*HEADER    BIOSYNTHETIC PROTEIN                    06-MAR-09   2KG6              
*TITLE     SOLUTION STRUCTURE OF THE ACETYL ACTINORHODIN ACYL CARRIER            
*TITLE    2 PROTEIN FROM STREPTOMYCES COELICOLOR                                 
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACTINORHODIN POLYKETIDE SYNTHASE ACYL CARRIER              
*COMPND   3 PROTEIN;                                                             
*COMPND   4 CHAIN: A;                                                            
*COMPND   5 SYNONYM: ACP, ACTI ORF3;                                             
*COMPND   6 ENGINEERED: YES;                                                     
*COMPND   7 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: STREPTOMYCES COELICOLOR;                        
*SOURCE   3 ORGANISM_TAXID: 1902;                                                
*SOURCE   4 STRAIN: A3(2);                                                       
*SOURCE   5 GENE: SCO5089, SCBAC28G1.15;                                         
*SOURCE   6 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   7 EXPRESSION_SYSTEM_TAXID: 562;                                        
*SOURCE   8 EXPRESSION_SYSTEM_STRAIN: BL21;                                      
*SOURCE   9 EXPRESSION_SYSTEM_VARIANT: DE3;                                      
*SOURCE  10 EXPRESSION_SYSTEM_VECTOR: PET 11C                                    
*KEYWDS    ACYL CARRIER PROTEIN, ACETYL, ACYLATED, POLYKETIDE,                   
*KEYWDS   2 ACTINORHODIN, ANTIBIOTIC BIOSYNTHESIS, PHOSPHOPANTETHEINE,           
*KEYWDS   3 BIOSYNTHETIC PROTEIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.P.CRUMP, S.E.EVANS, P.ELIZA, W.CHRISTOPHER                          
*REVDAT   1   14-APR-09 2KG6    0                                                


 ASSI {    7}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      3.300     1.400     1.400 peak     7 spectrum    1 weight  0.10000E+01 volume  0.14424E-02 ppm1      0.794 ppm2      8.267 CV     1
 ASSI {   15}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      2.700     2.700     3.300 peak    15 spectrum    1 weight  0.10000E+01 volume  0.12124E-02 ppm1      0.793 ppm2      3.894 CV     1
 ASSI {   16}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      2.600     0.800     0.800 peak    16 spectrum    1 weight  0.10000E+01 volume  0.26543E-02 ppm1      0.794 ppm2      3.742 CV     1
 ASSI {   24}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.200     1.300     1.300 peak    24 spectrum    1 weight  0.10000E+01 volume  0.11094E-02 ppm1      0.869 ppm2      7.309 CV     1
 ASSI {   26}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      2.700     0.900     0.900 peak    26 spectrum    1 weight  0.10000E+01 volume  0.24020E-02 ppm1      0.870 ppm2      7.113 CV     1
 ASSI {   27}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      3.200     1.200     1.200 peak    27 spectrum    1 weight  0.10000E+01 volume  0.25904E-02 ppm1      0.870 ppm2      6.964 CV     1
 ASSI {   28}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.200     1.300     1.300 peak    28 spectrum    1 weight  0.10000E+01 volume  0.14478E-02 ppm1      0.871 ppm2      6.750 CV     1
 ASSI {   36}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      2.600     0.800     0.800 peak    36 spectrum    1 weight  0.10000E+01 volume  0.34577E-02 ppm1      0.871 ppm2      4.367 CV     1
 ASSI {   41}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HA  ))
      3.100     1.200     1.200 peak    41 spectrum    1 weight  0.10000E+01 volume  0.19879E-02 ppm1      0.841 ppm2      3.743 CV     1
 ASSI {   44}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      3.200     1.300     1.300 peak    44 spectrum    1 weight  0.10000E+01 volume  0.12964E-02 ppm1      0.869 ppm2      2.798 CV     1
 ASSI {   46}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.65717E-02 ppm1      0.871 ppm2      2.452 CV     1
 ASSI {   52}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
      3.100     1.200     1.200 peak    52 spectrum    1 weight  0.10000E+01 volume  0.16176E-02 ppm1      0.796 ppm2      2.207 CV     1
 ASSI {   56}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG11))
      2.100     0.600     0.600 peak    56 spectrum    1 weight  0.10000E+01 volume  0.61498E-02 ppm1      0.794 ppm2      1.719 CV     1
 ASSI {   58}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      3.300     1.400     1.400 peak    58 spectrum    1 weight  0.10000E+01 volume  0.11944E-02 ppm1      0.841 ppm2      2.317 CV     1
 ASSI {   65}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG11))
      2.100     0.600     0.600 peak    65 spectrum    1 weight  0.10000E+01 volume  0.72254E-02 ppm1      0.869 ppm2      1.818 CV     1
 ASSI {   66}
   (  segid "    " and resid 60   and name HD1%)
   (  segid "    " and resid 81   and name HB% )
      3.000     1.100     1.100 peak    66 spectrum    1 weight  0.10000E+01 volume  0.26855E-02 ppm1      0.841 ppm2      1.630 CV     1
 ASSI {   67}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HG12))
      2.200     0.600     0.600 peak    67 spectrum    1 weight  0.10000E+01 volume  0.63630E-02 ppm1      0.867 ppm2      1.533 CV     1
 ASSI {   68}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG11))
      2.300     0.700     0.700 peak    68 spectrum    1 weight  0.10000E+01 volume  0.62252E-02 ppm1      0.847 ppm2      1.497 CV     1
 ASSI {   69}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
      3.900     1.900     1.900 peak    69 spectrum    1 weight  0.10000E+01 volume  0.13199E-02 ppm1      0.869 ppm2      1.378 CV     1
 ASSI {   78}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HG12))
      2.200     0.600     0.600 peak    78 spectrum    1 weight  0.10000E+01 volume  0.56902E-02 ppm1      0.793 ppm2      1.277 CV     1
 ASSI {   85}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 58   and name HG2%)
      2.200     0.600     0.600 peak    85 spectrum    1 weight  0.10000E+01 volume  0.51225E-02 ppm1      0.795 ppm2      0.988 CV     1
 ASSI {   89}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HG12))
      2.100     0.500     0.500 peak    89 spectrum    1 weight  0.10000E+01 volume  0.12381E-01 ppm1      0.842 ppm2      1.104 CV     1
 ASSI {   95}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      2.100     0.600     0.600 peak    95 spectrum    1 weight  0.10000E+01 volume  0.10427E-01 ppm1      0.867 ppm2      1.062 CV     1
 ASSI {   97}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
      2.500     2.500     3.500 peak    97 spectrum    1 weight  0.10000E+01 volume  0.21712E-02 ppm1      0.793 ppm2      0.603 CV     1
 ASSI {   98}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 26   and name HD1%)
      2.600     0.900     0.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.30403E-02 ppm1      0.873 ppm2      0.685 CV     1
 ASSI {  105}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 5    and name HD1%)
      2.300     0.700     0.700 peak   105 spectrum    1 weight  0.10000E+01 volume  0.48502E-02 ppm1      0.868 ppm2      0.619 CV     1
 OR {  105}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  119}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HB1 ))
      5.000     3.200     1.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.29014E-03 ppm1      0.874 ppm2      3.076 CV     1
 ASSI {  126}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 52   and name HB1 ))
      3.100     1.200     1.200 peak   126 spectrum    1 weight  0.10000E+01 volume  0.64823E-03 ppm1      0.871 ppm2      2.218 CV     1
 ASSI {  127}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      3.700     1.700     1.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.87705E-03 ppm1      0.869 ppm2      2.137 CV     1
 ASSI {  129}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HB  ))
      2.200     0.600     0.600 peak   129 spectrum    1 weight  0.10000E+01 volume  0.58306E-02 ppm1      0.868 ppm2      1.932 CV     1
 ASSI {  130}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG11))
      2.400     0.700     0.700 peak   130 spectrum    1 weight  0.10000E+01 volume  0.30829E-02 ppm1      0.868 ppm2      1.726 CV     1
 ASSI {  131}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HB1 ))
      3.500     1.500     1.500 peak   131 spectrum    1 weight  0.10000E+01 volume  0.27430E-02 ppm1      0.868 ppm2      1.594 CV     1
 ASSI {  132}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 52   and name HB2 ))
      3.600     1.600     1.600 peak   132 spectrum    1 weight  0.10000E+01 volume  0.10522E-02 ppm1      0.868 ppm2      1.451 CV     1
 ASSI {  133}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HB2 ))
      3.500     1.500     1.500 peak   133 spectrum    1 weight  0.10000E+01 volume  0.17493E-02 ppm1      0.869 ppm2      1.367 CV     1
 ASSI {  134}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HG12))
      3.100     1.200     1.200 peak   134 spectrum    1 weight  0.10000E+01 volume  0.39779E-02 ppm1      0.868 ppm2      1.291 CV     1
 ASSI {  156}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.700     0.900     0.900 peak   156 spectrum    1 weight  0.10000E+01 volume  0.28014E-02 ppm1      1.023 ppm2      2.207 CV     1
 ASSI {  161}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HB  ))
      2.300     0.600     0.600 peak   161 spectrum    1 weight  0.10000E+01 volume  0.62546E-02 ppm1      1.023 ppm2      1.786 CV     1
 ASSI {  168}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
      4.800     2.900     1.200 peak   168 spectrum    1 weight  0.10000E+01 volume  0.27971E-03 ppm1      1.530 ppm2      0.233 CV     1
 ASSI {  176}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      2.800     1.000     1.000 peak   176 spectrum    1 weight  0.10000E+01 volume  0.33042E-02 ppm1      1.523 ppm2      1.031 CV     1
 ASSI {  186}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.300     1.300 peak   186 spectrum    1 weight  0.10000E+01 volume  0.10919E-02 ppm1      0.869 ppm2      4.901 CV     1
 ASSI {  193}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 75   and name HA  ))
      4.000     2.000     2.000 peak   193 spectrum    1 weight  0.10000E+01 volume  0.10484E-02 ppm1      0.869 ppm2      3.883 CV     1
 ASSI {  194}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      2.300     0.700     0.700 peak   194 spectrum    1 weight  0.10000E+01 volume  0.55254E-02 ppm1      0.868 ppm2      3.739 CV     1
 ASSI {  195}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HB1 ))
      4.300     2.400     1.700 peak   195 spectrum    1 weight  0.10000E+01 volume  0.51153E-03 ppm1      0.872 ppm2      3.463 CV     1
 ASSI {  204}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      2.700     0.900     0.900 peak   204 spectrum    1 weight  0.10000E+01 volume  0.34395E-02 ppm1      1.024 ppm2      3.571 CV     1
 ASSI {  206}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HA  ))
      2.500     0.800     0.800 peak   206 spectrum    1 weight  0.10000E+01 volume  0.42573E-02 ppm1      1.023 ppm2      4.654 CV     1
 ASSI {  210}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 45   and name HA  ))
      3.500     1.600     1.600 peak   210 spectrum    1 weight  0.10000E+01 volume  0.92729E-03 ppm1      1.515 ppm2      3.887 CV     1
 ASSI {  211}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HA  ))
      2.100     0.600     0.600 peak   211 spectrum    1 weight  0.10000E+01 volume  0.99257E-02 ppm1      1.524 ppm2      3.949 CV     1
 ASSI {  212}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
      2.700     0.900     0.900 peak   212 spectrum    1 weight  0.10000E+01 volume  0.34666E-02 ppm1      1.519 ppm2      4.581 CV     1
 ASSI {  216}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 81   and name HN  ))
      4.500     2.500     1.500 peak   216 spectrum    1 weight  0.10000E+01 volume  0.29419E-03 ppm1      0.869 ppm2      7.559 CV     1
 ASSI {  217}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 56   and name HD% )
      3.700     1.700     1.700 peak   217 spectrum    1 weight  0.10000E+01 volume  0.64477E-03 ppm1      0.870 ppm2      7.437 CV     1
 ASSI {  218}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HD21))
      4.300     2.300     1.700 peak   218 spectrum    1 weight  0.10000E+01 volume  0.33810E-03 ppm1      0.870 ppm2      7.331 CV     1
 ASSI {  219}
   (  segid "    " and resid 78   and name HG2%)
   (  segid "    " and resid 56   and name HE% )
      3.600     1.600     1.600 peak   219 spectrum    1 weight  0.10000E+01 volume  0.22787E-03 ppm1      0.866 ppm2      6.806 CV     1
 ASSI {  220}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      4.700     2.700     1.300 peak   220 spectrum    1 weight  0.10000E+01 volume  0.40533E-03 ppm1      1.022 ppm2      7.406 CV     1
 ASSI {  224}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      3.000     1.100     1.100 peak   224 spectrum    1 weight  0.10000E+01 volume  0.17220E-02 ppm1      1.024 ppm2      8.209 CV     1
 ASSI {  228}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 5    and name HN  ))
      4.700     2.800     1.300 peak   228 spectrum    1 weight  0.10000E+01 volume  0.47993E-03 ppm1      0.864 ppm2      9.428 CV     1
 ASSI {  230}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 64   and name HB  ))
      4.200     2.200     1.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.94552E-03 ppm1      1.387 ppm2      2.196 CV     1
 ASSI {  236}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
      4.900     2.900     1.100 peak   236 spectrum    1 weight  0.10000E+01 volume  0.55611E-03 ppm1      1.521 ppm2      0.235 CV     1
 ASSI {  237}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 45   and name HD2%)
      4.000     2.000     2.000 peak   237 spectrum    1 weight  0.10000E+01 volume  0.49604E-03 ppm1      1.524 ppm2      0.356 CV     1
 ASSI {  249}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 60   and name HG2%)
      2.600     0.900     0.900 peak   249 spectrum    1 weight  0.10000E+01 volume  0.30132E-02 ppm1      1.387 ppm2      1.027 CV     1
 ASSI {  251}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 45   and name HD1%)
      4.000     2.000     2.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.60801E-03 ppm1      1.384 ppm2      0.242 CV     1
 ASSI {  254}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 5    and name HD1%)
      4.400     2.400     1.600 peak   254 spectrum    1 weight  0.10000E+01 volume  0.64596E-03 ppm1      1.669 ppm2      0.622 CV     1
 OR {  254}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  269}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HB1 ))
      3.800     1.800     1.800 peak   269 spectrum    1 weight  0.10000E+01 volume  0.76974E-03 ppm1      1.520 ppm2      3.004 CV     1
 ASSI {  270}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 40   and name HB2 ))
      3.800     1.800     1.800 peak   270 spectrum    1 weight  0.10000E+01 volume  0.15503E-02 ppm1      1.520 ppm2      2.789 CV     1
 ASSI {  272}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HD2 ))
      4.600     2.700     1.400 peak   272 spectrum    1 weight  0.10000E+01 volume  0.46550E-03 ppm1      1.670 ppm2      3.298 CV     1
 ASSI {  273}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 41   and name HB1 ))
      3.400     1.400     1.400 peak   273 spectrum    1 weight  0.10000E+01 volume  0.35711E-03 ppm1      1.519 ppm2      3.295 CV     1
 ASSI {  275}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 78   and name HA  ))
      2.700     0.900     0.900 peak   275 spectrum    1 weight  0.10000E+01 volume  0.31711E-02 ppm1      1.626 ppm2      3.739 CV     1
 ASSI {  277}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      3.000     1.100     1.100 peak   277 spectrum    1 weight  0.10000E+01 volume  0.16457E-02 ppm1      1.391 ppm2      4.255 CV     1
 ASSI {  279}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HA1 ))
      4.200     2.200     1.800 peak   279 spectrum    1 weight  0.10000E+01 volume  0.63687E-03 ppm1      1.391 ppm2      4.119 CV     1
 ASSI {  280}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HA  ))
      2.200     0.600     0.600 peak   280 spectrum    1 weight  0.10000E+01 volume  0.88583E-02 ppm1      1.391 ppm2      3.985 CV     1
 ASSI {  281}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 66   and name HA2 ))
      3.800     1.800     1.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.62019E-03 ppm1      1.391 ppm2      3.873 CV     1
 ASSI {  282}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 44   and name HA  ))
      2.200     0.600     0.600 peak   282 spectrum    1 weight  0.10000E+01 volume  0.11544E-01 ppm1      1.519 ppm2      4.307 CV     1
 ASSI {  284}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 17   and name HB2 ))
      4.000     2.000     2.000 peak   284 spectrum    1 weight  0.10000E+01 volume  0.62024E-03 ppm1      1.518 ppm2      4.061 CV     1
 ASSI {  285}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak   285 spectrum    1 weight  0.10000E+01 volume  0.41601E-02 ppm1      1.668 ppm2      4.209 CV     1
 ASSI {  287}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HB2 ))
      3.800     1.800     1.800 peak   287 spectrum    1 weight  0.10000E+01 volume  0.10306E-02 ppm1      1.645 ppm2      2.356 CV     1
 ASSI {  289}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HA  ))
      2.100     0.600     0.600 peak   289 spectrum    1 weight  0.10000E+01 volume  0.14393E-01 ppm1      1.625 ppm2      4.458 CV     1
 ASSI {  291}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 58   and name HA  ))
      3.700     1.700     1.700 peak   291 spectrum    1 weight  0.10000E+01 volume  0.64095E-03 ppm1      1.623 ppm2      4.666 CV     1
 ASSI {  293}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HN  ))
      2.200     0.600     0.600 peak   293 spectrum    1 weight  0.10000E+01 volume  0.89884E-02 ppm1      1.668 ppm2      7.705 CV     1
 ASSI {  294}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 81   and name HN  ))
      2.200     0.600     0.600 peak   294 spectrum    1 weight  0.10000E+01 volume  0.10266E-01 ppm1      1.625 ppm2      7.585 CV     1
 ASSI {  298}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      2.800     1.000     1.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.34137E-02 ppm1      1.519 ppm2      6.969 CV     1
 ASSI {  299}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 56   and name HE% )
      5.100     3.300     0.900 peak   299 spectrum    1 weight  0.10000E+01 volume  0.61518E-03 ppm1      1.668 ppm2      6.809 CV     1
 ASSI {  300}
   (  segid "    " and resid 44   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      3.100     1.200     1.200 peak   300 spectrum    1 weight  0.10000E+01 volume  0.16351E-02 ppm1      1.519 ppm2      6.750 CV     1
 ASSI {  302}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 41   and name HN  ))
      2.800     0.900     0.900 peak   302 spectrum    1 weight  0.10000E+01 volume  0.44613E-02 ppm1      1.519 ppm2      7.975 CV     1
 ASSI {  303}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 43   and name HN  ))
      4.300     2.300     1.700 peak   303 spectrum    1 weight  0.10000E+01 volume  0.87178E-03 ppm1      1.518 ppm2      7.791 CV     1
 ASSI {  306}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak   306 spectrum    1 weight  0.10000E+01 volume  0.51385E-02 ppm1      1.647 ppm2      8.113 CV     1
 ASSI {  311}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak   311 spectrum    1 weight  0.10000E+01 volume  0.41291E-02 ppm1      1.519 ppm2      8.462 CV     1
 ASSI {  312}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.700     0.900     0.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.36006E-02 ppm1      1.524 ppm2      8.230 CV     1
 ASSI {  314}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 49   and name HN  ))
      2.200     0.600     0.600 peak   314 spectrum    1 weight  0.10000E+01 volume  0.81131E-02 ppm1      1.524 ppm2      8.757 CV     1
 ASSI {  315}
   (  segid "    " and resid 81   and name HB% )
   (( segid "    " and resid 82   and name HN  ))
      2.600     0.900     0.900 peak   315 spectrum    1 weight  0.10000E+01 volume  0.43238E-02 ppm1      1.626 ppm2      8.274 CV     1
 ASSI {  316}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HN  ))
      2.200     0.600     0.600 peak   316 spectrum    1 weight  0.10000E+01 volume  0.11102E-01 ppm1      1.647 ppm2      8.228 CV     1
 ASSI {  320}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
      3.000     3.000     3.000 peak   320 spectrum    1 weight  0.10000E+01 volume  0.70633E-03 ppm1      1.519 ppm2      8.264 CV     1
 ASSI {  321}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 44   and name HN  ))
      2.200     0.600     0.600 peak   321 spectrum    1 weight  0.10000E+01 volume  0.97300E-02 ppm1      1.519 ppm2      8.156 CV     1
 ASSI {  326}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 84   and name HN  ))
      2.800     1.000     1.000 peak   326 spectrum    1 weight  0.10000E+01 volume  0.32403E-02 ppm1      1.603 ppm2      7.748 CV     1
 ASSI {  327}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HN  ))
      2.200     0.600     0.600 peak   327 spectrum    1 weight  0.10000E+01 volume  0.11649E-01 ppm1      1.603 ppm2      7.956 CV     1
 ASSI {  330}
   (  segid "    " and resid 38   and name HG2%)
   (  segid "    " and resid 40   and name HD% )
      5.000     3.100     1.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.67395E-03 ppm1      1.055 ppm2      6.977 CV     1
 ASSI {  334}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      2.400     0.700     0.700 peak   334 spectrum    1 weight  0.10000E+01 volume  0.69187E-02 ppm1      1.055 ppm2      4.662 CV     1
 ASSI {  337}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 83   and name HA  ))
      2.200     0.600     0.600 peak   337 spectrum    1 weight  0.10000E+01 volume  0.12764E-01 ppm1      1.603 ppm2      4.279 CV     1
 ASSI {  338}
   (  segid "    " and resid 83   and name HB% )
   (( segid "    " and resid 80   and name HA2 ))
      2.600     0.900     0.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.29061E-02 ppm1      1.603 ppm2      4.021 CV     1
 ASSI {  344}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak   344 spectrum    1 weight  0.10000E+01 volume  0.50780E-02 ppm1      1.055 ppm2      2.453 CV     1
 ASSI {  349}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HG12))
      2.500     0.800     0.800 peak   349 spectrum    1 weight  0.10000E+01 volume  0.37003E-02 ppm1      1.058 ppm2      1.535 CV     1
 ASSI {  351}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 33   and name HB2 ))
      2.900     1.100     1.100 peak   351 spectrum    1 weight  0.10000E+01 volume  0.22841E-02 ppm1      1.055 ppm2      1.412 CV     1
 ASSI {  360}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HB  ))
      2.100     0.600     0.600 peak   360 spectrum    1 weight  0.10000E+01 volume  0.99675E-02 ppm1      1.205 ppm2      2.408 CV     1
 ASSI {  366}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 45   and name HD2%)
      2.600     0.900     0.900 peak   366 spectrum    1 weight  0.10000E+01 volume  0.36683E-02 ppm1      1.205 ppm2      0.354 CV     1
 ASSI {  367}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      2.600     0.900     0.900 peak   367 spectrum    1 weight  0.10000E+01 volume  0.30928E-02 ppm1      1.205 ppm2      0.232 CV     1
 ASSI {  368}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 74   and name HD1%)
      2.200     0.600     0.600 peak   368 spectrum    1 weight  0.10000E+01 volume  0.11008E-01 ppm1      1.205 ppm2      1.089 CV     1
 OR {  368}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  372}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 81   and name HB% )
      2.500     0.800     0.800 peak   372 spectrum    1 weight  0.10000E+01 volume  0.45557E-02 ppm1      0.919 ppm2      1.623 CV     1
 ASSI {  373}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 60   and name HG11))
      3.900     1.900     1.900 peak   373 spectrum    1 weight  0.10000E+01 volume  0.14730E-02 ppm1      0.919 ppm2      1.492 CV     1
 ASSI {  374}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HG  ))
      3.200     1.300     1.300 peak   374 spectrum    1 weight  0.10000E+01 volume  0.11603E-02 ppm1      0.919 ppm2      1.829 CV     1
 ASSI {  376}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 77   and name HG  ))
      4.100     2.100     1.900 peak   376 spectrum    1 weight  0.10000E+01 volume  0.87003E-03 ppm1      1.205 ppm2      1.799 CV     1
 ASSI {  377}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HB2 ))
      2.400     0.700     0.700 peak   377 spectrum    1 weight  0.10000E+01 volume  0.39259E-02 ppm1      1.205 ppm2      1.696 CV     1
 ASSI {  378}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 77   and name HB1 ))
      4.600     2.700     1.400 peak   378 spectrum    1 weight  0.10000E+01 volume  0.64023E-03 ppm1      1.205 ppm2      2.047 CV     1
 ASSI {  379}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HB  ))
      2.100     0.600     0.600 peak   379 spectrum    1 weight  0.10000E+01 volume  0.79597E-02 ppm1      0.919 ppm2      2.131 CV     1
 ASSI {  380}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HG2 ))
      4.200     2.200     1.800 peak   380 spectrum    1 weight  0.10000E+01 volume  0.18219E-02 ppm1      0.920 ppm2      2.327 CV     1
 ASSI {  382}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HB1 ))
      4.900     3.000     1.100 peak   382 spectrum    1 weight  0.10000E+01 volume  0.75394E-03 ppm1      0.920 ppm2      2.504 CV     1
 ASSI {  384}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HA  ))
      3.700     1.700     1.700 peak   384 spectrum    1 weight  0.10000E+01 volume  0.78152E-03 ppm1      0.919 ppm2      4.213 CV     1
 ASSI {  385}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HA  ))
      2.900     1.100     1.100 peak   385 spectrum    1 weight  0.10000E+01 volume  0.48901E-02 ppm1      0.919 ppm2      4.089 CV     1
 ASSI {  386}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 78   and name HA  ))
      3.200     1.300     1.300 peak   386 spectrum    1 weight  0.10000E+01 volume  0.14684E-02 ppm1      0.919 ppm2      3.741 CV     1
 ASSI {  387}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB1 ))
      3.700     1.700     1.700 peak   387 spectrum    1 weight  0.10000E+01 volume  0.10589E-02 ppm1      0.920 ppm2      3.458 CV     1
 ASSI {  388}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.200     1.200 peak   388 spectrum    1 weight  0.10000E+01 volume  0.22458E-02 ppm1      1.206 ppm2      4.304 CV     1
 ASSI {  389}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      2.700     0.900     0.900 peak   389 spectrum    1 weight  0.10000E+01 volume  0.20989E-02 ppm1      1.205 ppm2      3.985 CV     1
 ASSI {  390}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
      3.300     1.300     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.44650E-03 ppm1      1.206 ppm2      3.843 CV     1
 ASSI {  393}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.26172E-02 ppm1      1.540 ppm2      3.937 CV     1
 ASSI {  399}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HA  ))
      3.200     1.200     1.200 peak   399 spectrum    1 weight  0.10000E+01 volume  0.31131E-02 ppm1      1.204 ppm2      4.440 CV     1
 ASSI {  400}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.29018E-02 ppm1      0.919 ppm2      4.679 CV     1
 ASSI {  401}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 81   and name HA  ))
      5.600     3.900     0.400 peak   401 spectrum    1 weight  0.10000E+01 volume  0.29158E-03 ppm1      0.920 ppm2      4.462 CV     1
 ASSI {  402}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HA  ))
      2.200     0.600     0.600 peak   402 spectrum    1 weight  0.10000E+01 volume  0.12304E-01 ppm1      1.541 ppm2      4.367 CV     1
 ASSI {  404}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 17   and name HB1 ))
      4.300     2.300     1.700 peak   404 spectrum    1 weight  0.10000E+01 volume  0.66755E-03 ppm1      1.542 ppm2      4.165 CV     1
 ASSI {  405}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HA  ))
      3.200     1.300     1.300 peak   405 spectrum    1 weight  0.10000E+01 volume  0.16500E-02 ppm1      1.477 ppm2      4.222 CV     1
 ASSI {  406}
   (  segid "    " and resid 2    and name HB% )
   (( segid "    " and resid 2    and name HA  ))
      2.500     0.800     0.800 peak   406 spectrum    1 weight  0.10000E+01 volume  0.51269E-02 ppm1      1.645 ppm2      4.280 CV     1
 ASSI {  409}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HA  ))
      2.500     0.800     0.800 peak   409 spectrum    1 weight  0.10000E+01 volume  0.69032E-02 ppm1      1.568 ppm2      4.472 CV     1
 ASSI {  411}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HA  ))
      5.000     3.100     1.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.46562E-03 ppm1      0.918 ppm2      4.838 CV     1
 ASSI {  412}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      4.200     2.200     1.800 peak   412 spectrum    1 weight  0.10000E+01 volume  0.34648E-03 ppm1      1.205 ppm2      5.266 CV     1
 ASSI {  413}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HD% )
      3.900     1.900     1.900 peak   413 spectrum    1 weight  0.10000E+01 volume  0.10352E-02 ppm1      1.542 ppm2      6.969 CV     1
 ASSI {  414}
   (  segid "    " and resid 18   and name HB% )
   (  segid "    " and resid 40   and name HE% )
      2.900     1.000     1.000 peak   414 spectrum    1 weight  0.10000E+01 volume  0.26311E-02 ppm1      1.541 ppm2      6.751 CV     1
 ASSI {  416}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 68   and name HN  ))
      2.200     0.600     0.600 peak   416 spectrum    1 weight  0.10000E+01 volume  0.56375E-02 ppm1      1.205 ppm2      7.325 CV     1
 ASSI {  418}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HD% )
      3.300     1.300     1.300 peak   418 spectrum    1 weight  0.10000E+01 volume  0.13251E-02 ppm1      1.206 ppm2      7.117 CV     1
 ASSI {  419}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 35   and name HE% )
      2.600     0.900     0.900 peak   419 spectrum    1 weight  0.10000E+01 volume  0.35099E-02 ppm1      1.205 ppm2      6.918 CV     1
 ASSI {  420}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 66   and name HN  ))
      4.700     2.800     1.300 peak   420 spectrum    1 weight  0.10000E+01 volume  0.26529E-03 ppm1      1.206 ppm2      8.030 CV     1
 ASSI {  421}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 73   and name HN  ))
      5.300     3.500     0.700 peak   421 spectrum    1 weight  0.10000E+01 volume  0.25757E-03 ppm1      1.205 ppm2      7.837 CV     1
 ASSI {  422}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HN  ))
      3.900     1.900     1.900 peak   422 spectrum    1 weight  0.10000E+01 volume  0.83300E-03 ppm1      1.205 ppm2      7.710 CV     1
 ASSI {  423}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 58   and name HN  ))
      2.400     0.700     0.700 peak   423 spectrum    1 weight  0.10000E+01 volume  0.49340E-02 ppm1      0.920 ppm2      7.528 CV     1
 ASSI {  424}
   (  segid "    " and resid 58   and name HG1%)
   (  segid "    " and resid 56   and name HD% )
      4.200     2.200     1.800 peak   424 spectrum    1 weight  0.10000E+01 volume  0.67410E-03 ppm1      0.919 ppm2      7.432 CV     1
 ASSI {  426}
   (  segid "    " and resid 86   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.300     1.300 peak   426 spectrum    1 weight  0.10000E+01 volume  0.14871E-02 ppm1      1.479 ppm2      7.974 CV     1
 ASSI {  428}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 85   and name HN  ))
      2.400     0.700     0.700 peak   428 spectrum    1 weight  0.10000E+01 volume  0.87560E-02 ppm1      1.567 ppm2      7.828 CV     1
 ASSI {  429}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 84   and name HN  ))
      3.100     3.100     2.900 peak   429 spectrum    1 weight  0.10000E+01 volume  0.60568E-03 ppm1      1.564 ppm2      7.719 CV     1
 ASSI {  430}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 86   and name HN  ))
      3.400     1.400     1.400 peak   430 spectrum    1 weight  0.10000E+01 volume  0.12473E-02 ppm1      1.567 ppm2      7.962 CV     1
 ASSI {  432}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HN  ))
      2.900     1.000     1.000 peak   432 spectrum    1 weight  0.10000E+01 volume  0.26382E-02 ppm1      1.541 ppm2      8.242 CV     1
 ASSI {  434}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 65   and name HN  ))
      4.800     2.900     1.200 peak   434 spectrum    1 weight  0.10000E+01 volume  0.26735E-03 ppm1      1.205 ppm2      8.220 CV     1
 ASSI {  435}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 59   and name HN  ))
      4.000     2.000     2.000 peak   435 spectrum    1 weight  0.10000E+01 volume  0.19438E-02 ppm1      0.919 ppm2      8.480 CV     1
 ASSI {  437}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HN  ))
      4.100     2.100     1.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.63026E-03 ppm1      0.919 ppm2      8.133 CV     1
 ASSI {  439}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HN  ))
      4.900     3.000     1.100 peak   439 spectrum    1 weight  0.10000E+01 volume  0.42111E-03 ppm1      0.915 ppm2      8.959 CV     1
 ASSI {  449}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 45   and name HD2%)
      4.000     2.000     2.000 peak   449 spectrum    1 weight  0.10000E+01 volume  0.64932E-03 ppm1      1.122 ppm2      0.347 CV     1
 ASSI {  450}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 45   and name HD1%)
      4.700     2.700     1.300 peak   450 spectrum    1 weight  0.10000E+01 volume  0.42505E-03 ppm1      1.125 ppm2      0.236 CV     1
 ASSI {  453}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 14   and name HD1%)
      2.300     0.700     0.700 peak   453 spectrum    1 weight  0.10000E+01 volume  0.68015E-02 ppm1      1.125 ppm2      0.761 CV     1
 ASSI {  454}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 26   and name HD1%)
      3.000     1.100     1.100 peak   454 spectrum    1 weight  0.10000E+01 volume  0.24831E-02 ppm1      1.277 ppm2      0.692 CV     1
 ASSI {  456}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 13   and name HB% )
      2.300     0.700     0.700 peak   456 spectrum    1 weight  0.10000E+01 volume  0.61658E-02 ppm1      1.124 ppm2      1.667 CV     1
 ASSI {  458}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 60   and name HG11))
      3.700     3.700     2.300 peak   458 spectrum    1 weight  0.10000E+01 volume  0.12461E-02 ppm1      1.123 ppm2      1.477 CV     1
 ASSI {  463}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HB  ))
      2.100     0.500     0.500 peak   463 spectrum    1 weight  0.10000E+01 volume  0.66806E-02 ppm1      0.969 ppm2      2.132 CV     1
 ASSI {  464}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HB  ))
      2.200     0.600     0.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.61487E-02 ppm1      0.975 ppm2      2.207 CV     1
 ASSI {  465}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HB  ))
      2.200     0.600     0.600 peak   465 spectrum    1 weight  0.10000E+01 volume  0.94134E-02 ppm1      1.035 ppm2      2.272 CV     1
 ASSI {  466}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
      2.300     0.600     0.600 peak   466 spectrum    1 weight  0.10000E+01 volume  0.76721E-02 ppm1      1.412 ppm2      4.848 CV     1
 ASSI {  467}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 5    and name HA  ))
      3.200     1.300     1.300 peak   467 spectrum    1 weight  0.10000E+01 volume  0.14906E-02 ppm1      1.411 ppm2      4.524 CV     1
 ASSI {  468}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 24   and name HA  ))
      3.000     1.100     1.100 peak   468 spectrum    1 weight  0.10000E+01 volume  0.59076E-02 ppm1      1.276 ppm2      4.330 CV     1
 ASSI {  471}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HB  ))
      2.300     0.700     0.700 peak   471 spectrum    1 weight  0.10000E+01 volume  0.86837E-02 ppm1      1.240 ppm2      4.367 CV     1
 ASSI {  473}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 38   and name HB  ))
      3.300     1.400     1.400 peak   473 spectrum    1 weight  0.10000E+01 volume  0.89213E-03 ppm1      1.276 ppm2      2.453 CV     1
 ASSI {  476}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB2 ))
      2.600     0.900     0.900 peak   476 spectrum    1 weight  0.10000E+01 volume  0.33993E-02 ppm1      1.073 ppm2      2.873 CV     1
 ASSI {  477}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HB1 ))
      3.200     1.200     1.200 peak   477 spectrum    1 weight  0.10000E+01 volume  0.28049E-02 ppm1      1.074 ppm2      3.009 CV     1
 ASSI {  478}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HG1 ))
      3.800     1.800     1.800 peak   478 spectrum    1 weight  0.10000E+01 volume  0.11425E-02 ppm1      1.074 ppm2      1.953 CV     1
 ASSI {  481}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HG2 ))
      3.800     1.800     1.800 peak   481 spectrum    1 weight  0.10000E+01 volume  0.77361E-03 ppm1      1.036 ppm2      2.390 CV     1
 ASSI {  485}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HD1 ))
      3.100     3.100     2.900 peak   485 spectrum    1 weight  0.10000E+01 volume  0.54377E-03 ppm1      1.073 ppm2      3.440 CV     1
 ASSI {  489}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HA  ))
      2.500     0.800     0.800 peak   489 spectrum    1 weight  0.10000E+01 volume  0.43988E-02 ppm1      0.975 ppm2      3.825 CV     1
 ASSI {  491}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.400     1.400 peak   491 spectrum    1 weight  0.10000E+01 volume  0.12488E-02 ppm1      1.034 ppm2      4.204 CV     1
 ASSI {  493}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HA  ))
      2.500     0.800     0.800 peak   493 spectrum    1 weight  0.10000E+01 volume  0.55549E-02 ppm1      1.034 ppm2      3.936 CV     1
 ASSI {  498}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HA  ))
      2.900     1.100     1.100 peak   498 spectrum    1 weight  0.10000E+01 volume  0.45883E-02 ppm1      0.969 ppm2      4.680 CV     1
 ASSI {  505}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 17   and name HB2 ))
      3.200     1.300     1.300 peak   505 spectrum    1 weight  0.10000E+01 volume  0.44862E-03 ppm1      1.127 ppm2      4.061 CV     1
 ASSI {  506}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.200     1.200 peak   506 spectrum    1 weight  0.10000E+01 volume  0.21837E-02 ppm1      1.073 ppm2      5.045 CV     1
 ASSI {  507}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HA  ))
      2.600     0.800     0.800 peak   507 spectrum    1 weight  0.10000E+01 volume  0.38850E-02 ppm1      1.073 ppm2      4.953 CV     1
 ASSI {  508}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HA  ))
      2.700     0.900     0.900 peak   508 spectrum    1 weight  0.10000E+01 volume  0.41953E-02 ppm1      1.073 ppm2      4.734 CV     1
 ASSI {  509}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HB  ))
      2.300     0.700     0.700 peak   509 spectrum    1 weight  0.10000E+01 volume  0.68454E-02 ppm1      1.073 ppm2      4.623 CV     1
 ASSI {  511}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 23   and name HA2 ))
      3.000     1.200     1.200 peak   511 spectrum    1 weight  0.10000E+01 volume  0.67586E-03 ppm1      1.276 ppm2      4.070 CV     1
 OR {  511}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 23   and name HA1 ))
 ASSI {  512}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HA  ))
      3.200     1.300     1.300 peak   512 spectrum    1 weight  0.10000E+01 volume  0.50184E-03 ppm1      1.073 ppm2      5.263 CV     1
 ASSI {  513}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      4.000     2.000     2.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.34906E-03 ppm1      1.276 ppm2      6.742 CV     1
 ASSI {  515}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 40   and name HE% )
      3.000     1.100     1.100 peak   515 spectrum    1 weight  0.10000E+01 volume  0.77108E-03 ppm1      1.125 ppm2      6.751 CV     1
 ASSI {  516}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
      2.900     1.100     1.100 peak   516 spectrum    1 weight  0.10000E+01 volume  0.25125E-02 ppm1      1.073 ppm2      7.474 CV     1
 ASSI {  518}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 58   and name HN  ))
      2.900     1.100     1.100 peak   518 spectrum    1 weight  0.10000E+01 volume  0.16739E-02 ppm1      0.968 ppm2      7.529 CV     1
 ASSI {  519}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 64   and name HN  ))
      3.800     1.800     1.800 peak   519 spectrum    1 weight  0.10000E+01 volume  0.20782E-02 ppm1      0.975 ppm2      7.402 CV     1
 ASSI {  523}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HN  ))
      5.000     3.100     1.000 peak   523 spectrum    1 weight  0.10000E+01 volume  0.28104E-03 ppm1      1.411 ppm2      7.894 CV     1
 ASSI {  525}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.400     1.400 peak   525 spectrum    1 weight  0.10000E+01 volume  0.21886E-02 ppm1      1.035 ppm2      8.218 CV     1
 ASSI {  526}
   (  segid "    " and resid 64   and name HG1%)
   (( segid "    " and resid 65   and name HN  ))
      3.100     1.200     1.200 peak   526 spectrum    1 weight  0.10000E+01 volume  0.26693E-02 ppm1      0.975 ppm2      8.218 CV     1
 ASSI {  527}
   (  segid "    " and resid 58   and name HG2%)
   (( segid "    " and resid 59   and name HN  ))
      3.500     1.500     1.500 peak   527 spectrum    1 weight  0.10000E+01 volume  0.11772E-02 ppm1      0.971 ppm2      8.483 CV     1
 ASSI {  529}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 15   and name HN  ))
      3.800     1.800     1.800 peak   529 spectrum    1 weight  0.10000E+01 volume  0.24866E-02 ppm1      1.033 ppm2      8.459 CV     1
 ASSI {  533}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HN  ))
      4.200     2.200     1.800 peak   533 spectrum    1 weight  0.10000E+01 volume  0.42896E-03 ppm1      1.124 ppm2      8.120 CV     1
 ASSI {  534}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
      3.300     1.300     1.300 peak   534 spectrum    1 weight  0.10000E+01 volume  0.18688E-02 ppm1      1.125 ppm2      8.756 CV     1
 ASSI {  536}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 21   and name HN  ))
      3.100     1.200     1.200 peak   536 spectrum    1 weight  0.10000E+01 volume  0.22863E-02 ppm1      1.239 ppm2      8.252 CV     1
 ASSI {  539}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HN  ))
      3.300     1.300     1.300 peak   539 spectrum    1 weight  0.10000E+01 volume  0.17733E-02 ppm1      1.275 ppm2      8.604 CV     1
 ASSI {  540}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
      4.300     2.300     1.700 peak   540 spectrum    1 weight  0.10000E+01 volume  0.15700E-02 ppm1      1.410 ppm2      8.836 CV     1
 ASSI {  541}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      4.800     2.900     1.200 peak   541 spectrum    1 weight  0.10000E+01 volume  0.60811E-03 ppm1      1.412 ppm2      8.247 CV     1
 ASSI {  542}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HN  ))
      2.600     0.800     0.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.46772E-02 ppm1      1.412 ppm2      9.032 CV     1
 ASSI {  543}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 69   and name HN  ))
      3.900     1.900     1.900 peak   543 spectrum    1 weight  0.10000E+01 volume  0.94568E-03 ppm1      1.073 ppm2      9.100 CV     1
 ASSI {  544}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 72   and name HN  ))
      4.700     2.700     1.300 peak   544 spectrum    1 weight  0.10000E+01 volume  0.64767E-03 ppm1      1.073 ppm2      8.997 CV     1
 ASSI {  545}
   (  segid "    " and resid 24   and name HG2%)
   (  segid "    " and resid 40   and name HD% )
      4.600     2.600     1.400 peak   545 spectrum    1 weight  0.10000E+01 volume  0.24023E-03 ppm1      1.275 ppm2      6.979 CV     1
 ASSI {  546}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 26   and name HD2%)
      2.800     1.000     1.000 peak   546 spectrum    1 weight  0.10000E+01 volume  0.29904E-02 ppm1      1.111 ppm2      0.803 CV     1
 ASSI {  547}
   (  segid "    " and resid 15   and name HG2%)
   (  segid "    " and resid 26   and name HD1%)
      3.900     1.900     1.900 peak   547 spectrum    1 weight  0.10000E+01 volume  0.10980E-02 ppm1      1.112 ppm2      0.696 CV     1
 ASSI {  550}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
      2.300     0.700     0.700 peak   550 spectrum    1 weight  0.10000E+01 volume  0.10197E-01 ppm1      1.063 ppm2      1.699 CV     1
 OR {  550}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  551}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HG  ))
      2.100     0.600     0.600 peak   551 spectrum    1 weight  0.10000E+01 volume  0.10330E-01 ppm1      0.952 ppm2      1.771 CV     1
 OR {  551}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  552}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HB2 ))
      2.600     0.900     0.900 peak   552 spectrum    1 weight  0.10000E+01 volume  0.38541E-02 ppm1      0.952 ppm2      1.410 CV     1
 ASSI {  554}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HG1 ))
      3.100     1.200     1.200 peak   554 spectrum    1 weight  0.10000E+01 volume  0.26740E-02 ppm1      1.111 ppm2      1.410 CV     1
 ASSI {  560}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      2.200     0.600     0.600 peak   560 spectrum    1 weight  0.10000E+01 volume  0.73504E-02 ppm1      1.028 ppm2      2.211 CV     1
 ASSI {  565}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HB  ))
      2.100     0.600     0.600 peak   565 spectrum    1 weight  0.10000E+01 volume  0.10608E-01 ppm1      1.111 ppm2      2.269 CV     1
 ASSI {  566}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HB1 ))
      2.700     0.900     0.900 peak   566 spectrum    1 weight  0.10000E+01 volume  0.29238E-02 ppm1      1.063 ppm2      2.417 CV     1
 OR {  566}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  568}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      3.900     1.900     1.900 peak   568 spectrum    1 weight  0.10000E+01 volume  0.50888E-03 ppm1      1.111 ppm2      3.509 CV     1
 ASSI {  569}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HD2 ))
      3.800     1.800     1.800 peak   569 spectrum    1 weight  0.10000E+01 volume  0.75585E-03 ppm1      1.112 ppm2      3.195 CV     1
 OR {  569}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {  570}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 61   and name HD2 ))
      2.900     1.100     1.100 peak   570 spectrum    1 weight  0.10000E+01 volume  0.11279E-02 ppm1      1.028 ppm2      3.567 CV     1
 ASSI {  572}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
      2.200     0.600     0.600 peak   572 spectrum    1 weight  0.10000E+01 volume  0.85133E-02 ppm1      1.063 ppm2      4.305 CV     1
 OR {  572}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  573}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HA  ))
      4.800     2.900     1.200 peak   573 spectrum    1 weight  0.10000E+01 volume  0.66011E-03 ppm1      1.112 ppm2      4.206 CV     1
 ASSI {  574}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak   574 spectrum    1 weight  0.10000E+01 volume  0.41243E-02 ppm1      1.112 ppm2      4.036 CV     1
 ASSI {  576}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HA  ))
      2.400     0.700     0.700 peak   576 spectrum    1 weight  0.10000E+01 volume  0.82427E-02 ppm1      1.112 ppm2      3.936 CV     1
 ASSI {  577}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 33   and name HA  ))
      3.000     1.100     1.100 peak   577 spectrum    1 weight  0.10000E+01 volume  0.78136E-02 ppm1      0.952 ppm2      4.317 CV     1
 ASSI {  579}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HA  ))
      2.400     0.700     0.700 peak   579 spectrum    1 weight  0.10000E+01 volume  0.61425E-02 ppm1      1.028 ppm2      3.827 CV     1
 ASSI {  580}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
      3.900     1.900     1.900 peak   580 spectrum    1 weight  0.10000E+01 volume  0.82117E-03 ppm1      0.951 ppm2      4.739 CV     1
 ASSI {  584}
   (  segid "    " and resid 64   and name HG2%)
   (( segid "    " and resid 64   and name HN  ))
      2.300     0.700     0.700 peak   584 spectrum    1 weight  0.10000E+01 volume  0.48141E-02 ppm1      1.028 ppm2      7.402 CV     1
 ASSI {  586}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 78   and name HN  ))
      4.200     2.200     1.800 peak   586 spectrum    1 weight  0.10000E+01 volume  0.55275E-03 ppm1      1.059 ppm2      8.261 CV     1
 OR {  586}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  587}
   (  segid "    " and resid 33   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
      3.600     1.600     1.600 peak   587 spectrum    1 weight  0.10000E+01 volume  0.20583E-02 ppm1      0.952 ppm2      8.449 CV     1
 ASSI {  589}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 15   and name HN  ))
      2.100     0.600     0.600 peak   589 spectrum    1 weight  0.10000E+01 volume  0.95218E-02 ppm1      1.112 ppm2      8.453 CV     1
 ASSI {  590}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
      3.900     1.900     1.900 peak   590 spectrum    1 weight  0.10000E+01 volume  0.20684E-02 ppm1      1.112 ppm2      8.222 CV     1
 ASSI {  598}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
      4.100     2.100     1.900 peak   598 spectrum    1 weight  0.10000E+01 volume  0.48727E-03 ppm1      1.062 ppm2      6.893 CV     1
 OR {  598}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  600}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 45   and name HD1%)
      3.100     1.200     1.200 peak   600 spectrum    1 weight  0.10000E+01 volume  0.61172E-03 ppm1      1.060 ppm2      0.237 CV     1
 OR {  600}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 45   and name HD1%)
 ASSI {  603}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 74   and name HD1%)
      3.000     1.100     1.100 peak   603 spectrum    1 weight  0.10000E+01 volume  0.21578E-02 ppm1      0.352 ppm2      1.084 CV     1
 OR {  603}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  609}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HG  ))
      2.400     0.700     0.700 peak   609 spectrum    1 weight  0.10000E+01 volume  0.51867E-02 ppm1      0.457 ppm2      1.188 CV     1
 ASSI {  610}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB2 ))
      2.600     0.800     0.800 peak   610 spectrum    1 weight  0.10000E+01 volume  0.37091E-02 ppm1      0.457 ppm2      1.029 CV     1
 ASSI {  611}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HG  ))
      2.300     0.700     0.700 peak   611 spectrum    1 weight  0.10000E+01 volume  0.64751E-02 ppm1      0.690 ppm2      1.572 CV     1
 ASSI {  613}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
      2.500     0.800     0.800 peak   613 spectrum    1 weight  0.10000E+01 volume  0.39080E-02 ppm1      0.758 ppm2      1.438 CV     1
 ASSI {  614}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      3.700     1.700     1.700 peak   614 spectrum    1 weight  0.10000E+01 volume  0.22156E-02 ppm1      0.882 ppm2      2.007 CV     1
 ASSI {  617}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HB2 ))
      2.800     1.000     1.000 peak   617 spectrum    1 weight  0.10000E+01 volume  0.31968E-02 ppm1      1.130 ppm2      1.703 CV     1
 ASSI {  621}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 45   and name HD2%)
      4.000     2.000     2.000 peak   621 spectrum    1 weight  0.10000E+01 volume  0.10880E-02 ppm1      1.129 ppm2      0.354 CV     1
 ASSI {  622}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 45   and name HD1%)
      4.200     2.200     1.800 peak   622 spectrum    1 weight  0.10000E+01 volume  0.97718E-03 ppm1      1.132 ppm2      0.231 CV     1
 ASSI {  624}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 45   and name HD1%)
      3.700     3.700     2.300 peak   624 spectrum    1 weight  0.10000E+01 volume  0.15577E-02 ppm1      0.758 ppm2      0.235 CV     1
 ASSI {  629}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 31   and name HD1%)
      2.600     0.900     0.900 peak   629 spectrum    1 weight  0.10000E+01 volume  0.42017E-02 ppm1      1.383 ppm2      0.455 CV     1
 ASSI {  630}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HB2 ))
      2.800     1.000     1.000 peak   630 spectrum    1 weight  0.10000E+01 volume  0.66972E-02 ppm1      0.985 ppm2      1.560 CV     1
 ASSI {  631}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
      2.500     0.800     0.800 peak   631 spectrum    1 weight  0.10000E+01 volume  0.55353E-02 ppm1      1.036 ppm2      0.628 CV     1
 OR {  631}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 5    and name HD2%)
 ASSI {  632}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HG  ))
      2.300     0.700     0.700 peak   632 spectrum    1 weight  0.10000E+01 volume  0.59251E-02 ppm1      0.985 ppm2      1.838 CV     1
 ASSI {  638}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 45   and name HD2%)
      3.800     1.800     1.800 peak   638 spectrum    1 weight  0.10000E+01 volume  0.77320E-03 ppm1      0.757 ppm2      0.350 CV     1
 ASSI {  640}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 10   and name HD1%)
      2.800     1.000     1.000 peak   640 spectrum    1 weight  0.10000E+01 volume  0.29841E-02 ppm1      0.757 ppm2      1.024 CV     1
 ASSI {  641}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
      2.400     0.700     0.700 peak   641 spectrum    1 weight  0.10000E+01 volume  0.66274E-02 ppm1      0.757 ppm2      0.876 CV     1
 ASSI {  643}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 38   and name HG2%)
      2.600     0.900     0.900 peak   643 spectrum    1 weight  0.10000E+01 volume  0.43497E-02 ppm1      0.689 ppm2      1.049 CV     1
 ASSI {  645}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 31   and name HD2%)
      2.300     0.700     0.700 peak   645 spectrum    1 weight  0.10000E+01 volume  0.98198E-02 ppm1      0.457 ppm2      0.785 CV     1
 ASSI {  648}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HG  ))
      2.300     0.600     0.600 peak   648 spectrum    1 weight  0.10000E+01 volume  0.51154E-02 ppm1      0.351 ppm2      1.344 CV     1
 ASSI {  649}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB2 ))
      2.700     0.900     0.900 peak   649 spectrum    1 weight  0.10000E+01 volume  0.29137E-02 ppm1      0.234 ppm2      1.506 CV     1
 ASSI {  650}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
      2.300     0.700     0.700 peak   650 spectrum    1 weight  0.10000E+01 volume  0.50574E-02 ppm1      0.233 ppm2      1.351 CV     1
 ASSI {  653}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 26   and name HD2%)
      2.500     0.800     0.800 peak   653 spectrum    1 weight  0.10000E+01 volume  0.51655E-02 ppm1      0.689 ppm2      0.799 CV     1
 ASSI {  657}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB2 ))
      2.600     0.900     0.900 peak   657 spectrum    1 weight  0.10000E+01 volume  0.45467E-02 ppm1      0.881 ppm2      1.471 CV     1
 ASSI {  668}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      3.300     1.400     1.400 peak   668 spectrum    1 weight  0.10000E+01 volume  0.29199E-02 ppm1      1.043 ppm2      2.330 CV     1
 ASSI {  669}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB1 ))
      3.600     1.600     1.600 peak   669 spectrum    1 weight  0.10000E+01 volume  0.23483E-02 ppm1      0.458 ppm2      2.232 CV     1
 ASSI {  670}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HB2 ))
      2.800     1.000     1.000 peak   670 spectrum    1 weight  0.10000E+01 volume  0.33583E-02 ppm1      0.457 ppm2      2.015 CV     1
 ASSI {  671}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB1 ))
      4.200     2.200     1.800 peak   671 spectrum    1 weight  0.10000E+01 volume  0.14404E-02 ppm1      0.458 ppm2      1.871 CV     1
 ASSI {  673}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB1 ))
      2.600     0.800     0.800 peak   673 spectrum    1 weight  0.10000E+01 volume  0.27122E-02 ppm1      0.352 ppm2      1.634 CV     1
 ASSI {  674}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HB1 ))
      2.600     0.800     0.800 peak   674 spectrum    1 weight  0.10000E+01 volume  0.31858E-02 ppm1      0.233 ppm2      1.632 CV     1
 ASSI {  675}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HB1 ))
      3.100     1.200     1.200 peak   675 spectrum    1 weight  0.10000E+01 volume  0.30383E-02 ppm1      0.758 ppm2      1.978 CV     1
 ASSI {  677}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
      3.500     1.500     1.500 peak   677 spectrum    1 weight  0.10000E+01 volume  0.98926E-03 ppm1      0.759 ppm2      1.666 CV     1
 ASSI {  678}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HG  ))
      5.600     3.900     0.400 peak   678 spectrum    1 weight  0.10000E+01 volume  0.20892E-03 ppm1      0.881 ppm2      1.835 CV     1
 ASSI {  679}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HG  ))
      2.400     0.700     0.700 peak   679 spectrum    1 weight  0.10000E+01 volume  0.63006E-02 ppm1      0.882 ppm2      1.706 CV     1
 ASSI {  680}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HB1 ))
      2.500     0.800     0.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.64488E-02 ppm1      0.881 ppm2      1.606 CV     1
 ASSI {  681}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 14   and name HB1 ))
      3.700     1.700     1.700 peak   681 spectrum    1 weight  0.10000E+01 volume  0.77305E-03 ppm1      0.691 ppm2      1.986 CV     1
 ASSI {  684}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB2 ))
      4.200     2.200     1.800 peak   684 spectrum    1 weight  0.10000E+01 volume  0.10795E-02 ppm1      0.235 ppm2      2.783 CV     1
 ASSI {  687}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      4.000     2.000     2.000 peak   687 spectrum    1 weight  0.10000E+01 volume  0.44360E-03 ppm1      0.236 ppm2      3.002 CV     1
 ASSI {  688}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HB2 ))
      3.600     1.600     1.600 peak   688 spectrum    1 weight  0.10000E+01 volume  0.61462E-03 ppm1      0.235 ppm2      3.094 CV     1
 ASSI {  690}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
      3.000     1.100     1.100 peak   690 spectrum    1 weight  0.10000E+01 volume  0.16481E-02 ppm1      0.691 ppm2      3.015 CV     1
 ASSI {  691}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 38   and name HB  ))
      3.400     1.500     1.500 peak   691 spectrum    1 weight  0.10000E+01 volume  0.83656E-03 ppm1      0.692 ppm2      2.453 CV     1
 ASSI {  692}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 40   and name HB1 ))
      5.100     3.300     0.900 peak   692 spectrum    1 weight  0.10000E+01 volume  0.27129E-03 ppm1      0.352 ppm2      3.003 CV     1
 ASSI {  694}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB1 ))
      3.400     1.500     1.500 peak   694 spectrum    1 weight  0.10000E+01 volume  0.11524E-02 ppm1      0.883 ppm2      3.083 CV     1
 ASSI {  695}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
      3.700     1.700     1.700 peak   695 spectrum    1 weight  0.10000E+01 volume  0.23102E-02 ppm1      0.882 ppm2      2.766 CV     1
 ASSI {  696}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.900     1.900     1.900 peak   696 spectrum    1 weight  0.10000E+01 volume  0.74315E-03 ppm1      0.986 ppm2      2.788 CV     1
 ASSI {  701}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HB  ))
      2.100     0.500     0.500 peak   701 spectrum    1 weight  0.10000E+01 volume  0.10761E-01 ppm1      1.130 ppm2      2.407 CV     1
 ASSI {  702}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.200     1.300     1.300 peak   702 spectrum    1 weight  0.10000E+01 volume  0.23605E-02 ppm1      0.690 ppm2      3.291 CV     1
 ASSI {  703}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      4.000     2.000     2.000 peak   703 spectrum    1 weight  0.10000E+01 volume  0.29351E-03 ppm1      0.760 ppm2      3.520 CV     1
 ASSI {  704}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      4.400     2.400     1.600 peak   704 spectrum    1 weight  0.10000E+01 volume  0.33065E-03 ppm1      0.692 ppm2      3.514 CV     1
 ASSI {  705}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HA  ))
      3.300     1.300     1.300 peak   705 spectrum    1 weight  0.10000E+01 volume  0.28259E-02 ppm1      0.457 ppm2      3.605 CV     1
 ASSI {  709}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
      3.800     1.800     1.800 peak   709 spectrum    1 weight  0.10000E+01 volume  0.55693E-03 ppm1      0.351 ppm2      3.992 CV     1
 ASSI {  710}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HA  ))
      2.500     0.800     0.800 peak   710 spectrum    1 weight  0.10000E+01 volume  0.34247E-02 ppm1      0.352 ppm2      3.889 CV     1
 ASSI {  712}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      3.800     1.800     1.800 peak   712 spectrum    1 weight  0.10000E+01 volume  0.71748E-03 ppm1      0.232 ppm2      3.986 CV     1
 ASSI {  715}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HB1 ))
      2.700     0.900     0.900 peak   715 spectrum    1 weight  0.10000E+01 volume  0.21625E-02 ppm1      0.985 ppm2      3.453 CV     1
 ASSI {  719}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.800     0.800 peak   719 spectrum    1 weight  0.10000E+01 volume  0.46602E-02 ppm1      1.382 ppm2      3.865 CV     1
 ASSI {  729}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HA  ))
      2.300     0.600     0.600 peak   729 spectrum    1 weight  0.10000E+01 volume  0.88108E-02 ppm1      0.690 ppm2      4.362 CV     1
 ASSI {  734}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak   734 spectrum    1 weight  0.10000E+01 volume  0.81043E-02 ppm1      0.881 ppm2      4.360 CV     1
 ASSI {  735}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      3.800     1.800     1.800 peak   735 spectrum    1 weight  0.10000E+01 volume  0.18746E-02 ppm1      0.882 ppm2      4.903 CV     1
 ASSI {  737}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
      2.200     0.600     0.600 peak   737 spectrum    1 weight  0.10000E+01 volume  0.11379E-01 ppm1      0.985 ppm2      4.212 CV     1
 ASSI {  739}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
      4.900     3.000     1.100 peak   739 spectrum    1 weight  0.10000E+01 volume  0.37256E-03 ppm1      0.990 ppm2      4.900 CV     1
 ASSI {  743}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HA  ))
      2.000     0.500     0.500 peak   743 spectrum    1 weight  0.10000E+01 volume  0.91598E-02 ppm1      1.034 ppm2      4.308 CV     1
 ASSI {  748}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HA  ))
      2.300     0.700     0.700 peak   748 spectrum    1 weight  0.10000E+01 volume  0.61637E-02 ppm1      1.130 ppm2      4.438 CV     1
 ASSI {  750}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HB  ))
      2.400     0.700     0.700 peak   750 spectrum    1 weight  0.10000E+01 volume  0.54976E-02 ppm1      1.383 ppm2      4.318 CV     1
 ASSI {  757}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HD% )
      4.600     2.700     1.400 peak   757 spectrum    1 weight  0.10000E+01 volume  0.58451E-03 ppm1      1.129 ppm2      7.118 CV     1
 ASSI {  758}
   (  segid "    " and resid 68   and name HG1%)
   (  segid "    " and resid 35   and name HE% )
      3.900     1.900     1.900 peak   758 spectrum    1 weight  0.10000E+01 volume  0.16562E-02 ppm1      1.130 ppm2      6.919 CV     1
 ASSI {  760}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      3.600     1.700     1.700 peak   760 spectrum    1 weight  0.10000E+01 volume  0.62159E-03 ppm1      1.041 ppm2      6.915 CV     1
 ASSI {  764}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      2.700     0.900     0.900 peak   764 spectrum    1 weight  0.10000E+01 volume  0.32184E-02 ppm1      0.758 ppm2      6.922 CV     1
 ASSI {  765}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.400     1.500     1.500 peak   765 spectrum    1 weight  0.10000E+01 volume  0.16821E-02 ppm1      0.757 ppm2      6.751 CV     1
 ASSI {  768}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      3.700     1.800     1.800 peak   768 spectrum    1 weight  0.10000E+01 volume  0.77640E-03 ppm1      0.690 ppm2      6.754 CV     1
 ASSI {  769}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      2.800     1.000     1.000 peak   769 spectrum    1 weight  0.10000E+01 volume  0.20495E-02 ppm1      0.690 ppm2      7.306 CV     1
 ASSI {  770}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.400     1.500     1.500 peak   770 spectrum    1 weight  0.10000E+01 volume  0.80496E-03 ppm1      0.688 ppm2      7.203 CV     1
 ASSI {  773}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
      3.300     1.400     1.400 peak   773 spectrum    1 weight  0.10000E+01 volume  0.15253E-02 ppm1      0.457 ppm2      7.321 CV     1
 OR {  773}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  775}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HD% )
      3.700     1.700     1.700 peak   775 spectrum    1 weight  0.10000E+01 volume  0.12786E-02 ppm1      0.352 ppm2      7.116 CV     1
 ASSI {  776}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      3.000     1.100     1.100 peak   776 spectrum    1 weight  0.10000E+01 volume  0.16056E-02 ppm1      0.351 ppm2      6.912 CV     1
 OR {  776}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  777}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      4.800     2.800     1.200 peak   777 spectrum    1 weight  0.10000E+01 volume  0.41110E-03 ppm1      0.350 ppm2      6.749 CV     1
 ASSI {  778}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 68   and name HN  ))
      5.100     3.300     0.900 peak   778 spectrum    1 weight  0.10000E+01 volume  0.33795E-03 ppm1      0.353 ppm2      7.330 CV     1
 ASSI {  780}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 40   and name HE% )
      5.400     3.600     0.600 peak   780 spectrum    1 weight  0.10000E+01 volume  0.42213E-03 ppm1      0.233 ppm2      6.745 CV     1
 ASSI {  781}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HD% )
      3.500     1.500     1.500 peak   781 spectrum    1 weight  0.10000E+01 volume  0.94532E-03 ppm1      0.234 ppm2      7.108 CV     1
 ASSI {  782}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 68   and name HN  ))
      4.700     2.800     1.300 peak   782 spectrum    1 weight  0.10000E+01 volume  0.38245E-03 ppm1      0.233 ppm2      7.317 CV     1
 ASSI {  784}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HD21))
      4.400     2.500     1.600 peak   784 spectrum    1 weight  0.10000E+01 volume  0.49450E-03 ppm1      0.882 ppm2      7.333 CV     1
 ASSI {  785}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 79   and name HD22))
      4.700     2.800     1.300 peak   785 spectrum    1 weight  0.10000E+01 volume  0.44830E-03 ppm1      0.883 ppm2      7.663 CV     1
 ASSI {  786}
   (  segid "    " and resid 82   and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.700     1.700     1.700 peak   786 spectrum    1 weight  0.10000E+01 volume  0.10347E-02 ppm1      0.985 ppm2      7.440 CV     1
 ASSI {  787}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.000     1.100     1.100 peak   787 spectrum    1 weight  0.10000E+01 volume  0.31072E-02 ppm1      1.033 ppm2      7.436 CV     1
 ASSI {  789}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      4.400     2.400     1.600 peak   789 spectrum    1 weight  0.10000E+01 volume  0.51620E-03 ppm1      1.041 ppm2      7.217 CV     1
 ASSI {  791}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 68   and name HN  ))
      2.500     0.800     0.800 peak   791 spectrum    1 weight  0.10000E+01 volume  0.30001E-02 ppm1      1.130 ppm2      7.325 CV     1
 ASSI {  793}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 73   and name HN  ))
      4.900     3.000     1.100 peak   793 spectrum    1 weight  0.10000E+01 volume  0.43763E-03 ppm1      1.130 ppm2      7.829 CV     1
 ASSI {  794}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HN  ))
      3.200     1.300     1.300 peak   794 spectrum    1 weight  0.10000E+01 volume  0.15429E-02 ppm1      1.129 ppm2      7.713 CV     1
 ASSI {  795}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 30   and name HZ  ))
      3.000     1.100     1.100 peak   795 spectrum    1 weight  0.10000E+01 volume  0.29802E-02 ppm1      1.381 ppm2      7.326 CV     1
 OR {  795}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HD% )
 ASSI {  796}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 30   and name HE% )
      2.500     0.800     0.800 peak   796 spectrum    1 weight  0.10000E+01 volume  0.39446E-02 ppm1      1.383 ppm2      7.210 CV     1
 ASSI {  799}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 83   and name HN  ))
      3.800     1.800     1.800 peak   799 spectrum    1 weight  0.10000E+01 volume  0.96360E-03 ppm1      0.881 ppm2      7.958 CV     1
 ASSI {  800}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
      3.000     1.100     1.100 peak   800 spectrum    1 weight  0.10000E+01 volume  0.14187E-02 ppm1      0.757 ppm2      8.403 CV     1
 ASSI {  801}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 27   and name HN  ))
      4.500     2.500     1.500 peak   801 spectrum    1 weight  0.10000E+01 volume  0.58172E-03 ppm1      0.688 ppm2      8.233 CV     1
 ASSI {  808}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HN  ))
      5.000     3.200     1.000 peak   808 spectrum    1 weight  0.10000E+01 volume  0.40116E-03 ppm1      0.229 ppm2      8.238 CV     1
 ASSI {  811}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 82   and name HN  ))
      3.500     1.600     1.600 peak   811 spectrum    1 weight  0.10000E+01 volume  0.15529E-02 ppm1      0.986 ppm2      8.277 CV     1
 ASSI {  818}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 8    and name HN  ))
      3.800     1.800     1.800 peak   818 spectrum    1 weight  0.10000E+01 volume  0.94325E-03 ppm1      1.384 ppm2      8.241 CV     1
 ASSI {  819}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HN  ))
      3.900     1.900     1.900 peak   819 spectrum    1 weight  0.10000E+01 volume  0.12276E-02 ppm1      0.454 ppm2      9.000 CV     1
 ASSI {  822}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 69   and name HN  ))
      4.000     2.000     2.000 peak   822 spectrum    1 weight  0.10000E+01 volume  0.19507E-02 ppm1      1.130 ppm2      9.096 CV     1
 ASSI {  824}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.300     2.300     1.700 peak   824 spectrum    1 weight  0.10000E+01 volume  0.15440E-02 ppm1      0.880 ppm2      9.427 CV     1
 ASSI {  826}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 11   and name HN  ))
      4.800     2.900     1.200 peak   826 spectrum    1 weight  0.10000E+01 volume  0.37536E-03 ppm1      1.036 ppm2      8.839 CV     1
 ASSI {  828}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 53   and name HN  ))
      5.100     3.200     0.900 peak   828 spectrum    1 weight  0.10000E+01 volume  0.35630E-03 ppm1      1.036 ppm2      8.951 CV     1
 ASSI {  830}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 27   and name HB2 ))
      4.800     2.900     1.200 peak   830 spectrum    1 weight  0.10000E+01 volume  0.22850E-03 ppm1      1.386 ppm2      3.976 CV     1
 ASSI {  831}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HB2 ))
      4.700     2.800     1.300 peak   831 spectrum    1 weight  0.10000E+01 volume  0.58549E-03 ppm1      0.350 ppm2      3.095 CV     1
 ASSI {  834}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD2%)
      2.400     0.700     0.700 peak   834 spectrum    1 weight  0.10000E+01 volume  0.46911E-02 ppm1      0.603 ppm2      1.032 CV     1
 ASSI {  835}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 82   and name HD2%)
      2.700     0.900     0.900 peak   835 spectrum    1 weight  0.10000E+01 volume  0.57625E-02 ppm1      0.643 ppm2      1.002 CV     1
 OR {  835}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  843}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
      2.200     0.600     0.600 peak   843 spectrum    1 weight  0.10000E+01 volume  0.67901E-02 ppm1      0.603 ppm2      1.568 CV     1
 OR {  843}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  844}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HB2 ))
      3.400     1.400     1.400 peak   844 spectrum    1 weight  0.10000E+01 volume  0.25077E-02 ppm1      0.642 ppm2      1.371 CV     1
 ASSI {  845}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.800     0.800 peak   845 spectrum    1 weight  0.10000E+01 volume  0.26933E-02 ppm1      0.603 ppm2      1.357 CV     1
 ASSI {  849}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 78   and name HB  ))
      4.600     2.600     1.400 peak   849 spectrum    1 weight  0.10000E+01 volume  0.77718E-03 ppm1      0.641 ppm2      1.938 CV     1
 ASSI {  850}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
      3.100     1.200     1.200 peak   850 spectrum    1 weight  0.10000E+01 volume  0.11965E-02 ppm1      0.604 ppm2      1.934 CV     1
 ASSI {  852}
   (  segid "    " and resid 31   and name HD2%)
   (  segid "    " and resid 7    and name HG2%)
      3.000     1.100     1.100 peak   852 spectrum    1 weight  0.10000E+01 volume  0.26687E-02 ppm1      0.777 ppm2      1.379 CV     1
 ASSI {  854}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HB2 ))
      2.200     0.600     0.600 peak   854 spectrum    1 weight  0.10000E+01 volume  0.36699E-02 ppm1      0.793 ppm2      1.369 CV     1
 ASSI {  855}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 75   and name HB1 ))
      4.300     2.300     1.700 peak   855 spectrum    1 weight  0.10000E+01 volume  0.28951E-03 ppm1      0.780 ppm2      2.213 CV     1
 ASSI {  856}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      3.600     1.600     1.600 peak   856 spectrum    1 weight  0.10000E+01 volume  0.15579E-02 ppm1      0.792 ppm2      2.326 CV     1
 ASSI {  857}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
      3.700     1.700     1.700 peak   857 spectrum    1 weight  0.10000E+01 volume  0.16160E-02 ppm1      0.793 ppm2      2.192 CV     1
 ASSI {  859}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HB1 ))
      2.800     1.000     1.000 peak   859 spectrum    1 weight  0.10000E+01 volume  0.26069E-02 ppm1      1.058 ppm2      1.871 CV     1
 ASSI {  860}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HB2 ))
      2.700     0.900     0.900 peak   860 spectrum    1 weight  0.10000E+01 volume  0.35853E-02 ppm1      1.008 ppm2      1.832 CV     1
 ASSI {  861}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HG  ))
      2.600     0.900     0.900 peak   861 spectrum    1 weight  0.10000E+01 volume  0.28769E-02 ppm1      1.056 ppm2      1.727 CV     1
 ASSI {  862}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HG  ))
      2.600     0.800     0.800 peak   862 spectrum    1 weight  0.10000E+01 volume  0.37919E-02 ppm1      1.006 ppm2      1.730 CV     1
 ASSI {  866}
   (  segid "    " and resid 43   and name HD2%)
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   866 spectrum    1 weight  0.10000E+01 volume  0.40601E-02 ppm1      1.057 ppm2      4.268 CV     1
 ASSI {  867}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HA  ))
      3.700     1.700     1.700 peak   867 spectrum    1 weight  0.10000E+01 volume  0.36096E-02 ppm1      1.006 ppm2      4.269 CV     1
 ASSI {  868}
   (  segid "    " and resid 75   and name HD1%)
   (  segid "    " and resid 5    and name HD1%)
      3.100     1.200     1.200 peak   868 spectrum    1 weight  0.10000E+01 volume  0.26499E-02 ppm1      0.791 ppm2      0.602 CV     1
 ASSI {  874}
   (  segid "    " and resid 4    and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
      3.000     1.200     1.200 peak   874 spectrum    1 weight  0.10000E+01 volume  0.10255E-02 ppm1      0.952 ppm2      4.377 CV     1
 ASSI {  876}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      2.200     0.600     0.600 peak   876 spectrum    1 weight  0.10000E+01 volume  0.78291E-02 ppm1      0.792 ppm2      3.883 CV     1
 ASSI {  877}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB1 ))
      2.800     1.000     1.000 peak   877 spectrum    1 weight  0.10000E+01 volume  0.18312E-02 ppm1      0.644 ppm2      3.033 CV     1
 ASSI {  882}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HA  ))
      2.600     0.900     0.900 peak   882 spectrum    1 weight  0.10000E+01 volume  0.27954E-02 ppm1      0.644 ppm2      4.526 CV     1
 ASSI {  884}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HD% )
      3.400     1.400     1.400 peak   884 spectrum    1 weight  0.10000E+01 volume  0.10706E-02 ppm1      0.644 ppm2      7.438 CV     1
 ASSI {  885}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.400     1.500     1.500 peak   885 spectrum    1 weight  0.10000E+01 volume  0.64849E-03 ppm1      0.603 ppm2      7.435 CV     1
 ASSI {  887}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 56   and name HE% )
      2.900     1.100     1.100 peak   887 spectrum    1 weight  0.10000E+01 volume  0.16655E-02 ppm1      0.643 ppm2      6.809 CV     1
 ASSI {  888}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 56   and name HE% )
      3.300     1.300     1.300 peak   888 spectrum    1 weight  0.10000E+01 volume  0.83367E-03 ppm1      0.604 ppm2      6.809 CV     1
 ASSI {  889}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HD21))
      3.500     1.500     1.500 peak   889 spectrum    1 weight  0.10000E+01 volume  0.31672E-02 ppm1      0.792 ppm2      7.329 CV     1
 ASSI {  890}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      4.900     3.000     1.100 peak   890 spectrum    1 weight  0.10000E+01 volume  0.67493E-03 ppm1      0.643 ppm2      8.068 CV     1
 ASSI {  893}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HD22))
      2.800     1.000     1.000 peak   893 spectrum    1 weight  0.10000E+01 volume  0.19818E-02 ppm1      0.793 ppm2      7.669 CV     1
 ASSI {  895}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 43   and name HN  ))
      4.700     2.800     1.300 peak   895 spectrum    1 weight  0.10000E+01 volume  0.73137E-03 ppm1      1.004 ppm2      7.777 CV     1
 ASSI {  896}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 5    and name HN  ))
      3.800     1.800     1.800 peak   896 spectrum    1 weight  0.10000E+01 volume  0.88944E-03 ppm1      0.642 ppm2      9.434 CV     1
 ASSI {  897}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 6    and name HN  ))
      4.100     2.100     1.900 peak   897 spectrum    1 weight  0.10000E+01 volume  0.13430E-02 ppm1      0.644 ppm2      9.030 CV     1
 ASSI {  898}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 6    and name HN  ))
      5.200     3.400     0.800 peak   898 spectrum    1 weight  0.10000E+01 volume  0.45971E-03 ppm1      0.602 ppm2      9.032 CV     1
 ASSI {  899}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      4.300     2.300     1.700 peak   899 spectrum    1 weight  0.10000E+01 volume  0.74356E-03 ppm1      0.792 ppm2      9.431 CV     1
 ASSI {  901}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.400     2.400     1.600 peak   901 spectrum    1 weight  0.10000E+01 volume  0.88025E-03 ppm1      0.792 ppm2      8.721 CV     1
 ASSI {  922}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 6    and name HA  ))
      4.100     2.100     1.900 peak   922 spectrum    1 weight  0.10000E+01 volume  0.31976E-03 ppm1      0.793 ppm2      4.771 CV     1
 ASSI {  923}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      4.400     2.400     1.600 peak   923 spectrum    1 weight  0.10000E+01 volume  0.55172E-03 ppm1      0.793 ppm2      4.520 CV     1
 ASSI {  926}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 4    and name HA  ))
      4.300     2.300     1.700 peak   926 spectrum    1 weight  0.10000E+01 volume  0.66181E-03 ppm1      0.643 ppm2      4.347 CV     1
 ASSI {  927}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      4.900     2.900     1.100 peak   927 spectrum    1 weight  0.10000E+01 volume  0.31774E-03 ppm1      0.610 ppm2      4.329 CV     1
 ASSI {  928}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 79   and name HA  ))
      5.900     4.400     0.100 peak   928 spectrum    1 weight  0.10000E+01 volume  0.13667E-03 ppm1      0.638 ppm2      4.903 CV     1
 ASSI {  933}
   (  segid "    " and resid 43   and name HD1%)
   (( segid "    " and resid 42   and name H28B))
      3.700     1.700     1.700 peak   933 spectrum    1 weight  0.10000E+01 volume  0.63956E-03 ppm1      1.007 ppm2      3.913 CV     1
 ASSI {  938}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 9    and name HB2 ))
      3.500     1.500     1.500 peak   938 spectrum    1 weight  0.10000E+01 volume  0.19632E-02 ppm1      0.644 ppm2      2.697 CV     1
 ASSI {  939}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 9    and name HB2 ))
      3.900     1.900     1.900 peak   939 spectrum    1 weight  0.10000E+01 volume  0.84524E-03 ppm1      0.606 ppm2      2.695 CV     1
 ASSI {  957}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      3.800     1.800     1.800 peak   957 spectrum    1 weight  0.10000E+01 volume  0.63987E-03 ppm1      0.800 ppm2      6.750 CV     1
 ASSI {  958}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
      3.000     1.100     1.100 peak   958 spectrum    1 weight  0.10000E+01 volume  0.14148E-02 ppm1      0.892 ppm2      6.917 CV     1
 ASSI {  959}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 40   and name HE% )
      4.100     2.100     1.900 peak   959 spectrum    1 weight  0.10000E+01 volume  0.33040E-03 ppm1      0.888 ppm2      6.752 CV     1
 ASSI {  960}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 56   and name HE% )
      4.800     2.900     1.200 peak   960 spectrum    1 weight  0.10000E+01 volume  0.47583E-03 ppm1      0.864 ppm2      6.808 CV     1
 ASSI {  961}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 35   and name HZ  ))
      3.100     1.200     1.200 peak   961 spectrum    1 weight  0.10000E+01 volume  0.21573E-02 ppm1      0.976 ppm2      6.886 CV     1
 ASSI {  962}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      4.700     2.800     1.300 peak   962 spectrum    1 weight  0.10000E+01 volume  0.53504E-03 ppm1      1.060 ppm2      7.309 CV     1
 ASSI {  964}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HD% )
      2.800     1.000     1.000 peak   964 spectrum    1 weight  0.10000E+01 volume  0.10463E-02 ppm1      1.311 ppm2      7.306 CV     1
 ASSI {  965}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 30   and name HE% )
      3.700     1.700     1.700 peak   965 spectrum    1 weight  0.10000E+01 volume  0.48816E-03 ppm1      1.313 ppm2      7.207 CV     1
 ASSI {  967}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 30   and name HE% )
      3.700     1.700     1.700 peak   967 spectrum    1 weight  0.10000E+01 volume  0.72745E-03 ppm1      2.179 ppm2      7.205 CV     1
 ASSI {  971}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HN  ))
      2.400     0.700     0.700 peak   971 spectrum    1 weight  0.10000E+01 volume  0.29659E-02 ppm1      2.039 ppm2      8.414 CV     1
 ASSI {  972}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 5    and name HN  ))
      3.400     1.400     1.400 peak   972 spectrum    1 weight  0.10000E+01 volume  0.10260E-02 ppm1      0.982 ppm2      9.425 CV     1
 ASSI {  973}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 53   and name HN  ))
      4.600     2.700     1.400 peak   973 spectrum    1 weight  0.10000E+01 volume  0.63816E-03 ppm1      0.861 ppm2      8.962 CV     1
 ASSI {  978}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak   978 spectrum    1 weight  0.10000E+01 volume  0.12421E-02 ppm1      0.889 ppm2      8.400 CV     1
 ASSI {  979}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HN  ))
      3.600     1.600     1.600 peak   979 spectrum    1 weight  0.10000E+01 volume  0.23844E-02 ppm1      0.862 ppm2      8.413 CV     1
 ASSI {  980}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      5.700     4.100     0.300 peak   980 spectrum    1 weight  0.10000E+01 volume  0.32215E-03 ppm1      0.868 ppm2      8.263 CV     1
 ASSI {  982}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      4.200     2.200     1.800 peak   982 spectrum    1 weight  0.10000E+01 volume  0.78472E-03 ppm1      0.980 ppm2      8.274 CV     1
 ASSI {  986}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 32   and name HN  ))
      4.800     2.900     1.200 peak   986 spectrum    1 weight  0.10000E+01 volume  0.37140E-03 ppm1      1.057 ppm2      8.045 CV     1
 ASSI {  991}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HN  ))
      5.000     3.100     1.000 peak   991 spectrum    1 weight  0.10000E+01 volume  0.43968E-03 ppm1      0.975 ppm2      7.719 CV     1
 ASSI {  993}
   (  segid "    " and resid 82   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      3.600     1.600     1.600 peak   993 spectrum    1 weight  0.10000E+01 volume  0.78079E-03 ppm1      0.982 ppm2      7.439 CV     1
 ASSI {  994}
   (  segid "    " and resid 14   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      2.800     1.000     1.000 peak   994 spectrum    1 weight  0.10000E+01 volume  0.21349E-02 ppm1      0.892 ppm2      7.211 CV     1
 ASSI {  996}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 56   and name HD% )
      4.600     2.600     1.400 peak   996 spectrum    1 weight  0.10000E+01 volume  0.53690E-03 ppm1      0.862 ppm2      7.439 CV     1
 ASSI {  998}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      4.200     2.200     1.800 peak   998 spectrum    1 weight  0.10000E+01 volume  0.42900E-03 ppm1      0.795 ppm2      7.209 CV     1
 ASSI {  999}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
      4.000     2.000     2.000 peak   999 spectrum    1 weight  0.10000E+01 volume  0.68862E-03 ppm1      0.801 ppm2      7.312 CV     1
 OR {  999}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1001}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 35   and name HE% )
      4.300     2.300     1.700 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.11001E-02 ppm1      1.313 ppm2      6.908 CV     1
 OR { 1001}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 1002}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 35   and name HE% )
      3.400     1.500     1.500 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.60083E-03 ppm1      2.179 ppm2      6.919 CV     1
 ASSI { 1003}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 35   and name HE% )
      3.700     1.700     1.700 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.52549E-03 ppm1      2.180 ppm2      6.892 CV     1
 OR { 1003}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 1004}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 70   and name HA  ))
      5.300     3.600     0.700 peak  1004 spectrum    1 weight  0.10000E+01 volume  0.33305E-03 ppm1      2.178 ppm2      4.952 CV     1
 ASSI { 1006}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 79   and name HA  ))
      2.800     1.000     1.000 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.21530E-02 ppm1      0.982 ppm2      4.906 CV     1
 ASSI { 1009}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.30760E-02 ppm1      0.981 ppm2      4.361 CV     1
 ASSI { 1016}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
      3.700     1.700     1.700 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.18084E-02 ppm1      0.864 ppm2      4.307 CV     1
 ASSI { 1018}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HA  ))
      3.600     1.700     1.700 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.17338E-02 ppm1      0.799 ppm2      4.362 CV     1
 ASSI { 1022}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      2.700     0.900     0.900 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.23802E-02 ppm1      0.864 ppm2      3.942 CV     1
 ASSI { 1030}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HD1 ))
      2.600     0.900     0.900 peak  1030 spectrum    1 weight  0.10000E+01 volume  0.14422E-02 ppm1      2.179 ppm2      4.020 CV     1
 ASSI { 1031}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 71   and name HA  ))
      3.300     1.300     1.300 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.82784E-03 ppm1      2.176 ppm2      4.225 CV     1
 ASSI { 1032}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HA  ))
      3.300     1.400     1.400 peak  1032 spectrum    1 weight  0.10000E+01 volume  0.11354E-02 ppm1      2.042 ppm2      4.302 CV     1
 ASSI { 1035}
   (( segid "    " and resid 71   and name HG1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.400     2.400     1.600 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.96107E-03 ppm1      2.179 ppm2      3.293 CV     1
 ASSI { 1037}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HD2 ))
      2.600     0.800     0.800 peak  1037 spectrum    1 weight  0.10000E+01 volume  0.16838E-02 ppm1      1.314 ppm2      2.809 CV     1
 ASSI { 1038}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 31   and name HA  ))
      3.300     1.400     1.400 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.59453E-03 ppm1      1.314 ppm2      3.306 CV     1
 ASSI { 1043}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 56   and name HB1 ))
      3.800     1.800     1.800 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.52130E-03 ppm1      0.984 ppm2      3.450 CV     1
 ASSI { 1045}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      3.300     1.300     1.300 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.18145E-02 ppm1      0.893 ppm2      3.520 CV     1
 ASSI { 1046}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 72   and name HA  ))
      3.300     1.400     1.400 peak  1046 spectrum    1 weight  0.10000E+01 volume  0.13262E-02 ppm1      0.872 ppm2      3.606 CV     1
 ASSI { 1052}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.600     0.800     0.800 peak  1052 spectrum    1 weight  0.10000E+01 volume  0.32449E-02 ppm1      0.976 ppm2      2.424 CV     1
 ASSI { 1055}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HG  ))
      2.000     0.500     0.500 peak  1055 spectrum    1 weight  0.10000E+01 volume  0.10971E-01 ppm1      0.863 ppm2      2.039 CV     1
 ASSI { 1058}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      2.400     0.700     0.700 peak  1058 spectrum    1 weight  0.10000E+01 volume  0.42853E-02 ppm1      0.865 ppm2      1.446 CV     1
 ASSI { 1059}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 14   and name HB1 ))
      3.100     1.200     1.200 peak  1059 spectrum    1 weight  0.10000E+01 volume  0.94635E-03 ppm1      0.798 ppm2      1.985 CV     1
 ASSI { 1060}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 38   and name HG11))
      4.500     2.500     1.500 peak  1060 spectrum    1 weight  0.10000E+01 volume  0.33688E-03 ppm1      0.802 ppm2      1.851 CV     1
 ASSI { 1061}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HG  ))
      2.200     0.600     0.600 peak  1061 spectrum    1 weight  0.10000E+01 volume  0.92920E-02 ppm1      0.799 ppm2      1.576 CV     1
 ASSI { 1064}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HG  ))
      2.300     0.600     0.600 peak  1064 spectrum    1 weight  0.10000E+01 volume  0.71913E-02 ppm1      1.057 ppm2      1.775 CV     1
 OR { 1064}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 1068}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.100     0.600     0.600 peak  1068 spectrum    1 weight  0.10000E+01 volume  0.69708E-02 ppm1      0.975 ppm2      1.697 CV     1
 ASSI { 1073}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HB1 ))
      2.900     1.000     1.000 peak  1073 spectrum    1 weight  0.10000E+01 volume  0.27501E-02 ppm1      0.982 ppm2      2.011 CV     1
 ASSI { 1077}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 33   and name HB2 ))
      3.400     1.400     1.400 peak  1077 spectrum    1 weight  0.10000E+01 volume  0.25455E-02 ppm1      1.058 ppm2      1.411 CV     1
 ASSI { 1079}
   (( segid "    " and resid 71   and name HG2 ))
   (( segid "    " and resid 71   and name HB2 ))
      2.600     0.900     0.900 peak  1079 spectrum    1 weight  0.10000E+01 volume  0.15984E-02 ppm1      1.311 ppm2      2.008 CV     1
 ASSI { 1080}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 13   and name HB% )
      3.200     1.200     1.200 peak  1080 spectrum    1 weight  0.10000E+01 volume  0.10669E-02 ppm1      2.040 ppm2      1.665 CV     1
 ASSI { 1083}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB2 ))
      2.800     1.000     1.000 peak  1083 spectrum    1 weight  0.10000E+01 volume  0.32665E-02 ppm1      0.796 ppm2      1.226 CV     1
 ASSI { 1089}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 52   and name HD2%)
      2.400     0.700     0.700 peak  1089 spectrum    1 weight  0.10000E+01 volume  0.38415E-02 ppm1      2.040 ppm2      1.033 CV     1
 ASSI { 1093}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HB2 ))
      3.000     1.100     1.100 peak  1093 spectrum    1 weight  0.10000E+01 volume  0.23786E-02 ppm1      1.578 ppm2      1.243 CV     1
 ASSI { 1095}
   (  segid "    " and resid 33   and name HD2%)
   (  segid "    " and resid 26   and name HD1%)
      3.900     1.900     1.900 peak  1095 spectrum    1 weight  0.10000E+01 volume  0.11743E-02 ppm1      1.062 ppm2      0.687 CV     1
 ASSI { 1096}
   (  segid "    " and resid 75   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
      2.400     2.400     3.600 peak  1096 spectrum    1 weight  0.10000E+01 volume  0.29717E-02 ppm1      0.871 ppm2      0.447 CV     1
 ASSI { 1098}
   (( segid "    " and resid 74   and name HG  ))
   (  segid "    " and resid 45   and name HD2%)
      3.000     1.100     1.100 peak  1098 spectrum    1 weight  0.10000E+01 volume  0.15462E-02 ppm1      0.976 ppm2      0.356 CV     1
 ASSI { 1099}
   (( segid "    " and resid 74   and name HG  ))
   (  segid "    " and resid 45   and name HD1%)
      2.900     2.900     3.100 peak  1099 spectrum    1 weight  0.10000E+01 volume  0.81699E-03 ppm1      0.977 ppm2      0.226 CV     1
 ASSI { 1100}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 11   and name HN  ))
      4.400     2.400     1.600 peak  1100 spectrum    1 weight  0.10000E+01 volume  0.75456E-03 ppm1      1.123 ppm2      8.841 CV     1
 ASSI { 1101}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      3.100     1.200     1.200 peak  1101 spectrum    1 weight  0.10000E+01 volume  0.14409E-02 ppm1      1.124 ppm2      8.727 CV     1
 ASSI { 1102}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HN  ))
      4.700     2.800     1.300 peak  1102 spectrum    1 weight  0.10000E+01 volume  0.69662E-03 ppm1      1.123 ppm2      8.068 CV     1
 ASSI { 1105}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HN  ))
      2.800     1.000     1.000 peak  1105 spectrum    1 weight  0.10000E+01 volume  0.35359E-02 ppm1      1.199 ppm2      7.508 CV     1
 ASSI { 1106}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 30   and name HZ  ))
      3.300     1.400     1.400 peak  1106 spectrum    1 weight  0.10000E+01 volume  0.15646E-02 ppm1      1.124 ppm2      7.328 CV     1
 OR { 1106}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 30   and name HD% )
 ASSI { 1107}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 30   and name HE% )
      3.000     1.100     1.100 peak  1107 spectrum    1 weight  0.10000E+01 volume  0.23064E-02 ppm1      1.124 ppm2      7.211 CV     1
 ASSI { 1108}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
      4.500     2.500     1.500 peak  1108 spectrum    1 weight  0.10000E+01 volume  0.45122E-03 ppm1      1.121 ppm2      6.890 CV     1
 ASSI { 1110}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HH11))
      5.000     3.100     1.000 peak  1110 spectrum    1 weight  0.10000E+01 volume  0.66197E-03 ppm1      1.509 ppm2      6.893 CV     1
 OR { 1110}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HH22))
 OR { 1110}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 1110}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HH21))
 ASSI { 1111}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 40   and name HD% )
      4.300     2.300     1.700 peak  1111 spectrum    1 weight  0.10000E+01 volume  0.96272E-03 ppm1      1.536 ppm2      6.965 CV     1
 ASSI { 1113}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HN  ))
      3.500     1.500     1.500 peak  1113 spectrum    1 weight  0.10000E+01 volume  0.22451E-02 ppm1      1.349 ppm2      8.462 CV     1
 ASSI { 1121}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HN  ))
      2.500     0.800     0.800 peak  1121 spectrum    1 weight  0.10000E+01 volume  0.41555E-02 ppm1      1.713 ppm2      8.147 CV     1
 ASSI { 1126}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HN  ))
      2.600     0.900     0.900 peak  1126 spectrum    1 weight  0.10000E+01 volume  0.18901E-02 ppm1      1.777 ppm2      7.208 CV     1
 ASSI { 1129}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      2.600     0.800     0.800 peak  1129 spectrum    1 weight  0.10000E+01 volume  0.15479E-02 ppm1      1.557 ppm2      9.429 CV     1
 ASSI { 1130}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 5    and name HN  ))
      4.700     2.800     1.300 peak  1130 spectrum    1 weight  0.10000E+01 volume  0.66672E-03 ppm1      1.711 ppm2      9.427 CV     1
 ASSI { 1133}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 40   and name HN  ))
      4.000     2.000     2.000 peak  1133 spectrum    1 weight  0.10000E+01 volume  0.49763E-03 ppm1      1.544 ppm2      8.064 CV     1
 ASSI { 1134}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HN  ))
      4.800     2.900     1.200 peak  1134 spectrum    1 weight  0.10000E+01 volume  0.50159E-03 ppm1      1.349 ppm2      8.223 CV     1
 ASSI { 1137}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 37   and name HN  ))
      4.300     2.400     1.700 peak  1137 spectrum    1 weight  0.10000E+01 volume  0.38603E-03 ppm1      1.541 ppm2      7.550 CV     1
 ASSI { 1143}
   (( segid "    " and resid 11   and name HG2 ))
   (  segid "    " and resid 30   and name HE% )
      4.800     2.900     1.200 peak  1143 spectrum    1 weight  0.10000E+01 volume  0.38635E-03 ppm1      1.164 ppm2      7.209 CV     1
 ASSI { 1148}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 35   and name HD% )
      4.600     2.600     1.400 peak  1148 spectrum    1 weight  0.10000E+01 volume  0.44854E-03 ppm1      1.533 ppm2      7.108 CV     1
 ASSI { 1149}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 35   and name HD% )
      4.400     2.500     1.600 peak  1149 spectrum    1 weight  0.10000E+01 volume  0.49378E-03 ppm1      1.822 ppm2      7.110 CV     1
 ASSI { 1155}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HH11))
      5.300     3.500     0.700 peak  1155 spectrum    1 weight  0.10000E+01 volume  0.44594E-03 ppm1      1.648 ppm2      6.890 CV     1
 OR { 1155}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HH22))
 OR { 1155}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 1155}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HH21))
 ASSI { 1160}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 60   and name HA  ))
      4.700     2.700     1.300 peak  1160 spectrum    1 weight  0.10000E+01 volume  0.93757E-03 ppm1      2.143 ppm2      4.652 CV     1
 OR { 1160}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 1161}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HA  ))
      3.300     1.400     1.400 peak  1161 spectrum    1 weight  0.10000E+01 volume  0.19265E-02 ppm1      2.144 ppm2      4.525 CV     1
 OR { 1161}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI { 1162}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 62   and name HN  ))
      5.200     3.400     0.800 peak  1162 spectrum    1 weight  0.10000E+01 volume  0.41909E-03 ppm1      2.139 ppm2      8.819 CV     1
 OR { 1162}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 62   and name HN  ))
 ASSI { 1163}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 63   and name HN  ))
      5.500     3.800     0.500 peak  1163 spectrum    1 weight  0.10000E+01 volume  0.26883E-03 ppm1      2.132 ppm2      8.622 CV     1
 OR { 1163}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 1164}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 64   and name HN  ))
      5.000     3.100     1.000 peak  1164 spectrum    1 weight  0.10000E+01 volume  0.45964E-03 ppm1      2.147 ppm2      7.403 CV     1
 OR { 1164}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 64   and name HN  ))
 ASSI { 1165}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HD1 ))
      2.400     0.700     0.700 peak  1165 spectrum    1 weight  0.10000E+01 volume  0.44641E-02 ppm1      2.142 ppm2      4.010 CV     1
 OR { 1165}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HD1 ))
 ASSI { 1173}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HA  ))
      3.700     1.700     1.700 peak  1173 spectrum    1 weight  0.10000E+01 volume  0.88805E-03 ppm1      1.825 ppm2      4.660 CV     1
 ASSI { 1175}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 79   and name HA  ))
      3.500     1.500     1.500 peak  1175 spectrum    1 weight  0.10000E+01 volume  0.52549E-03 ppm1      1.841 ppm2      4.905 CV     1
 ASSI { 1176}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 30   and name HA  ))
      3.000     1.100     1.100 peak  1176 spectrum    1 weight  0.10000E+01 volume  0.10349E-02 ppm1      1.778 ppm2      4.740 CV     1
 ASSI { 1177}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak  1177 spectrum    1 weight  0.10000E+01 volume  0.21222E-02 ppm1      1.711 ppm2      4.358 CV     1
 ASSI { 1178}
   (( segid "    " and resid 43   and name HG  ))
   (( segid "    " and resid 43   and name HA  ))
      3.400     1.400     1.400 peak  1178 spectrum    1 weight  0.10000E+01 volume  0.15412E-02 ppm1      1.732 ppm2      4.269 CV     1
 ASSI { 1181}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HA  ))
      3.400     1.500     1.500 peak  1181 spectrum    1 weight  0.10000E+01 volume  0.12813E-02 ppm1      1.558 ppm2      4.527 CV     1
 ASSI { 1182}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HA  ))
      4.000     2.000     2.000 peak  1182 spectrum    1 weight  0.10000E+01 volume  0.66982E-03 ppm1      1.543 ppm2      4.659 CV     1
 ASSI { 1183}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HA  ))
      3.400     1.500     1.500 peak  1183 spectrum    1 weight  0.10000E+01 volume  0.99851E-03 ppm1      1.478 ppm2      4.651 CV     1
 ASSI { 1190}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HA  ))
      3.100     1.200     1.200 peak  1190 spectrum    1 weight  0.10000E+01 volume  0.15815E-02 ppm1      1.111 ppm2      4.655 CV     1
 ASSI { 1192}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     1.200     1.200 peak  1192 spectrum    1 weight  0.10000E+01 volume  0.18167E-02 ppm1      1.164 ppm2      3.520 CV     1
 ASSI { 1194}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
      4.700     2.800     1.300 peak  1194 spectrum    1 weight  0.10000E+01 volume  0.44410E-03 ppm1      1.126 ppm2      3.302 CV     1
 ASSI { 1195}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD1 ))
      2.800     1.000     1.000 peak  1195 spectrum    1 weight  0.10000E+01 volume  0.19983E-02 ppm1      1.167 ppm2      3.203 CV     1
 OR { 1195}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 1197}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD2 ))
      2.700     0.900     0.900 peak  1197 spectrum    1 weight  0.10000E+01 volume  0.25983E-02 ppm1      1.402 ppm2      3.205 CV     1
 OR { 1197}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI { 1198}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     1.100     1.100 peak  1198 spectrum    1 weight  0.10000E+01 volume  0.14712E-02 ppm1      1.401 ppm2      3.519 CV     1
 ASSI { 1200}
   (( segid "    " and resid 72   and name HG2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.200     1.300     1.300 peak  1200 spectrum    1 weight  0.10000E+01 volume  0.17990E-02 ppm1      1.507 ppm2      3.606 CV     1
 ASSI { 1202}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HA  ))
      2.900     1.100     1.100 peak  1202 spectrum    1 weight  0.10000E+01 volume  0.15441E-02 ppm1      1.651 ppm2      3.606 CV     1
 ASSI { 1205}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD1 ))
      2.600     0.800     0.800 peak  1205 spectrum    1 weight  0.10000E+01 volume  0.39502E-02 ppm1      1.749 ppm2      3.268 CV     1
 OR { 1205}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD2 ))
 OR { 1205}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HD1 ))
 OR { 1205}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 1210}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 40   and name HB1 ))
      4.200     2.200     1.800 peak  1210 spectrum    1 weight  0.10000E+01 volume  0.79427E-03 ppm1      1.827 ppm2      3.010 CV     1
 ASSI { 1212}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HB  ))
      2.400     0.700     0.700 peak  1212 spectrum    1 weight  0.10000E+01 volume  0.26606E-02 ppm1      1.826 ppm2      2.453 CV     1
 ASSI { 1216}
   (( segid "    " and resid 72   and name HG1 ))
   (( segid "    " and resid 72   and name HD2 ))
      3.100     1.200     1.200 peak  1216 spectrum    1 weight  0.10000E+01 volume  0.18769E-02 ppm1      1.657 ppm2      3.019 CV     1
 ASSI { 1219}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HB  ))
      3.200     1.300     1.300 peak  1219 spectrum    1 weight  0.10000E+01 volume  0.13691E-02 ppm1      1.538 ppm2      2.453 CV     1
 ASSI { 1223}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HD1 ))
      2.800     0.900     0.900 peak  1223 spectrum    1 weight  0.10000E+01 volume  0.24336E-02 ppm1      0.984 ppm2      3.089 CV     1
 ASSI { 1225}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB1 ))
      2.500     0.800     0.800 peak  1225 spectrum    1 weight  0.10000E+01 volume  0.40003E-02 ppm1      1.124 ppm2      2.330 CV     1
 ASSI { 1226}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HB1 ))
      2.400     0.700     0.700 peak  1226 spectrum    1 weight  0.10000E+01 volume  0.31900E-02 ppm1      1.124 ppm2      2.235 CV     1
 ASSI { 1229}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HB2 ))
      3.200     1.300     1.300 peak  1229 spectrum    1 weight  0.10000E+01 volume  0.17786E-02 ppm1      1.123 ppm2      2.005 CV     1
 ASSI { 1230}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HG  ))
      2.100     0.600     0.600 peak  1230 spectrum    1 weight  0.10000E+01 volume  0.82489E-02 ppm1      1.125 ppm2      1.887 CV     1
 ASSI { 1231}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB1 ))
      2.600     0.900     0.900 peak  1231 spectrum    1 weight  0.10000E+01 volume  0.30783E-02 ppm1      1.165 ppm2      2.041 CV     1
 OR { 1231}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 1232}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB2 ))
      2.700     0.900     0.900 peak  1232 spectrum    1 weight  0.10000E+01 volume  0.20923E-02 ppm1      1.400 ppm2      2.043 CV     1
 OR { 1232}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 1235}
   (( segid "    " and resid 61   and name HG2 ))
   (( segid "    " and resid 61   and name HB1 ))
      2.400     0.700     0.700 peak  1235 spectrum    1 weight  0.10000E+01 volume  0.54227E-02 ppm1      2.143 ppm2      2.539 CV     1
 OR { 1235}
   (( segid "    " and resid 61   and name HG1 ))
   (( segid "    " and resid 61   and name HB1 ))
 ASSI { 1237}
   (( segid "    " and resid 61   and name HG1 ))
   (  segid "    " and resid 64   and name HG2%)
      2.900     1.100     1.100 peak  1237 spectrum    1 weight  0.10000E+01 volume  0.22619E-02 ppm1      2.136 ppm2      1.022 CV     1
 OR { 1237}
   (( segid "    " and resid 61   and name HG2 ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 1243}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 14   and name HD2%)
      2.300     0.600     0.600 peak  1243 spectrum    1 weight  0.10000E+01 volume  0.68722E-02 ppm1      1.873 ppm2      0.891 CV     1
 ASSI { 1253}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.200     1.300     1.300 peak  1253 spectrum    1 weight  0.10000E+01 volume  0.12581E-02 ppm1      1.881 ppm2      1.444 CV     1
 ASSI { 1254}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.200     0.600     0.600 peak  1254 spectrum    1 weight  0.10000E+01 volume  0.69543E-02 ppm1      1.709 ppm2      1.481 CV     1
 ASSI { 1256}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 82   and name HD2%)
      3.200     1.300     1.300 peak  1256 spectrum    1 weight  0.10000E+01 volume  0.95647E-03 ppm1      1.552 ppm2      0.990 CV     1
 OR { 1256}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1259}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 5    and name HD1%)
      2.700     0.900     0.900 peak  1259 spectrum    1 weight  0.10000E+01 volume  0.18173E-02 ppm1      1.564 ppm2      0.609 CV     1
 ASSI { 1261}
   (( segid "    " and resid 60   and name HG11))
   (( segid "    " and resid 60   and name HG12))
      1.800     0.400     0.400 peak  1261 spectrum    1 weight  0.10000E+01 volume  0.87271E-02 ppm1      1.481 ppm2      1.113 CV     1
 ASSI { 1263}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HG2 ))
      1.700     0.400     0.500 peak  1263 spectrum    1 weight  0.10000E+01 volume  0.14821E-01 ppm1      1.360 ppm2      0.982 CV     1
 ASSI { 1266}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 31   and name HD1%)
      2.800     1.000     1.000 peak  1266 spectrum    1 weight  0.10000E+01 volume  0.39263E-02 ppm1      1.124 ppm2      0.456 CV     1
 ASSI { 1270}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 5    and name HD1%)
      4.100     2.100     1.900 peak  1270 spectrum    1 weight  0.10000E+01 volume  0.86491E-03 ppm1      1.123 ppm2      0.612 CV     1
 ASSI { 1273}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.700     0.900     0.900 peak  1273 spectrum    1 weight  0.10000E+01 volume  0.35200E-02 ppm1      1.199 ppm2      1.025 CV     1
 ASSI { 1275}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HB2 ))
      2.800     1.000     1.000 peak  1275 spectrum    1 weight  0.10000E+01 volume  0.31107E-02 ppm1      0.983 ppm2      1.611 CV     1
 ASSI { 1276}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HG1 ))
      1.700     0.400     0.500 peak  1276 spectrum    1 weight  0.10000E+01 volume  0.10632E-01 ppm1      1.165 ppm2      1.401 CV     1
 ASSI { 1280}
   (( segid "    " and resid 60   and name HG12))
   (( segid "    " and resid 60   and name HB  ))
      2.900     1.000     1.000 peak  1280 spectrum    1 weight  0.10000E+01 volume  0.13734E-02 ppm1      1.112 ppm2      1.783 CV     1
 ASSI { 1282}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.100     0.600     0.600 peak  1282 spectrum    1 weight  0.10000E+01 volume  0.49723E-02 ppm1      1.350 ppm2      1.499 CV     1
 ASSI { 1284}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HG11))
      1.500     0.300     0.700 peak  1284 spectrum    1 weight  0.10000E+01 volume  0.10631E-01 ppm1      1.540 ppm2      1.825 CV     1
 ASSI { 1285}
   (( segid "    " and resid 4    and name HG  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.800     1.000     1.000 peak  1285 spectrum    1 weight  0.10000E+01 volume  0.55415E-02 ppm1      1.709 ppm2      1.598 CV     1
 ASSI { 1286}
   (( segid "    " and resid 33   and name HG  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.700     0.900     0.900 peak  1286 spectrum    1 weight  0.10000E+01 volume  0.20106E-02 ppm1      1.778 ppm2      1.416 CV     1
 ASSI { 1288}
   (( segid "    " and resid 67   and name HG1 ))
   (( segid "    " and resid 67   and name HB1 ))
      2.400     0.700     0.700 peak  1288 spectrum    1 weight  0.10000E+01 volume  0.58921E-02 ppm1      1.745 ppm2      2.072 CV     1
 OR { 1288}
   (( segid "    " and resid 67   and name HG2 ))
   (( segid "    " and resid 67   and name HB1 ))
 ASSI { 1295}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HN  ))
      2.800     1.000     1.000 peak  1295 spectrum    1 weight  0.10000E+01 volume  0.32913E-02 ppm1      2.340 ppm2      8.505 CV     1
 ASSI { 1296}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HN  ))
      2.500     0.800     0.800 peak  1296 spectrum    1 weight  0.10000E+01 volume  0.29066E-02 ppm1      2.201 ppm2      8.505 CV     1
 ASSI { 1298}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 48   and name HN  ))
      3.100     1.200     1.200 peak  1298 spectrum    1 weight  0.10000E+01 volume  0.93427E-03 ppm1      2.339 ppm2      8.319 CV     1
 ASSI { 1306}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HE  ))
      4.000     2.000     2.000 peak  1306 spectrum    1 weight  0.10000E+01 volume  0.39740E-03 ppm1      1.971 ppm2      7.558 CV     1
 ASSI { 1308}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HN  ))
      3.900     1.900     1.900 peak  1308 spectrum    1 weight  0.10000E+01 volume  0.16973E-02 ppm1      1.974 ppm2      8.116 CV     1
 ASSI { 1312}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HN  ))
      4.100     2.100     1.900 peak  1312 spectrum    1 weight  0.10000E+01 volume  0.78492E-03 ppm1      1.725 ppm2      8.116 CV     1
 ASSI { 1313}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HN  ))
      2.300     0.600     0.600 peak  1313 spectrum    1 weight  0.10000E+01 volume  0.25370E-02 ppm1      1.282 ppm2      8.272 CV     1
 ASSI { 1316}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 77   and name HN  ))
      5.000     3.200     1.000 peak  1316 spectrum    1 weight  0.10000E+01 volume  0.14373E-03 ppm1      1.286 ppm2      8.015 CV     1
 ASSI { 1317}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.800     1.800     1.800 peak  1317 spectrum    1 weight  0.10000E+01 volume  0.93514E-03 ppm1      1.688 ppm2      7.974 CV     1
 ASSI { 1320}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 37   and name HN  ))
      5.300     3.600     0.700 peak  1320 spectrum    1 weight  0.10000E+01 volume  0.36381E-03 ppm1      1.622 ppm2      7.577 CV     1
 ASSI { 1321}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 13   and name HN  ))
      4.600     2.600     1.400 peak  1321 spectrum    1 weight  0.10000E+01 volume  0.29008E-03 ppm1      1.916 ppm2      7.710 CV     1
 ASSI { 1323}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      5.700     4.000     0.300 peak  1323 spectrum    1 weight  0.10000E+01 volume  0.20653E-03 ppm1      2.365 ppm2      4.846 CV     1
 ASSI { 1324}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      4.700     2.700     1.300 peak  1324 spectrum    1 weight  0.10000E+01 volume  0.19011E-03 ppm1      2.503 ppm2      4.846 CV     1
 ASSI { 1331}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HA  ))
      2.600     0.800     0.800 peak  1331 spectrum    1 weight  0.10000E+01 volume  0.35302E-02 ppm1      2.205 ppm2      4.230 CV     1
 ASSI { 1333}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.100     1.200     1.200 peak  1333 spectrum    1 weight  0.10000E+01 volume  0.14063E-02 ppm1      1.975 ppm2      4.239 CV     1
 ASSI { 1335}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HA  ))
      3.700     1.700     1.700 peak  1335 spectrum    1 weight  0.10000E+01 volume  0.81756E-03 ppm1      1.938 ppm2      4.732 CV     1
 ASSI { 1341}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HD1 ))
      2.900     1.100     1.100 peak  1341 spectrum    1 weight  0.10000E+01 volume  0.29175E-02 ppm1      1.692 ppm2      3.340 CV     1
 ASSI { 1342}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HD2 ))
      2.900     1.000     1.000 peak  1342 spectrum    1 weight  0.10000E+01 volume  0.13729E-02 ppm1      1.625 ppm2      3.344 CV     1
 ASSI { 1353}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HG1 ))
      2.400     0.700     0.700 peak  1353 spectrum    1 weight  0.10000E+01 volume  0.42368E-02 ppm1      2.357 ppm2      2.761 CV     1
 ASSI { 1356}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HG1 ))
      2.800     1.000     1.000 peak  1356 spectrum    1 weight  0.10000E+01 volume  0.39747E-02 ppm1      2.340 ppm2      2.606 CV     1
 ASSI { 1359}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 47   and name HB1 ))
      1.700     0.300     0.500 peak  1359 spectrum    1 weight  0.10000E+01 volume  0.15915E-01 ppm1      2.201 ppm2      2.338 CV     1
 ASSI { 1363}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG1 ))
      2.200     0.600     0.600 peak  1363 spectrum    1 weight  0.10000E+01 volume  0.10680E-01 ppm1      2.134 ppm2      2.495 CV     1
 OR { 1363}
   (( segid "    " and resid 36   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI { 1364}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.900     1.000     1.000 peak  1364 spectrum    1 weight  0.10000E+01 volume  0.39375E-02 ppm1      1.966 ppm2      2.190 CV     1
 ASSI { 1365}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 51   and name HG2 ))
      1.800     0.400     0.400 peak  1365 spectrum    1 weight  0.10000E+01 volume  0.10273E-01 ppm1      1.974 ppm2      1.733 CV     1
 ASSI { 1366}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HG2 ))
      1.700     0.300     0.500 peak  1366 spectrum    1 weight  0.10000E+01 volume  0.12724E-01 ppm1      1.916 ppm2      1.687 CV     1
 ASSI { 1367}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HG2 ))
      1.800     0.400     0.400 peak  1367 spectrum    1 weight  0.10000E+01 volume  0.77645E-02 ppm1      1.936 ppm2      1.638 CV     1
 ASSI { 1368}
   (( segid "    " and resid 51   and name HG2 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.800     1.000     1.000 peak  1368 spectrum    1 weight  0.10000E+01 volume  0.17331E-02 ppm1      1.729 ppm2      2.190 CV     1
 ASSI { 1369}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB1 ))
      2.500     0.800     0.800 peak  1369 spectrum    1 weight  0.10000E+01 volume  0.28348E-02 ppm1      1.624 ppm2      2.171 CV     1
 ASSI { 1374}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.300     1.400     1.400 peak  1374 spectrum    1 weight  0.10000E+01 volume  0.16540E-02 ppm1      1.628 ppm2      1.869 CV     1
 ASSI { 1377}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HG11))
      1.600     0.300     0.600 peak  1377 spectrum    1 weight  0.10000E+01 volume  0.11516E-01 ppm1      1.282 ppm2      1.726 CV     1
 ASSI { 1381}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HB2 ))
      1.900     0.400     0.400 peak  1381 spectrum    1 weight  0.10000E+01 volume  0.83439E-02 ppm1      2.506 ppm2      2.343 CV     1
 OR { 1381}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI { 1384}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 58   and name HG1%)
      5.600     3.900     0.400 peak  1384 spectrum    1 weight  0.10000E+01 volume  0.39390E-03 ppm1      2.354 ppm2      0.930 CV     1
 ASSI { 1388}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 5    and name HD1%)
      3.700     1.700     1.700 peak  1388 spectrum    1 weight  0.10000E+01 volume  0.53587E-03 ppm1      1.724 ppm2      0.609 CV     1
 ASSI { 1389}
   (( segid "    " and resid 34   and name HG2 ))
   (  segid "    " and resid 70   and name HG2%)
      3.100     1.200     1.200 peak  1389 spectrum    1 weight  0.10000E+01 volume  0.94697E-03 ppm1      1.631 ppm2      1.066 CV     1
 ASSI { 1391}
   (( segid "    " and resid 78   and name HG12))
   (  segid "    " and resid 5    and name HD1%)
      4.800     2.900     1.200 peak  1391 spectrum    1 weight  0.10000E+01 volume  0.41208E-03 ppm1      1.278 ppm2      0.613 CV     1
 ASSI { 1401}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak  1401 spectrum    1 weight  0.10000E+01 volume  0.16526E-02 ppm1      1.601 ppm2      9.001 CV     1
 ASSI { 1402}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 36   and name HN  ))
      3.600     1.600     1.600 peak  1402 spectrum    1 weight  0.10000E+01 volume  0.38599E-03 ppm1      2.178 ppm2      9.551 CV     1
 ASSI { 1403}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.000     1.100     1.100 peak  1403 spectrum    1 weight  0.10000E+01 volume  0.10913E-02 ppm1      2.198 ppm2      8.415 CV     1
 ASSI { 1405}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      2.900     1.000     1.000 peak  1405 spectrum    1 weight  0.10000E+01 volume  0.25314E-02 ppm1      2.070 ppm2      8.477 CV     1
 ASSI { 1409}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      4.200     2.300     1.800 peak  1409 spectrum    1 weight  0.10000E+01 volume  0.61880E-03 ppm1      2.475 ppm2      9.096 CV     1
 ASSI { 1410}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      4.100     2.100     1.900 peak  1410 spectrum    1 weight  0.10000E+01 volume  0.57423E-03 ppm1      2.276 ppm2      9.098 CV     1
 ASSI { 1412}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      3.000     1.200     1.200 peak  1412 spectrum    1 weight  0.10000E+01 volume  0.12823E-02 ppm1      2.047 ppm2      7.215 CV     1
 OR { 1412}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 1413}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HN  ))
      2.800     1.000     1.000 peak  1413 spectrum    1 weight  0.10000E+01 volume  0.22747E-02 ppm1      2.033 ppm2      8.108 CV     1
 ASSI { 1414}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak  1414 spectrum    1 weight  0.10000E+01 volume  0.68970E-02 ppm1      2.027 ppm2      7.974 CV     1
 OR { 1414}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 1416}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.500     1.500     1.500 peak  1416 spectrum    1 weight  0.10000E+01 volume  0.25246E-02 ppm1      2.255 ppm2      8.220 CV     1
 ASSI { 1417}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak  1417 spectrum    1 weight  0.10000E+01 volume  0.29153E-02 ppm1      2.141 ppm2      8.217 CV     1
 ASSI { 1422}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      3.100     1.200     1.200 peak  1422 spectrum    1 weight  0.10000E+01 volume  0.83372E-03 ppm1      1.853 ppm2      7.556 CV     1
 ASSI { 1429}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      3.600     1.600     1.600 peak  1429 spectrum    1 weight  0.10000E+01 volume  0.60465E-03 ppm1      2.473 ppm2      7.715 CV     1
 ASSI { 1430}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      3.400     1.500     1.500 peak  1430 spectrum    1 weight  0.10000E+01 volume  0.13701E-02 ppm1      2.470 ppm2      7.474 CV     1
 ASSI { 1431}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HN  ))
      3.700     1.700     1.700 peak  1431 spectrum    1 weight  0.10000E+01 volume  0.20545E-02 ppm1      2.273 ppm2      7.744 CV     1
 ASSI { 1434}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 70   and name HN  ))
      3.100     1.200     1.200 peak  1434 spectrum    1 weight  0.10000E+01 volume  0.14833E-02 ppm1      2.274 ppm2      7.474 CV     1
 ASSI { 1438}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HE  ))
      3.400     1.400     1.400 peak  1438 spectrum    1 weight  0.10000E+01 volume  0.57398E-03 ppm1      2.179 ppm2      7.984 CV     1
 ASSI { 1443}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HA  ))
      3.800     1.800     1.800 peak  1443 spectrum    1 weight  0.10000E+01 volume  0.63176E-03 ppm1      1.858 ppm2      4.733 CV     1
 ASSI { 1447}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HD2 ))
      3.700     1.700     1.700 peak  1447 spectrum    1 weight  0.10000E+01 volume  0.10303E-02 ppm1      1.857 ppm2      3.346 CV     1
 ASSI { 1449}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      2.800     1.000     1.000 peak  1449 spectrum    1 weight  0.10000E+01 volume  0.14852E-02 ppm1      1.601 ppm2      3.604 CV     1
 ASSI { 1450}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD1 ))
      3.800     1.800     1.800 peak  1450 spectrum    1 weight  0.10000E+01 volume  0.61203E-03 ppm1      1.600 ppm2      3.495 CV     1
 ASSI { 1454}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD1 ))
      2.900     1.100     1.100 peak  1454 spectrum    1 weight  0.10000E+01 volume  0.18001E-02 ppm1      2.045 ppm2      3.206 CV     1
 OR { 1454}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HD2 ))
 OR { 1454}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD1 ))
 OR { 1454}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 1455}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak  1455 spectrum    1 weight  0.10000E+01 volume  0.49784E-02 ppm1      2.025 ppm2      4.029 CV     1
 OR { 1455}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI { 1458}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HA  ))
      3.100     1.200     1.200 peak  1458 spectrum    1 weight  0.10000E+01 volume  0.30094E-02 ppm1      2.126 ppm2      4.391 CV     1
 ASSI { 1461}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HA  ))
      3.400     1.400     1.400 peak  1461 spectrum    1 weight  0.10000E+01 volume  0.14145E-02 ppm1      2.198 ppm2      4.239 CV     1
 ASSI { 1463}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.900     1.100     1.100 peak  1463 spectrum    1 weight  0.10000E+01 volume  0.40252E-02 ppm1      2.141 ppm2      4.205 CV     1
 ASSI { 1466}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.200     1.300     1.300 peak  1466 spectrum    1 weight  0.10000E+01 volume  0.11992E-02 ppm1      2.468 ppm2      4.237 CV     1
 ASSI { 1467}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 68   and name HA  ))
      4.200     2.200     1.800 peak  1467 spectrum    1 weight  0.10000E+01 volume  0.34994E-03 ppm1      2.471 ppm2      4.437 CV     1
 ASSI { 1469}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
      3.900     1.900     1.900 peak  1469 spectrum    1 weight  0.10000E+01 volume  0.62505E-03 ppm1      2.188 ppm2      3.293 CV     1
 ASSI { 1472}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HG1 ))
      2.800     1.000     1.000 peak  1472 spectrum    1 weight  0.10000E+01 volume  0.28508E-02 ppm1      2.466 ppm2      2.634 CV     1
 ASSI { 1476}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HG1 ))
      2.600     0.900     0.900 peak  1476 spectrum    1 weight  0.10000E+01 volume  0.31563E-02 ppm1      2.124 ppm2      2.538 CV     1
 ASSI { 1477}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 84   and name HG2 ))
      2.900     1.000     1.000 peak  1477 spectrum    1 weight  0.10000E+01 volume  0.29606E-02 ppm1      2.125 ppm2      2.460 CV     1
 ASSI { 1483}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG1 ))
      2.400     0.700     0.700 peak  1483 spectrum    1 weight  0.10000E+01 volume  0.81462E-02 ppm1      2.070 ppm2      2.407 CV     1
 OR { 1483}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI { 1484}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HG2 ))
      2.400     0.700     0.700 peak  1484 spectrum    1 weight  0.10000E+01 volume  0.54666E-02 ppm1      2.141 ppm2      2.389 CV     1
 ASSI { 1485}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 36   and name HG2 ))
      4.500     2.500     1.500 peak  1485 spectrum    1 weight  0.10000E+01 volume  0.36162E-03 ppm1      1.855 ppm2      2.490 CV     1
 OR { 1485}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI { 1486}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      1.900     0.400     0.400 peak  1486 spectrum    1 weight  0.10000E+01 volume  0.55631E-02 ppm1      1.854 ppm2      2.176 CV     1
 ASSI { 1487}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.400     0.700     0.700 peak  1487 spectrum    1 weight  0.10000E+01 volume  0.62866E-02 ppm1      2.029 ppm2      1.702 CV     1
 OR { 1487}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI { 1495}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HB2 ))
      1.800     0.400     0.400 peak  1495 spectrum    1 weight  0.10000E+01 volume  0.14946E-01 ppm1      2.230 ppm2      2.066 CV     1
 ASSI { 1497}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
      1.800     0.400     0.400 peak  1497 spectrum    1 weight  0.10000E+01 volume  0.96163E-02 ppm1      2.033 ppm2      2.192 CV     1
 ASSI { 1500}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      4.800     2.900     1.200 peak  1500 spectrum    1 weight  0.10000E+01 volume  0.13242E-02 ppm1      1.865 ppm2      1.028 CV     1
 ASSI { 1502}
   (( segid "    " and resid 73   and name HB1 ))
   (  segid "    " and resid 68   and name HG1%)
      3.000     1.100     1.100 peak  1502 spectrum    1 weight  0.10000E+01 volume  0.10038E-02 ppm1      2.467 ppm2      1.125 CV     1
 ASSI { 1503}
   (( segid "    " and resid 73   and name HB2 ))
   (  segid "    " and resid 68   and name HG1%)
      3.100     1.200     1.200 peak  1503 spectrum    1 weight  0.10000E+01 volume  0.20843E-02 ppm1      2.273 ppm2      1.125 CV     1
 ASSI { 1504}
   (( segid "    " and resid 73   and name HB1 ))
   (( segid "    " and resid 73   and name HB2 ))
      1.900     0.500     0.500 peak  1504 spectrum    1 weight  0.10000E+01 volume  0.60986E-02 ppm1      2.469 ppm2      2.276 CV     1
 ASSI { 1505}
   (( segid "    " and resid 72   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      4.700     2.800     1.300 peak  1505 spectrum    1 weight  0.10000E+01 volume  0.49327E-03 ppm1      1.857 ppm2      0.777 CV     1
 ASSI { 1507}
   (( segid "    " and resid 72   and name HB2 ))
   (  segid "    " and resid 31   and name HD1%)
      5.000     3.100     1.000 peak  1507 spectrum    1 weight  0.10000E+01 volume  0.31613E-03 ppm1      1.603 ppm2      0.455 CV     1
 ASSI { 1510}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HN  ))
      2.900     1.000     1.000 peak  1510 spectrum    1 weight  0.10000E+01 volume  0.22981E-02 ppm1      1.858 ppm2      7.492 CV     1
 ASSI { 1519}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      4.500     2.600     1.500 peak  1519 spectrum    1 weight  0.10000E+01 volume  0.88758E-03 ppm1      1.609 ppm2      7.438 CV     1
 ASSI { 1522}
   (( segid "    " and resid 55   and name HB2 ))
   (  segid "    " and resid 56   and name HE% )
      4.900     2.900     1.100 peak  1522 spectrum    1 weight  0.10000E+01 volume  0.41846E-03 ppm1      1.609 ppm2      6.804 CV     1
 ASSI { 1528}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.600     0.800     0.800 peak  1528 spectrum    1 weight  0.10000E+01 volume  0.12208E-02 ppm1      1.897 ppm2      4.304 CV     1
 ASSI { 1530}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 52   and name HA  ))
      4.400     2.400     1.600 peak  1530 spectrum    1 weight  0.10000E+01 volume  0.58627E-03 ppm1      1.623 ppm2      4.313 CV     1
 ASSI { 1532}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 64   and name HA  ))
      3.400     1.400     1.400 peak  1532 spectrum    1 weight  0.10000E+01 volume  0.50979E-03 ppm1      2.080 ppm2      3.824 CV     1
 ASSI { 1533}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD2 ))
      3.100     1.200     1.200 peak  1533 spectrum    1 weight  0.10000E+01 volume  0.17446E-02 ppm1      1.858 ppm2      3.265 CV     1
 OR { 1533}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HD1 ))
 ASSI { 1534}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD1 ))
      2.900     1.000     1.000 peak  1534 spectrum    1 weight  0.10000E+01 volume  0.18354E-02 ppm1      2.078 ppm2      3.269 CV     1
 OR { 1534}
   (( segid "    " and resid 67   and name HB1 ))
   (( segid "    " and resid 67   and name HD2 ))
 ASSI { 1535}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HD2 ))
      3.300     1.400     1.400 peak  1535 spectrum    1 weight  0.10000E+01 volume  0.13181E-02 ppm1      1.894 ppm2      3.017 CV     1
 ASSI { 1536}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HB1 ))
      1.600     0.300     0.600 peak  1536 spectrum    1 weight  0.10000E+01 volume  0.16041E-01 ppm1      1.858 ppm2      2.076 CV     1
 ASSI { 1539}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.700     0.900     0.900 peak  1539 spectrum    1 weight  0.10000E+01 volume  0.35687E-02 ppm1      1.895 ppm2      1.364 CV     1
 ASSI { 1541}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.600     0.900     0.900 peak  1541 spectrum    1 weight  0.10000E+01 volume  0.34605E-02 ppm1      1.614 ppm2      1.363 CV     1
 ASSI { 1543}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.600     0.900     0.900 peak  1543 spectrum    1 weight  0.10000E+01 volume  0.20474E-02 ppm1      1.896 ppm2      0.989 CV     1
 ASSI { 1548}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG2 ))
      2.300     0.600     0.600 peak  1548 spectrum    1 weight  0.10000E+01 volume  0.80522E-02 ppm1      1.858 ppm2      1.749 CV     1
 OR { 1548}
   (( segid "    " and resid 67   and name HB2 ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1549}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HN  ))
      4.600     2.600     1.400 peak  1549 spectrum    1 weight  0.10000E+01 volume  0.44362E-03 ppm1      2.835 ppm2      8.505 CV     1
 ASSI { 1550}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      5.000     3.100     1.000 peak  1550 spectrum    1 weight  0.10000E+01 volume  0.46486E-03 ppm1      2.755 ppm2      8.494 CV     1
 ASSI { 1551}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HN  ))
      2.400     0.700     0.700 peak  1551 spectrum    1 weight  0.10000E+01 volume  0.22525E-02 ppm1      2.836 ppm2      8.227 CV     1
 ASSI { 1552}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.200     1.300     1.300 peak  1552 spectrum    1 weight  0.10000E+01 volume  0.22418E-02 ppm1      2.750 ppm2      8.227 CV     1
 ASSI { 1553}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 66   and name HN  ))
      5.200     3.300     0.800 peak  1553 spectrum    1 weight  0.10000E+01 volume  0.16091E-03 ppm1      2.836 ppm2      8.036 CV     1
 ASSI { 1554}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 66   and name HN  ))
      4.700     2.800     1.300 peak  1554 spectrum    1 weight  0.10000E+01 volume  0.15719E-03 ppm1      2.750 ppm2      8.036 CV     1
 ASSI { 1555}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      3.300     1.300     1.300 peak  1555 spectrum    1 weight  0.10000E+01 volume  0.16134E-02 ppm1      2.541 ppm2      8.822 CV     1
 ASSI { 1556}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.700     1.700     1.700 peak  1556 spectrum    1 weight  0.10000E+01 volume  0.88748E-03 ppm1      2.538 ppm2      8.617 CV     1
 ASSI { 1557}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.300     2.300     1.700 peak  1557 spectrum    1 weight  0.10000E+01 volume  0.65495E-03 ppm1      2.249 ppm2      8.999 CV     1
 ASSI { 1561}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 65   and name HN  ))
      2.300     0.700     0.700 peak  1561 spectrum    1 weight  0.10000E+01 volume  0.32861E-02 ppm1      2.209 ppm2      8.219 CV     1
 ASSI { 1562}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 16   and name HN  ))
      2.200     0.600     0.600 peak  1562 spectrum    1 weight  0.10000E+01 volume  0.43324E-02 ppm1      2.270 ppm2      8.222 CV     1
 ASSI { 1563}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak  1563 spectrum    1 weight  0.10000E+01 volume  0.59649E-02 ppm1      2.271 ppm2      8.454 CV     1
 ASSI { 1564}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 64   and name HN  ))
      2.300     0.700     0.700 peak  1564 spectrum    1 weight  0.10000E+01 volume  0.51180E-02 ppm1      2.208 ppm2      7.402 CV     1
 ASSI { 1565}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 64   and name HN  ))
      4.700     2.800     1.300 peak  1565 spectrum    1 weight  0.10000E+01 volume  0.75208E-03 ppm1      2.540 ppm2      7.401 CV     1
 ASSI { 1566}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      3.800     1.800     1.800 peak  1566 spectrum    1 weight  0.10000E+01 volume  0.10021E-02 ppm1      2.248 ppm2      7.312 CV     1
 OR { 1566}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1567}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
      2.700     0.900     0.900 peak  1567 spectrum    1 weight  0.10000E+01 volume  0.15826E-02 ppm1      2.248 ppm2      7.211 CV     1
 ASSI { 1568}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 35   and name HE% )
      4.000     2.000     2.000 peak  1568 spectrum    1 weight  0.10000E+01 volume  0.75218E-03 ppm1      2.249 ppm2      6.895 CV     1
 OR { 1568}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 1570}
   (( segid "    " and resid 71   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      3.600     1.700     1.700 peak  1570 spectrum    1 weight  0.10000E+01 volume  0.79360E-03 ppm1      2.013 ppm2      7.210 CV     1
 ASSI { 1577}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD1 ))
      4.000     2.000     2.000 peak  1577 spectrum    1 weight  0.10000E+01 volume  0.12307E-02 ppm1      2.055 ppm2      4.009 CV     1
 ASSI { 1578}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HD2 ))
      3.400     1.500     1.500 peak  1578 spectrum    1 weight  0.10000E+01 volume  0.86460E-03 ppm1      2.060 ppm2      3.573 CV     1
 ASSI { 1581}
   (( segid "    " and resid 64   and name HB  ))
   (( segid "    " and resid 61   and name HD2 ))
      2.900     1.000     1.000 peak  1581 spectrum    1 weight  0.10000E+01 volume  0.10504E-02 ppm1      2.209 ppm2      3.572 CV     1
 ASSI { 1584}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 12   and name HA  ))
      2.600     0.800     0.800 peak  1584 spectrum    1 weight  0.10000E+01 volume  0.32286E-02 ppm1      2.270 ppm2      4.033 CV     1
 ASSI { 1585}
   (( segid "    " and resid 15   and name HB  ))
   (( segid "    " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak  1585 spectrum    1 weight  0.10000E+01 volume  0.35541E-02 ppm1      2.271 ppm2      3.935 CV     1
 ASSI { 1589}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD1 ))
      3.900     1.900     1.900 peak  1589 spectrum    1 weight  0.10000E+01 volume  0.13174E-02 ppm1      2.539 ppm2      4.012 CV     1
 ASSI { 1591}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HD2 ))
      4.000     2.000     2.000 peak  1591 spectrum    1 weight  0.10000E+01 volume  0.11498E-02 ppm1      2.538 ppm2      3.572 CV     1
 ASSI { 1593}
   (( segid "    " and resid 61   and name HB1 ))
   (( segid "    " and resid 61   and name HA  ))
      2.200     0.600     0.600 peak  1593 spectrum    1 weight  0.10000E+01 volume  0.64896E-02 ppm1      2.540 ppm2      4.527 CV     1
 ASSI { 1598}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 66   and name HA1 ))
      4.800     2.900     1.200 peak  1598 spectrum    1 weight  0.10000E+01 volume  0.20257E-03 ppm1      2.834 ppm2      4.126 CV     1
 ASSI { 1599}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 66   and name HA1 ))
      4.700     2.700     1.300 peak  1599 spectrum    1 weight  0.10000E+01 volume  0.21792E-03 ppm1      2.750 ppm2      4.128 CV     1
 ASSI { 1600}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 62   and name HA  ))
      4.900     3.000     1.100 peak  1600 spectrum    1 weight  0.10000E+01 volume  0.27439E-03 ppm1      2.840 ppm2      4.459 CV     1
 ASSI { 1601}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 62   and name HA  ))
      4.000     2.000     2.000 peak  1601 spectrum    1 weight  0.10000E+01 volume  0.21830E-03 ppm1      2.757 ppm2      4.462 CV     1
 ASSI { 1605}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HG2 ))
      2.400     0.700     0.700 peak  1605 spectrum    1 weight  0.10000E+01 volume  0.74046E-02 ppm1      2.314 ppm2      2.750 CV     1
 OR { 1605}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 1606}
   (( segid "    " and resid 61   and name HB2 ))
   (( segid "    " and resid 61   and name HB1 ))
      1.700     0.400     0.500 peak  1606 spectrum    1 weight  0.10000E+01 volume  0.10389E-01 ppm1      2.060 ppm2      2.538 CV     1
 ASSI { 1608}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HB1 ))
      2.200     0.600     0.600 peak  1608 spectrum    1 weight  0.10000E+01 volume  0.85309E-02 ppm1      2.836 ppm2      2.318 CV     1
 OR { 1608}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 1615}
   (( segid "    " and resid 71   and name HB2 ))
   (( segid "    " and resid 71   and name HB1 ))
      1.900     0.400     0.400 peak  1615 spectrum    1 weight  0.10000E+01 volume  0.52833E-02 ppm1      2.011 ppm2      2.243 CV     1
 ASSI { 1618}
   (( segid "    " and resid 71   and name HB1 ))
   (( segid "    " and resid 71   and name HG2 ))
      2.800     1.000     1.000 peak  1618 spectrum    1 weight  0.10000E+01 volume  0.23120E-02 ppm1      2.247 ppm2      1.312 CV     1
 ASSI { 1626}
   (( segid "    " and resid 61   and name HB1 ))
   (  segid "    " and resid 64   and name HG2%)
      4.200     2.200     1.800 peak  1626 spectrum    1 weight  0.10000E+01 volume  0.17275E-02 ppm1      2.540 ppm2      1.021 CV     1
 ASSI { 1633}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HB1 ))
      4.500     2.500     1.500 peak  1633 spectrum    1 weight  0.10000E+01 volume  0.20742E-03 ppm1      2.837 ppm2      1.634 CV     1
 ASSI { 1634}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HB1 ))
      4.700     2.700     1.300 peak  1634 spectrum    1 weight  0.10000E+01 volume  0.29732E-03 ppm1      2.748 ppm2      1.635 CV     1
 ASSI { 1637}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 65   and name HB% )
      3.700     1.700     1.700 peak  1637 spectrum    1 weight  0.10000E+01 volume  0.25784E-03 ppm1      2.753 ppm2      1.386 CV     1
 ASSI { 1638}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 65   and name HB% )
      5.200     3.300     0.800 peak  1638 spectrum    1 weight  0.10000E+01 volume  0.24797E-03 ppm1      2.840 ppm2      1.385 CV     1
 ASSI { 1650}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 45   and name HD1%)
      4.600     2.700     1.400 peak  1650 spectrum    1 weight  0.10000E+01 volume  0.32245E-03 ppm1      2.402 ppm2      0.232 CV     1
 ASSI { 1654}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.500     1.500     1.500 peak  1654 spectrum    1 weight  0.10000E+01 volume  0.45292E-03 ppm1      2.402 ppm2      1.707 CV     1
 ASSI { 1658}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HA  ))
      2.400     0.700     0.700 peak  1658 spectrum    1 weight  0.10000E+01 volume  0.40766E-02 ppm1      2.402 ppm2      4.437 CV     1
 ASSI { 1663}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 35   and name HE% )
      3.400     1.500     1.500 peak  1663 spectrum    1 weight  0.10000E+01 volume  0.45490E-03 ppm1      2.399 ppm2      6.920 CV     1
 ASSI { 1665}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HN  ))
      3.700     1.700     1.700 peak  1665 spectrum    1 weight  0.10000E+01 volume  0.43090E-03 ppm1      2.405 ppm2      7.723 CV     1
 ASSI { 1667}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 68   and name HN  ))
      3.500     1.600     1.600 peak  1667 spectrum    1 weight  0.10000E+01 volume  0.16419E-02 ppm1      2.401 ppm2      7.325 CV     1
 ASSI { 1668}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 69   and name HN  ))
      3.500     1.500     1.500 peak  1668 spectrum    1 weight  0.10000E+01 volume  0.18435E-02 ppm1      2.399 ppm2      9.095 CV     1
 ASSI { 1671}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HN  ))
      3.700     1.700     1.700 peak  1671 spectrum    1 weight  0.10000E+01 volume  0.17678E-02 ppm1      2.311 ppm2      8.964 CV     1
 ASSI { 1672}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 59   and name HN  ))
      2.300     0.600     0.600 peak  1672 spectrum    1 weight  0.10000E+01 volume  0.49181E-02 ppm1      2.133 ppm2      8.484 CV     1
 ASSI { 1673}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HN  ))
      4.100     2.100     1.900 peak  1673 spectrum    1 weight  0.10000E+01 volume  0.15346E-02 ppm1      2.605 ppm2      8.504 CV     1
 ASSI { 1674}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HN  ))
      4.200     2.200     1.800 peak  1674 spectrum    1 weight  0.10000E+01 volume  0.16005E-02 ppm1      2.462 ppm2      8.506 CV     1
 ASSI { 1676}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 54   and name HN  ))
      4.800     2.900     1.200 peak  1676 spectrum    1 weight  0.10000E+01 volume  0.66827E-03 ppm1      2.315 ppm2      8.036 CV     1
 ASSI { 1677}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 58   and name HN  ))
      3.600     1.600     1.600 peak  1677 spectrum    1 weight  0.10000E+01 volume  0.12303E-02 ppm1      2.134 ppm2      7.532 CV     1
 ASSI { 1688}
   (( segid "    " and resid 47   and name HG2 ))
   (( segid "    " and resid 47   and name HA  ))
      3.400     1.400     1.400 peak  1688 spectrum    1 weight  0.10000E+01 volume  0.19334E-02 ppm1      2.464 ppm2      4.228 CV     1
 ASSI { 1691}
   (( segid "    " and resid 36   and name HG1 ))
   (( segid "    " and resid 36   and name HA  ))
      2.900     1.100     1.100 peak  1691 spectrum    1 weight  0.10000E+01 volume  0.36628E-02 ppm1      2.499 ppm2      4.359 CV     1
 OR { 1691}
   (( segid "    " and resid 36   and name HG2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1693}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 50   and name HA  ))
      4.400     2.400     1.600 peak  1693 spectrum    1 weight  0.10000E+01 volume  0.68639E-03 ppm1      2.313 ppm2      4.263 CV     1
 ASSI { 1696}
   (( segid "    " and resid 58   and name HB  ))
   (( segid "    " and resid 53   and name HA  ))
      4.500     2.500     1.500 peak  1696 spectrum    1 weight  0.10000E+01 volume  0.58306E-03 ppm1      2.134 ppm2      4.086 CV     1
 ASSI { 1698}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 59   and name HA  ))
      3.400     1.400     1.400 peak  1698 spectrum    1 weight  0.10000E+01 volume  0.40899E-03 ppm1      2.313 ppm2      4.835 CV     1
 ASSI { 1701}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HB1 ))
      2.200     0.600     0.600 peak  1701 spectrum    1 weight  0.10000E+01 volume  0.53297E-02 ppm1      2.309 ppm2      2.506 CV     1
 ASSI { 1702}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HB1 ))
      2.800     1.000     1.000 peak  1702 spectrum    1 weight  0.10000E+01 volume  0.51358E-02 ppm1      2.762 ppm2      2.505 CV     1
 ASSI { 1703}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HG2 ))
      1.600     0.300     0.600 peak  1703 spectrum    1 weight  0.10000E+01 volume  0.12090E-01 ppm1      2.761 ppm2      2.321 CV     1
 ASSI { 1706}
   (( segid "    " and resid 47   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
      2.600     0.800     0.800 peak  1706 spectrum    1 weight  0.10000E+01 volume  0.40059E-02 ppm1      2.608 ppm2      2.201 CV     1
 ASSI { 1709}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 81   and name HB% )
      2.600     0.900     0.900 peak  1709 spectrum    1 weight  0.10000E+01 volume  0.29662E-02 ppm1      2.134 ppm2      1.625 CV     1
 ASSI { 1710}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 60   and name HG11))
      4.400     2.400     1.600 peak  1710 spectrum    1 weight  0.10000E+01 volume  0.40187E-03 ppm1      2.317 ppm2      1.480 CV     1
 ASSI { 1714}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG2%)
      2.000     0.500     0.500 peak  1714 spectrum    1 weight  0.10000E+01 volume  0.10983E-01 ppm1      2.133 ppm2      0.950 CV     1
 OR { 1714}
   (( segid "    " and resid 58   and name HB  ))
   (  segid "    " and resid 58   and name HG1%)
 ASSI { 1717}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 58   and name HG1%)
      5.400     3.600     0.600 peak  1717 spectrum    1 weight  0.10000E+01 volume  0.55508E-03 ppm1      2.763 ppm2      0.923 CV     1
 ASSI { 1738}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.500     1.600     1.600 peak  1738 spectrum    1 weight  0.10000E+01 volume  0.24165E-02 ppm1      2.618 ppm2      8.219 CV     1
 ASSI { 1739}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak  1739 spectrum    1 weight  0.10000E+01 volume  0.17291E-02 ppm1      2.391 ppm2      8.220 CV     1
 ASSI { 1740}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 21   and name HN  ))
      4.500     2.500     1.500 peak  1740 spectrum    1 weight  0.10000E+01 volume  0.44270E-03 ppm1      2.401 ppm2      8.245 CV     1
 OR { 1740}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 21   and name HN  ))
 ASSI { 1741}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 69   and name HN  ))
      3.700     1.700     1.700 peak  1741 spectrum    1 weight  0.10000E+01 volume  0.21276E-03 ppm1      2.639 ppm2      9.097 CV     1
 ASSI { 1744}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 70   and name HN  ))
      3.900     1.900     1.900 peak  1744 spectrum    1 weight  0.10000E+01 volume  0.55471E-03 ppm1      2.634 ppm2      7.474 CV     1
 ASSI { 1745}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 70   and name HN  ))
      4.100     2.100     1.900 peak  1745 spectrum    1 weight  0.10000E+01 volume  0.56700E-03 ppm1      2.510 ppm2      7.477 CV     1
 ASSI { 1747}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HN  ))
      3.600     1.600     1.600 peak  1747 spectrum    1 weight  0.10000E+01 volume  0.14058E-02 ppm1      2.508 ppm2      7.835 CV     1
 ASSI { 1748}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 74   and name HN  ))
      4.500     2.600     1.500 peak  1748 spectrum    1 weight  0.10000E+01 volume  0.26423E-03 ppm1      2.637 ppm2      7.716 CV     1
 ASSI { 1751}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HN  ))
      3.400     1.400     1.400 peak  1751 spectrum    1 weight  0.10000E+01 volume  0.96871E-03 ppm1      2.463 ppm2      7.749 CV     1
 ASSI { 1758}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HA  ))
      3.600     1.700     1.700 peak  1758 spectrum    1 weight  0.10000E+01 volume  0.19438E-02 ppm1      2.616 ppm2      4.204 CV     1
 ASSI { 1759}
   (( segid "    " and resid 73   and name HG1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.000     1.100     1.100 peak  1759 spectrum    1 weight  0.10000E+01 volume  0.26093E-02 ppm1      2.638 ppm2      4.236 CV     1
 ASSI { 1761}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.300     1.400     1.400 peak  1761 spectrum    1 weight  0.10000E+01 volume  0.14109E-02 ppm1      2.491 ppm2      4.235 CV     1
 ASSI { 1766}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     1.200     1.200 peak  1766 spectrum    1 weight  0.10000E+01 volume  0.19911E-02 ppm1      2.390 ppm2      4.202 CV     1
 ASSI { 1774}
   (( segid "    " and resid 16   and name HG1 ))
   (  segid "    " and resid 15   and name HG1%)
      5.000     3.100     1.000 peak  1774 spectrum    1 weight  0.10000E+01 volume  0.51722E-03 ppm1      2.618 ppm2      1.030 CV     1
 ASSI { 1775}
   (( segid "    " and resid 73   and name HG1 ))
   (  segid "    " and resid 68   and name HG1%)
      3.600     1.600     1.600 peak  1775 spectrum    1 weight  0.10000E+01 volume  0.76494E-03 ppm1      2.641 ppm2      1.117 CV     1
 ASSI { 1776}
   (( segid "    " and resid 73   and name HG2 ))
   (  segid "    " and resid 68   and name HG1%)
      3.900     1.900     1.900 peak  1776 spectrum    1 weight  0.10000E+01 volume  0.57754E-03 ppm1      2.506 ppm2      1.123 CV     1
 ASSI { 1777}
   (( segid "    " and resid 84   and name HG1 ))
   (  segid "    " and resid 83   and name HB% )
      4.100     2.100     1.900 peak  1777 spectrum    1 weight  0.10000E+01 volume  0.53463E-03 ppm1      2.534 ppm2      1.607 CV     1
 ASSI { 1778}
   (( segid "    " and resid 84   and name HG2 ))
   (  segid "    " and resid 83   and name HB% )
      3.900     1.900     1.900 peak  1778 spectrum    1 weight  0.10000E+01 volume  0.55198E-03 ppm1      2.467 ppm2      1.609 CV     1
 ASSI { 1781}
   (( segid "    " and resid 84   and name HG1 ))
   (( segid "    " and resid 84   and name HB1 ))
      2.500     0.800     0.800 peak  1781 spectrum    1 weight  0.10000E+01 volume  0.76866E-02 ppm1      2.529 ppm2      2.273 CV     1
 ASSI { 1782}
   (( segid "    " and resid 84   and name HG2 ))
   (( segid "    " and resid 84   and name HB1 ))
      2.500     0.800     0.800 peak  1782 spectrum    1 weight  0.10000E+01 volume  0.75983E-02 ppm1      2.464 ppm2      2.275 CV     1
 ASSI { 1786}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HB1 ))
      2.300     0.600     0.600 peak  1786 spectrum    1 weight  0.10000E+01 volume  0.11563E-01 ppm1      2.403 ppm2      2.228 CV     1
 OR { 1786}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HB1 ))
 ASSI { 1788}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.700     0.900     0.900 peak  1788 spectrum    1 weight  0.10000E+01 volume  0.26539E-02 ppm1      2.617 ppm2      2.137 CV     1
 ASSI { 1798}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HN  ))
      2.400     0.700     0.700 peak  1798 spectrum    1 weight  0.10000E+01 volume  0.45164E-02 ppm1      1.937 ppm2      8.272 CV     1
 ASSI { 1807}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      4.500     2.600     1.500 peak  1807 spectrum    1 weight  0.10000E+01 volume  0.38275E-03 ppm1      3.578 ppm2      8.057 CV     1
 ASSI { 1810}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HD22))
      3.500     1.500     1.500 peak  1810 spectrum    1 weight  0.10000E+01 volume  0.17305E-02 ppm1      3.086 ppm2      7.670 CV     1
 ASSI { 1811}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HD22))
      3.500     1.500     1.500 peak  1811 spectrum    1 weight  0.10000E+01 volume  0.17634E-02 ppm1      2.767 ppm2      7.670 CV     1
 ASSI { 1814}
   (( segid "    " and resid 35   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      2.400     0.700     0.700 peak  1814 spectrum    1 weight  0.10000E+01 volume  0.38009E-02 ppm1      3.089 ppm2      7.114 CV     1
 ASSI { 1816}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      2.500     0.800     0.800 peak  1816 spectrum    1 weight  0.10000E+01 volume  0.35507E-02 ppm1      3.580 ppm2      7.114 CV     1
 ASSI { 1817}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
      2.600     0.800     0.800 peak  1817 spectrum    1 weight  0.10000E+01 volume  0.22838E-02 ppm1      3.087 ppm2      8.458 CV     1
 ASSI { 1818}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HN  ))
      2.700     0.900     0.900 peak  1818 spectrum    1 weight  0.10000E+01 volume  0.16775E-02 ppm1      3.088 ppm2      9.558 CV     1
 ASSI { 1821}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      2.900     1.100     1.100 peak  1821 spectrum    1 weight  0.10000E+01 volume  0.11758E-02 ppm1      3.088 ppm2      4.906 CV     1
 ASSI { 1822}
   (( segid "    " and resid 79   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      3.300     1.400     1.400 peak  1822 spectrum    1 weight  0.10000E+01 volume  0.16686E-02 ppm1      2.766 ppm2      4.901 CV     1
 ASSI { 1827}
   (( segid "    " and resid 79   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      4.400     2.400     1.600 peak  1827 spectrum    1 weight  0.10000E+01 volume  0.11117E-02 ppm1      3.085 ppm2      4.486 CV     1
 ASSI { 1829}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HA  ))
      2.900     1.100     1.100 peak  1829 spectrum    1 weight  0.10000E+01 volume  0.18679E-02 ppm1      1.936 ppm2      3.739 CV     1
 ASSI { 1830}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 40   and name HB2 ))
      2.400     0.700     0.700 peak  1830 spectrum    1 weight  0.10000E+01 volume  0.16734E-02 ppm1      3.579 ppm2      2.785 CV     1
 ASSI { 1833}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG11))
      2.400     0.700     0.700 peak  1833 spectrum    1 weight  0.10000E+01 volume  0.33566E-02 ppm1      1.937 ppm2      1.727 CV     1
 ASSI { 1836}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 4    and name HD2%)
      3.600     1.600     1.600 peak  1836 spectrum    1 weight  0.10000E+01 volume  0.39194E-03 ppm1      3.087 ppm2      0.950 CV     1
 ASSI { 1840}
   (( segid "    " and resid 78   and name HB  ))
   (( segid "    " and resid 78   and name HG12))
      2.600     0.900     0.900 peak  1840 spectrum    1 weight  0.10000E+01 volume  0.17369E-02 ppm1      1.936 ppm2      1.282 CV     1
 ASSI { 1847}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 45   and name HD2%)
      4.500     2.500     1.500 peak  1847 spectrum    1 weight  0.10000E+01 volume  0.71216E-03 ppm1      3.578 ppm2      0.348 CV     1
 ASSI { 1848}
   (( segid "    " and resid 35   and name HB1 ))
   (  segid "    " and resid 45   and name HD1%)
      3.400     1.500     1.500 peak  1848 spectrum    1 weight  0.10000E+01 volume  0.48858E-03 ppm1      3.578 ppm2      0.228 CV     1
 ASSI { 1854}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
      4.100     2.100     1.900 peak  1854 spectrum    1 weight  0.10000E+01 volume  0.49677E-03 ppm1      3.453 ppm2      0.626 CV     1
 OR { 1854}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1856}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
      4.300     2.300     1.700 peak  1856 spectrum    1 weight  0.10000E+01 volume  0.26830E-03 ppm1      2.785 ppm2      0.627 CV     1
 OR { 1856}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 1867}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      6.000     5.400     0.000 peak  1867 spectrum    1 weight  0.10000E+01 volume  0.13499E-03 ppm1      3.456 ppm2      4.293 CV     1
 ASSI { 1874}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HA  ))
      2.400     0.700     0.700 peak  1874 spectrum    1 weight  0.10000E+01 volume  0.55740E-02 ppm1      2.453 ppm2      4.661 CV     1
 ASSI { 1876}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HA  ))
      2.500     0.800     0.800 peak  1876 spectrum    1 weight  0.10000E+01 volume  0.43026E-02 ppm1      3.454 ppm2      4.679 CV     1
 ASSI { 1877}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HA  ))
      3.900     1.900     1.900 peak  1877 spectrum    1 weight  0.10000E+01 volume  0.76876E-03 ppm1      2.779 ppm2      4.676 CV     1
 ASSI { 1882}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 56   and name HE% )
      4.600     2.600     1.400 peak  1882 spectrum    1 weight  0.10000E+01 volume  0.56773E-03 ppm1      3.456 ppm2      6.814 CV     1
 ASSI { 1883}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 58   and name HN  ))
      4.400     2.500     1.600 peak  1883 spectrum    1 weight  0.10000E+01 volume  0.51605E-03 ppm1      3.457 ppm2      7.543 CV     1
 ASSI { 1884}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      2.400     0.700     0.700 peak  1884 spectrum    1 weight  0.10000E+01 volume  0.52476E-02 ppm1      3.454 ppm2      7.439 CV     1
 ASSI { 1885}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      2.400     0.700     0.700 peak  1885 spectrum    1 weight  0.10000E+01 volume  0.42001E-02 ppm1      2.784 ppm2      7.440 CV     1
 ASSI { 1886}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 58   and name HN  ))
      3.600     1.600     1.600 peak  1886 spectrum    1 weight  0.10000E+01 volume  0.53917E-03 ppm1      2.787 ppm2      7.542 CV     1
 ASSI { 1889}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 40   and name HD% )
      3.800     1.800     1.800 peak  1889 spectrum    1 weight  0.10000E+01 volume  0.64746E-03 ppm1      2.452 ppm2      6.969 CV     1
 ASSI { 1890}
   (( segid "    " and resid 38   and name HB  ))
   (  segid "    " and resid 40   and name HE% )
      4.000     2.000     2.000 peak  1890 spectrum    1 weight  0.10000E+01 volume  0.30548E-03 ppm1      2.453 ppm2      6.753 CV     1
 ASSI { 1893}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
      2.400     0.700     0.700 peak  1893 spectrum    1 weight  0.10000E+01 volume  0.29955E-02 ppm1      2.785 ppm2      8.118 CV     1
 ASSI { 1894}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HN  ))
      4.000     2.000     2.000 peak  1894 spectrum    1 weight  0.10000E+01 volume  0.38131E-03 ppm1      2.787 ppm2      7.961 CV     1
 ASSI { 1895}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      3.500     1.500     1.500 peak  1895 spectrum    1 weight  0.10000E+01 volume  0.24027E-02 ppm1      3.454 ppm2      8.122 CV     1
 ASSI { 1896}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HN  ))
      4.300     2.400     1.700 peak  1896 spectrum    1 weight  0.10000E+01 volume  0.60842E-03 ppm1      3.453 ppm2      7.962 CV     1
 ASSI { 1897}
   (( segid "    " and resid 63   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak  1897 spectrum    1 weight  0.10000E+01 volume  0.19821E-02 ppm1      2.826 ppm2      8.618 CV     1
 ASSI { 1898}
   (( segid "    " and resid 63   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak  1898 spectrum    1 weight  0.10000E+01 volume  0.16545E-02 ppm1      2.742 ppm2      8.617 CV     1
 ASSI { 1904}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak  1904 spectrum    1 weight  0.10000E+01 volume  0.27832E-02 ppm1      2.823 ppm2      8.823 CV     1
 ASSI { 1905}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HN  ))
      3.200     1.300     1.300 peak  1905 spectrum    1 weight  0.10000E+01 volume  0.23022E-02 ppm1      2.746 ppm2      8.823 CV     1
 ASSI { 1906}
   (( segid "    " and resid 62   and name HB1 ))
   (( segid "    " and resid 63   and name HN  ))
      3.800     1.800     1.800 peak  1906 spectrum    1 weight  0.10000E+01 volume  0.93127E-03 ppm1      2.826 ppm2      8.618 CV     1
 ASSI { 1911}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      2.500     0.800     0.800 peak  1911 spectrum    1 weight  0.10000E+01 volume  0.41229E-02 ppm1      3.290 ppm2      7.303 CV     1
 ASSI { 1913}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      2.500     0.800     0.800 peak  1913 spectrum    1 weight  0.10000E+01 volume  0.33169E-02 ppm1      3.015 ppm2      7.303 CV     1
 ASSI { 1915}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 35   and name HD% )
      2.800     1.000     1.000 peak  1915 spectrum    1 weight  0.10000E+01 volume  0.17774E-02 ppm1      3.007 ppm2      7.110 CV     1
 ASSI { 1916}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 40   and name HD% )
      2.300     0.700     0.700 peak  1916 spectrum    1 weight  0.10000E+01 volume  0.29248E-02 ppm1      3.006 ppm2      6.968 CV     1
 ASSI { 1917}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 35   and name HD% )
      3.000     1.100     1.100 peak  1917 spectrum    1 weight  0.10000E+01 volume  0.12042E-02 ppm1      2.783 ppm2      7.113 CV     1
 ASSI { 1919}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 40   and name HN  ))
      2.500     2.500     3.500 peak  1919 spectrum    1 weight  0.10000E+01 volume  0.21068E-02 ppm1      2.786 ppm2      8.059 CV     1
 ASSI { 1924}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      4.800     2.900     1.200 peak  1924 spectrum    1 weight  0.10000E+01 volume  0.31221E-03 ppm1      3.296 ppm2      7.508 CV     1
 ASSI { 1925}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HN  ))
      4.300     2.300     1.700 peak  1925 spectrum    1 weight  0.10000E+01 volume  0.46113E-03 ppm1      3.011 ppm2      7.507 CV     1
 ASSI { 1929}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      4.500     2.600     1.500 peak  1929 spectrum    1 weight  0.10000E+01 volume  0.36834E-03 ppm1      3.291 ppm2      4.851 CV     1
 ASSI { 1932}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      5.500     3.800     0.500 peak  1932 spectrum    1 weight  0.10000E+01 volume  0.30720E-03 ppm1      3.018 ppm2      4.846 CV     1
 ASSI { 1937}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 35   and name HB1 ))
      2.400     0.700     0.700 peak  1937 spectrum    1 weight  0.10000E+01 volume  0.16386E-02 ppm1      3.006 ppm2      3.580 CV     1
 ASSI { 1942}
   (( segid "    " and resid 29   and name HB1 ))
   (( segid "    " and resid 29   and name HA  ))
      3.100     1.200     1.200 peak  1942 spectrum    1 weight  0.10000E+01 volume  0.21215E-02 ppm1      2.886 ppm2      4.843 CV     1
 ASSI { 1943}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 62   and name HA  ))
      2.800     1.000     1.000 peak  1943 spectrum    1 weight  0.10000E+01 volume  0.35610E-02 ppm1      2.745 ppm2      4.449 CV     1
 ASSI { 1949}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 59   and name HA  ))
      4.800     2.900     1.200 peak  1949 spectrum    1 weight  0.10000E+01 volume  0.52316E-03 ppm1      1.782 ppm2      4.836 CV     1
 ASSI { 1950}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HA  ))
      2.800     1.000     1.000 peak  1950 spectrum    1 weight  0.10000E+01 volume  0.20858E-02 ppm1      1.785 ppm2      4.653 CV     1
 ASSI { 1957}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HG  ))
      4.500     2.500     1.500 peak  1957 spectrum    1 weight  0.10000E+01 volume  0.60594E-03 ppm1      3.290 ppm2      1.771 CV     1
 OR { 1957}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 1958}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
      3.700     1.700     1.700 peak  1958 spectrum    1 weight  0.10000E+01 volume  0.58508E-03 ppm1      3.013 ppm2      1.796 CV     1
 OR { 1958}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 1961}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 18   and name HB% )
      3.800     1.800     1.800 peak  1961 spectrum    1 weight  0.10000E+01 volume  0.61890E-03 ppm1      2.834 ppm2      1.535 CV     1
 OR { 1961}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 1962}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
      5.400     3.700     0.600 peak  1962 spectrum    1 weight  0.10000E+01 volume  0.21974E-03 ppm1      3.289 ppm2      1.416 CV     1
 ASSI { 1963}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 26   and name HB2 ))
      3.400     3.400     2.600 peak  1963 spectrum    1 weight  0.10000E+01 volume  0.34647E-03 ppm1      3.291 ppm2      1.236 CV     1
 ASSI { 1969}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HB2 ))
      3.300     3.300     2.700 peak  1969 spectrum    1 weight  0.10000E+01 volume  0.39631E-03 ppm1      3.016 ppm2      1.241 CV     1
 ASSI { 1975}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      6.000     4.800     0.000 peak  1975 spectrum    1 weight  0.10000E+01 volume  0.23395E-03 ppm1      2.777 ppm2      0.354 CV     1
 ASSI { 1977}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 45   and name HG  ))
      4.700     2.700     1.300 peak  1977 spectrum    1 weight  0.10000E+01 volume  0.34539E-03 ppm1      2.783 ppm2      1.350 CV     1
 ASSI { 1980}
   (( segid "    " and resid 60   and name HB  ))
   (  segid "    " and resid 60   and name HD1%)
      3.100     1.200     1.200 peak  1980 spectrum    1 weight  0.10000E+01 volume  0.28527E-02 ppm1      1.784 ppm2      0.839 CV     1
 ASSI { 1981}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 60   and name HG11))
      2.600     0.900     0.900 peak  1981 spectrum    1 weight  0.10000E+01 volume  0.29449E-02 ppm1      1.786 ppm2      1.488 CV     1
 ASSI { 1993}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 28   and name HA2 ))
      4.500     2.500     1.500 peak  1993 spectrum    1 weight  0.10000E+01 volume  0.30269E-03 ppm1      2.675 ppm2      3.868 CV     1
 ASSI { 1994}
   (( segid "    " and resid 29   and name HB2 ))
   (( segid "    " and resid 29   and name HA  ))
      2.800     1.000     1.000 peak  1994 spectrum    1 weight  0.10000E+01 volume  0.26396E-02 ppm1      2.666 ppm2      4.844 CV     1
 ASSI { 1995}
   (( segid "    " and resid 22   and name HB1 ))
   (  segid "    " and resid 24   and name HG2%)
      4.100     2.100     1.900 peak  1995 spectrum    1 weight  0.10000E+01 volume  0.39530E-03 ppm1      2.840 ppm2      1.261 CV     1
 OR { 1995}
   (( segid "    " and resid 22   and name HB2 ))
   (  segid "    " and resid 24   and name HG2%)
 ASSI { 1996}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      2.600     0.900     0.900 peak  1996 spectrum    1 weight  0.10000E+01 volume  0.37791E-02 ppm1      2.714 ppm2      8.695 CV     1
 ASSI { 1998}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      3.600     1.700     1.700 peak  1998 spectrum    1 weight  0.10000E+01 volume  0.17036E-02 ppm1      2.717 ppm2      8.003 CV     1
 ASSI { 1999}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.200     1.200 peak  1999 spectrum    1 weight  0.10000E+01 volume  0.14096E-02 ppm1      2.771 ppm2      4.243 CV     1
 ASSI { 2000}
   (( segid "    " and resid 76   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
      3.100     1.200     1.200 peak  2000 spectrum    1 weight  0.10000E+01 volume  0.21653E-02 ppm1      2.715 ppm2      4.241 CV     1
 ASSI { 2001}
   (( segid "    " and resid 76   and name HB1 ))
   (( segid "    " and resid 76   and name HA  ))
      3.000     1.200     1.200 peak  2001 spectrum    1 weight  0.10000E+01 volume  0.31034E-02 ppm1      2.769 ppm2      4.487 CV     1
 ASSI { 2004}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HN  ))
      3.200     1.200     1.200 peak  2004 spectrum    1 weight  0.10000E+01 volume  0.39836E-02 ppm1      1.628 ppm2      7.507 CV     1
 ASSI { 2006}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak  2006 spectrum    1 weight  0.10000E+01 volume  0.33569E-02 ppm1      1.568 ppm2      8.068 CV     1
 ASSI { 2008}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      2.400     0.700     0.700 peak  2008 spectrum    1 weight  0.10000E+01 volume  0.38835E-02 ppm1      1.832 ppm2      7.787 CV     1
 ASSI { 2009}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 44   and name HN  ))
      3.400     1.500     1.500 peak  2009 spectrum    1 weight  0.10000E+01 volume  0.22666E-02 ppm1      1.872 ppm2      8.155 CV     1
 ASSI { 2011}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HN  ))
      2.400     0.700     0.700 peak  2011 spectrum    1 weight  0.10000E+01 volume  0.27127E-02 ppm1      1.693 ppm2      7.712 CV     1
 ASSI { 2012}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 35   and name HZ  ))
      2.900     1.000     1.000 peak  2012 spectrum    1 weight  0.10000E+01 volume  0.82773E-03 ppm1      1.695 ppm2      6.897 CV     1
 OR { 2012}
   (( segid "    " and resid 74   and name HB2 ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 2013}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HN  ))
      2.300     0.700     0.700 peak  2013 spectrum    1 weight  0.10000E+01 volume  0.39196E-02 ppm1      1.500 ppm2      8.461 CV     1
 ASSI { 2014}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
      2.700     0.900     0.900 peak  2014 spectrum    1 weight  0.10000E+01 volume  0.99241E-03 ppm1      1.628 ppm2      8.230 CV     1
 ASSI { 2015}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HN  ))
      3.900     1.900     1.900 peak  2015 spectrum    1 weight  0.10000E+01 volume  0.12138E-02 ppm1      1.503 ppm2      8.227 CV     1
 ASSI { 2017}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
      2.700     0.900     0.900 peak  2017 spectrum    1 weight  0.10000E+01 volume  0.35545E-02 ppm1      1.631 ppm2      8.461 CV     1
 ASSI { 2019}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
      2.400     0.700     0.700 peak  2019 spectrum    1 weight  0.10000E+01 volume  0.39686E-02 ppm1      2.336 ppm2      8.064 CV     1
 ASSI { 2020}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      2.700     0.900     0.900 peak  2020 spectrum    1 weight  0.10000E+01 volume  0.28362E-02 ppm1      2.420 ppm2      7.711 CV     1
 ASSI { 2023}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak  2023 spectrum    1 weight  0.10000E+01 volume  0.54428E-02 ppm1      2.707 ppm2      8.246 CV     1
 OR { 2023}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
 ASSI { 2025}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HN  ))
      2.900     1.000     1.000 peak  2025 spectrum    1 weight  0.10000E+01 volume  0.24419E-02 ppm1      2.994 ppm2      7.557 CV     1
 ASSI { 2029}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak  2029 spectrum    1 weight  0.10000E+01 volume  0.23367E-02 ppm1      1.443 ppm2      8.414 CV     1
 ASSI { 2035}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
      3.200     1.300     1.300 peak  2035 spectrum    1 weight  0.10000E+01 volume  0.88108E-03 ppm1      2.335 ppm2      7.335 CV     1
 ASSI { 2039}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HA  ))
      3.000     1.100     1.100 peak  2039 spectrum    1 weight  0.10000E+01 volume  0.25193E-02 ppm1      2.359 ppm2      5.045 CV     1
 ASSI { 2040}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.900     1.900     1.900 peak  2040 spectrum    1 weight  0.10000E+01 volume  0.53075E-03 ppm1      2.358 ppm2      7.205 CV     1
 ASSI { 2043}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
      2.900     1.100     1.100 peak  2043 spectrum    1 weight  0.10000E+01 volume  0.24414E-02 ppm1      1.450 ppm2      4.359 CV     1
 ASSI { 2045}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      2.400     0.700     0.700 peak  2045 spectrum    1 weight  0.10000E+01 volume  0.36544E-02 ppm1      1.568 ppm2      4.209 CV     1
 ASSI { 2046}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 45   and name HA  ))
      2.600     0.900     0.900 peak  2046 spectrum    1 weight  0.10000E+01 volume  0.18780E-02 ppm1      1.496 ppm2      3.890 CV     1
 ASSI { 2049}
   (( segid "    " and resid 43   and name HB1 ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak  2049 spectrum    1 weight  0.10000E+01 volume  0.38142E-02 ppm1      1.872 ppm2      4.268 CV     1
 ASSI { 2050}
   (( segid "    " and resid 43   and name HB2 ))
   (( segid "    " and resid 43   and name HA  ))
      2.800     1.000     1.000 peak  2050 spectrum    1 weight  0.10000E+01 volume  0.44763E-02 ppm1      1.833 ppm2      4.268 CV     1
 ASSI { 2052}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      4.200     2.200     1.800 peak  2052 spectrum    1 weight  0.10000E+01 volume  0.98534E-03 ppm1      1.984 ppm2      3.521 CV     1
 ASSI { 2054}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak  2054 spectrum    1 weight  0.10000E+01 volume  0.21525E-02 ppm1      2.331 ppm2      4.209 CV     1
 ASSI { 2056}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
      2.900     1.100     1.100 peak  2056 spectrum    1 weight  0.10000E+01 volume  0.19727E-02 ppm1      2.422 ppm2      4.301 CV     1
 ASSI { 2059}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
      2.900     1.000     1.000 peak  2059 spectrum    1 weight  0.10000E+01 volume  0.12543E-02 ppm1      1.628 ppm2      3.310 CV     1
 ASSI { 2061}
   (( segid "    " and resid 32   and name HB2 ))
   (( segid "    " and resid 32   and name HB1 ))
      1.700     0.400     0.500 peak  2061 spectrum    1 weight  0.10000E+01 volume  0.20728E-01 ppm1      2.357 ppm2      3.031 CV     1
 ASSI { 2064}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HG  ))
      2.500     0.800     0.800 peak  2064 spectrum    1 weight  0.10000E+01 volume  0.24178E-02 ppm1      2.332 ppm2      1.887 CV     1
 ASSI { 2067}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
      1.700     0.300     0.500 peak  2067 spectrum    1 weight  0.10000E+01 volume  0.10671E-01 ppm1      1.567 ppm2      2.332 CV     1
 ASSI { 2068}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      1.700     0.300     0.500 peak  2068 spectrum    1 weight  0.10000E+01 volume  0.11228E-01 ppm1      1.442 ppm2      1.983 CV     1
 ASSI { 2069}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HG  ))
      3.000     1.100     1.100 peak  2069 spectrum    1 weight  0.10000E+01 volume  0.23077E-02 ppm1      1.563 ppm2      1.889 CV     1
 ASSI { 2073}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
      2.600     0.900     0.900 peak  2073 spectrum    1 weight  0.10000E+01 volume  0.28907E-02 ppm1      1.984 ppm2      0.891 CV     1
 ASSI { 2076}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
      4.800     2.800     1.200 peak  2076 spectrum    1 weight  0.10000E+01 volume  0.49018E-03 ppm1      2.332 ppm2      0.611 CV     1
 ASSI { 2083}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      3.500     1.600     1.600 peak  2083 spectrum    1 weight  0.10000E+01 volume  0.14969E-02 ppm1      1.626 ppm2      0.455 CV     1
 ASSI { 2085}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 14   and name HD2%)
      2.900     1.100     1.100 peak  2085 spectrum    1 weight  0.10000E+01 volume  0.29253E-02 ppm1      1.443 ppm2      0.886 CV     1
 ASSI { 2087}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 26   and name HD2%)
      2.800     1.000     1.000 peak  2087 spectrum    1 weight  0.10000E+01 volume  0.28065E-02 ppm1      1.449 ppm2      0.798 CV     1
 ASSI { 2094}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 26   and name HD1%)
      2.900     1.100     1.100 peak  2094 spectrum    1 weight  0.10000E+01 volume  0.18742E-02 ppm1      1.227 ppm2      0.690 CV     1
 ASSI { 2096}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 26   and name HD1%)
      3.500     1.500     1.500 peak  2096 spectrum    1 weight  0.10000E+01 volume  0.18403E-02 ppm1      1.449 ppm2      0.690 CV     1
 ASSI { 2097}
   (( segid "    " and resid 45   and name HB2 ))
   (  segid "    " and resid 45   and name HD2%)
      3.800     1.800     1.800 peak  2097 spectrum    1 weight  0.10000E+01 volume  0.12053E-02 ppm1      1.504 ppm2      0.351 CV     1
 ASSI { 2100}
   (( segid "    " and resid 31   and name HB1 ))
   (  segid "    " and resid 31   and name HD2%)
      2.700     0.900     0.900 peak  2100 spectrum    1 weight  0.10000E+01 volume  0.26366E-02 ppm1      1.628 ppm2      0.782 CV     1
 ASSI { 2101}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
      1.700     0.400     0.500 peak  2101 spectrum    1 weight  0.10000E+01 volume  0.94175E-02 ppm1      1.627 ppm2      1.026 CV     1
 ASSI { 2102}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 10   and name HD2%)
      2.500     0.800     0.800 peak  2102 spectrum    1 weight  0.10000E+01 volume  0.42087E-02 ppm1      1.564 ppm2      1.119 CV     1
 ASSI { 2103}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 45   and name HG  ))
      2.800     1.000     1.000 peak  2103 spectrum    1 weight  0.10000E+01 volume  0.31324E-02 ppm1      1.628 ppm2      1.358 CV     1
 ASSI { 2111}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 42   and name HN  ))
      2.400     0.700     0.700 peak  2111 spectrum    1 weight  0.10000E+01 volume  0.50907E-02 ppm1      3.293 ppm2      8.922 CV     1
 ASSI { 2113}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 42   and name HN  ))
      2.900     1.000     1.000 peak  2113 spectrum    1 weight  0.10000E+01 volume  0.35247E-02 ppm1      2.854 ppm2      8.922 CV     1
 ASSI { 2114}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      2.700     0.900     0.900 peak  2114 spectrum    1 weight  0.10000E+01 volume  0.16074E-02 ppm1      2.697 ppm2      9.029 CV     1
 ASSI { 2118}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 26   and name HN  ))
      4.500     2.500     1.500 peak  2118 spectrum    1 weight  0.10000E+01 volume  0.74547E-03 ppm1      2.756 ppm2      8.469 CV     1
 ASSI { 2120}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      4.100     2.100     1.900 peak  2120 spectrum    1 weight  0.10000E+01 volume  0.64885E-03 ppm1      2.995 ppm2      8.456 CV     1
 ASSI { 2121}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak  2121 spectrum    1 weight  0.10000E+01 volume  0.17646E-02 ppm1      2.421 ppm2      8.728 CV     1
 ASSI { 2122}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 41   and name HN  ))
      2.900     1.000     1.000 peak  2122 spectrum    1 weight  0.10000E+01 volume  0.22238E-02 ppm1      2.854 ppm2      7.974 CV     1
 ASSI { 2123}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      4.800     2.900     1.200 peak  2123 spectrum    1 weight  0.10000E+01 volume  0.49191E-03 ppm1      2.849 ppm2      7.787 CV     1
 ASSI { 2128}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 41   and name HN  ))
      3.300     1.400     1.400 peak  2128 spectrum    1 weight  0.10000E+01 volume  0.15629E-02 ppm1      3.293 ppm2      7.974 CV     1
 ASSI { 2131}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      4.100     2.100     1.900 peak  2131 spectrum    1 weight  0.10000E+01 volume  0.35038E-03 ppm1      3.029 ppm2      7.208 CV     1
 ASSI { 2135}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 56   and name HE% )
      4.900     3.000     1.100 peak  2135 spectrum    1 weight  0.10000E+01 volume  0.39253E-03 ppm1      2.698 ppm2      6.813 CV     1
 ASSI { 2139}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 37   and name HA  ))
      3.300     1.300     1.300 peak  2139 spectrum    1 weight  0.10000E+01 volume  0.24013E-02 ppm1      3.089 ppm2      4.807 CV     1
 ASSI { 2140}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 37   and name HA  ))
      2.700     0.900     0.900 peak  2140 spectrum    1 weight  0.10000E+01 volume  0.27049E-02 ppm1      2.996 ppm2      4.807 CV     1
 ASSI { 2144}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak  2144 spectrum    1 weight  0.10000E+01 volume  0.71123E-02 ppm1      2.709 ppm2      4.619 CV     1
 OR { 2144}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI { 2147}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 40   and name HA  ))
      5.100     3.300     0.900 peak  2147 spectrum    1 weight  0.10000E+01 volume  0.29354E-03 ppm1      2.850 ppm2      4.586 CV     1
 ASSI { 2157}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HB1 ))
      5.600     4.000     0.400 peak  2157 spectrum    1 weight  0.10000E+01 volume  0.21363E-03 ppm1      3.078 ppm2      2.171 CV     1
 ASSI { 2158}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HB1 ))
      5.100     3.200     0.900 peak  2158 spectrum    1 weight  0.10000E+01 volume  0.38479E-03 ppm1      2.998 ppm2      2.173 CV     1
 ASSI { 2164}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HB1 ))
      3.000     1.100     1.100 peak  2164 spectrum    1 weight  0.10000E+01 volume  0.20483E-02 ppm1      3.032 ppm2      1.572 CV     1
 OR { 2164}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 2166}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.200     1.200     1.200 peak  2166 spectrum    1 weight  0.10000E+01 volume  0.77723E-03 ppm1      2.992 ppm2      1.850 CV     1
 ASSI { 2167}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 45   and name HB1 ))
      4.200     2.200     1.800 peak  2167 spectrum    1 weight  0.10000E+01 volume  0.94341E-03 ppm1      3.305 ppm2      1.626 CV     1
 ASSI { 2168}
   (( segid "    " and resid 41   and name HB1 ))
   (  segid "    " and resid 43   and name HD1%)
      4.500     2.600     1.500 peak  2168 spectrum    1 weight  0.10000E+01 volume  0.46203E-03 ppm1      3.304 ppm2      1.023 CV     1
 ASSI { 2170}
   (( segid "    " and resid 37   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
      3.400     1.400     1.400 peak  2170 spectrum    1 weight  0.10000E+01 volume  0.58234E-03 ppm1      3.089 ppm2      1.054 CV     1
 ASSI { 2171}
   (( segid "    " and resid 37   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
      4.400     2.500     1.600 peak  2171 spectrum    1 weight  0.10000E+01 volume  0.65928E-03 ppm1      2.992 ppm2      1.058 CV     1
 ASSI { 2172}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 5    and name HD2%)
      2.800     1.000     1.000 peak  2172 spectrum    1 weight  0.10000E+01 volume  0.17067E-02 ppm1      3.033 ppm2      0.630 CV     1
 OR { 2172}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 2173}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
      3.400     1.400     1.400 peak  2173 spectrum    1 weight  0.10000E+01 volume  0.22306E-02 ppm1      2.697 ppm2      0.632 CV     1
 OR { 2173}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 2188}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HN  ))
      3.200     1.300     1.300 peak  2188 spectrum    1 weight  0.10000E+01 volume  0.30063E-02 ppm1      2.212 ppm2      8.413 CV     1
 ASSI { 2190}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HE  ))
      2.700     0.900     0.900 peak  2190 spectrum    1 weight  0.10000E+01 volume  0.30551E-02 ppm1      3.491 ppm2      9.072 CV     1
 ASSI { 2191}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HE  ))
      2.600     0.800     0.800 peak  2191 spectrum    1 weight  0.10000E+01 volume  0.40519E-02 ppm1      3.017 ppm2      9.070 CV     1
 ASSI { 2192}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 78   and name HN  ))
      2.600     0.900     0.900 peak  2192 spectrum    1 weight  0.10000E+01 volume  0.18166E-02 ppm1      1.910 ppm2      8.271 CV     1
 ASSI { 2194}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
      3.000     1.200     1.200 peak  2194 spectrum    1 weight  0.10000E+01 volume  0.96076E-03 ppm1      1.774 ppm2      8.456 CV     1
 ASSI { 2195}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.700     1.700 peak  2195 spectrum    1 weight  0.10000E+01 volume  0.15888E-02 ppm1      1.693 ppm2      8.726 CV     1
 ASSI { 2196}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
      2.400     0.700     0.700 peak  2196 spectrum    1 weight  0.10000E+01 volume  0.42126E-02 ppm1      1.546 ppm2      8.720 CV     1
 ASSI { 2197}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.000     1.100     1.100 peak  2197 spectrum    1 weight  0.10000E+01 volume  0.10640E-02 ppm1      1.579 ppm2      9.029 CV     1
 ASSI { 2198}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 6    and name HN  ))
      4.400     2.400     1.600 peak  2198 spectrum    1 weight  0.10000E+01 volume  0.50438E-03 ppm1      1.352 ppm2      9.028 CV     1
 ASSI { 2201}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      2.700     0.900     0.900 peak  2201 spectrum    1 weight  0.10000E+01 volume  0.16894E-02 ppm1      1.445 ppm2      8.416 CV     1
 ASSI { 2203}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HN  ))
      2.600     0.800     0.800 peak  2203 spectrum    1 weight  0.10000E+01 volume  0.26844E-02 ppm1      1.556 ppm2      8.276 CV     1
 ASSI { 2206}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 83   and name HN  ))
      2.900     1.100     1.100 peak  2206 spectrum    1 weight  0.10000E+01 volume  0.13334E-02 ppm1      1.554 ppm2      7.953 CV     1
 ASSI { 2208}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.400     1.400     1.400 peak  2208 spectrum    1 weight  0.10000E+01 volume  0.22402E-02 ppm1      1.774 ppm2      7.208 CV     1
 ASSI { 2211}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HN  ))
      2.400     0.700     0.700 peak  2211 spectrum    1 weight  0.10000E+01 volume  0.38520E-02 ppm1      1.909 ppm2      8.002 CV     1
 ASSI { 2214}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 56   and name HD% )
      3.200     1.300     1.300 peak  2214 spectrum    1 weight  0.10000E+01 volume  0.48425E-03 ppm1      2.214 ppm2      7.435 CV     1
 ASSI { 2215}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
      3.900     1.900     1.900 peak  2215 spectrum    1 weight  0.10000E+01 volume  0.72745E-03 ppm1      2.422 ppm2      6.898 CV     1
 OR { 2215}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 35   and name HE% )
 ASSI { 2216}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH11))
      2.800     1.000     1.000 peak  2216 spectrum    1 weight  0.10000E+01 volume  0.26431E-02 ppm1      3.488 ppm2      6.891 CV     1
 OR { 2216}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 2216}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 2217}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH11))
      2.900     1.100     1.100 peak  2217 spectrum    1 weight  0.10000E+01 volume  0.22292E-02 ppm1      3.018 ppm2      6.894 CV     1
 OR { 2217}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 2217}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HH22))
 ASSI { 2218}
   (( segid "    " and resid 82   and name HB1 ))
   (( segid "    " and resid 79   and name HA  ))
      3.700     1.700     1.700 peak  2218 spectrum    1 weight  0.10000E+01 volume  0.26136E-02 ppm1      2.007 ppm2      4.905 CV     1
 ASSI { 2219}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 79   and name HA  ))
      2.900     1.000     1.000 peak  2219 spectrum    1 weight  0.10000E+01 volume  0.15444E-02 ppm1      1.554 ppm2      4.904 CV     1
 ASSI { 2220}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak  2220 spectrum    1 weight  0.10000E+01 volume  0.24619E-02 ppm1      1.581 ppm2      4.524 CV     1
 ASSI { 2222}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak  2222 spectrum    1 weight  0.10000E+01 volume  0.23655E-02 ppm1      1.477 ppm2      4.356 CV     1
 ASSI { 2226}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 49   and name HA  ))
      3.000     1.100     1.100 peak  2226 spectrum    1 weight  0.10000E+01 volume  0.99076E-03 ppm1      1.443 ppm2      3.950 CV     1
 ASSI { 2227}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HA  ))
      2.500     0.800     0.800 peak  2227 spectrum    1 weight  0.10000E+01 volume  0.27433E-02 ppm1      1.549 ppm2      3.885 CV     1
 ASSI { 2228}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 72   and name HA  ))
      3.300     1.400     1.400 peak  2228 spectrum    1 weight  0.10000E+01 volume  0.12187E-02 ppm1      1.547 ppm2      3.605 CV     1
 ASSI { 2229}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HA  ))
      2.700     0.900     0.900 peak  2229 spectrum    1 weight  0.10000E+01 volume  0.20226E-02 ppm1      1.772 ppm2      4.314 CV     1
 ASSI { 2230}
   (( segid "    " and resid 74   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
      2.500     0.800     0.800 peak  2230 spectrum    1 weight  0.10000E+01 volume  0.22197E-02 ppm1      1.694 ppm2      4.304 CV     1
 ASSI { 2231}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 9    and name HB1 ))
      3.400     1.400     1.400 peak  2231 spectrum    1 weight  0.10000E+01 volume  0.76633E-03 ppm1      1.576 ppm2      3.042 CV     1
 ASSI { 2232}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 9    and name HB2 ))
      2.800     1.000     1.000 peak  2232 spectrum    1 weight  0.10000E+01 volume  0.47808E-03 ppm1      1.585 ppm2      2.701 CV     1
 ASSI { 2234}
   (( segid "    " and resid 82   and name HB2 ))
   (( segid "    " and resid 82   and name HB1 ))
      1.700     0.300     0.500 peak  2234 spectrum    1 weight  0.10000E+01 volume  0.14116E-01 ppm1      1.555 ppm2      2.007 CV     1
 ASSI { 2235}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HB1 ))
      1.800     0.400     0.400 peak  2235 spectrum    1 weight  0.10000E+01 volume  0.81327E-02 ppm1      1.546 ppm2      2.190 CV     1
 ASSI { 2236}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HB1 ))
      1.600     0.300     0.600 peak  2236 spectrum    1 weight  0.10000E+01 volume  0.10494E-01 ppm1      1.445 ppm2      2.212 CV     1
 ASSI { 2238}
   (( segid "    " and resid 52   and name HB2 ))
   (( segid "    " and resid 52   and name HG  ))
      2.600     0.900     0.900 peak  2238 spectrum    1 weight  0.10000E+01 volume  0.19572E-02 ppm1      1.444 ppm2      2.038 CV     1
 ASSI { 2239}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
      3.900     1.900     1.900 peak  2239 spectrum    1 weight  0.10000E+01 volume  0.18077E-02 ppm1      2.212 ppm2      3.949 CV     1
 ASSI { 2242}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 52   and name HA  ))
      2.500     0.800     0.800 peak  2242 spectrum    1 weight  0.10000E+01 volume  0.23630E-02 ppm1      2.211 ppm2      4.306 CV     1
 ASSI { 2245}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HA  ))
      4.400     2.400     1.600 peak  2245 spectrum    1 weight  0.10000E+01 volume  0.94733E-03 ppm1      3.487 ppm2      3.608 CV     1
 ASSI { 2247}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 33   and name HB2 ))
      1.700     0.400     0.500 peak  2247 spectrum    1 weight  0.10000E+01 volume  0.11281E-01 ppm1      1.774 ppm2      1.407 CV     1
 ASSI { 2248}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HB2 ))
      1.500     0.300     0.700 peak  2248 spectrum    1 weight  0.10000E+01 volume  0.13189E-01 ppm1      1.579 ppm2      1.356 CV     1
 ASSI { 2252}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HB1 ))
      1.700     0.400     0.500 peak  2252 spectrum    1 weight  0.10000E+01 volume  0.13524E-01 ppm1      1.408 ppm2      1.774 CV     1
 OR { 2252}
   (( segid "    " and resid 33   and name HB2 ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 2253}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
      1.600     0.300     0.600 peak  2253 spectrum    1 weight  0.10000E+01 volume  0.12312E-01 ppm1      1.355 ppm2      1.571 CV     1
 OR { 2253}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 2264}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 10   and name HD2%)
      3.900     1.900     1.900 peak  2264 spectrum    1 weight  0.10000E+01 volume  0.18884E-02 ppm1      2.189 ppm2      1.123 CV     1
 ASSI { 2268}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HG  ))
      2.500     0.800     0.800 peak  2268 spectrum    1 weight  0.10000E+01 volume  0.32805E-02 ppm1      2.191 ppm2      1.684 CV     1
 ASSI { 2270}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.100     1.200     1.200 peak  2270 spectrum    1 weight  0.10000E+01 volume  0.12055E-02 ppm1      3.015 ppm2      1.861 CV     1
 ASSI { 2271}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.700     0.900     0.900 peak  2271 spectrum    1 weight  0.10000E+01 volume  0.39502E-02 ppm1      3.018 ppm2      1.635 CV     1
 OR { 2271}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 2272}
   (( segid "    " and resid 72   and name HD2 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.700     0.900     0.900 peak  2272 spectrum    1 weight  0.10000E+01 volume  0.22727E-02 ppm1      3.018 ppm2      1.517 CV     1
 ASSI { 2273}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HB1 ))
      3.500     1.500     1.500 peak  2273 spectrum    1 weight  0.10000E+01 volume  0.12068E-02 ppm1      3.492 ppm2      1.861 CV     1
 ASSI { 2274}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG1 ))
      2.600     0.900     0.900 peak  2274 spectrum    1 weight  0.10000E+01 volume  0.30511E-02 ppm1      3.492 ppm2      1.643 CV     1
 ASSI { 2275}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 72   and name HG2 ))
      2.700     0.900     0.900 peak  2275 spectrum    1 weight  0.10000E+01 volume  0.27259E-02 ppm1      3.490 ppm2      1.512 CV     1
 ASSI { 2276}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
      2.400     0.700     0.700 peak  2276 spectrum    1 weight  0.10000E+01 volume  0.89047E-02 ppm1      1.558 ppm2      0.981 CV     1
 OR { 2276}
   (( segid "    " and resid 82   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 2283}
   (( segid "    " and resid 72   and name HD1 ))
   (  segid "    " and resid 31   and name HD2%)
      4.700     2.800     1.300 peak  2283 spectrum    1 weight  0.10000E+01 volume  0.32591E-03 ppm1      3.492 ppm2      0.770 CV     1
 ASSI { 2286}
   (( segid "    " and resid 72   and name HD1 ))
   (( segid "    " and resid 31   and name HB2 ))
      5.100     3.200     0.900 peak  2286 spectrum    1 weight  0.10000E+01 volume  0.29071E-03 ppm1      3.495 ppm2      1.039 CV     1
 ASSI { 2287}
   (( segid "    " and resid 72   and name HD2 ))
   (  segid "    " and resid 31   and name HD2%)
      5.100     3.200     0.900 peak  2287 spectrum    1 weight  0.10000E+01 volume  0.21880E-03 ppm1      3.020 ppm2      0.772 CV     1
 ASSI { 2290}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 31   and name HD1%)
      3.400     3.400     2.600 peak  2290 spectrum    1 weight  0.10000E+01 volume  0.34621E-03 ppm1      2.182 ppm2      0.458 CV     1
 ASSI { 2295}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
      3.700     1.700     1.700 peak  2295 spectrum    1 weight  0.10000E+01 volume  0.10824E-02 ppm1      1.773 ppm2      0.872 CV     1
 ASSI { 2308}
   (( segid "    " and resid 52   and name HB2 ))
   (  segid "    " and resid 56   and name HD% )
      4.800     2.800     1.200 peak  2308 spectrum    1 weight  0.10000E+01 volume  0.59504E-03 ppm1      1.442 ppm2      7.441 CV     1
 ASSI { 2311}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 74   and name HN  ))
      4.500     2.500     1.500 peak  2311 spectrum    1 weight  0.10000E+01 volume  0.46657E-03 ppm1      2.192 ppm2      7.704 CV     1
 ASSI { 2320}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 69   and name HN  ))
      3.500     1.500     1.500 peak  2320 spectrum    1 weight  0.10000E+01 volume  0.31199E-02 ppm1      3.007 ppm2      9.098 CV     1
 ASSI { 2321}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 69   and name HN  ))
      2.600     0.900     0.900 peak  2321 spectrum    1 weight  0.10000E+01 volume  0.25632E-02 ppm1      2.877 ppm2      9.098 CV     1
 ASSI { 2327}
   (( segid "    " and resid 55   and name HD1 ))
   (  segid "    " and resid 56   and name HE% )
      3.200     1.300     1.300 peak  2327 spectrum    1 weight  0.10000E+01 volume  0.11040E-02 ppm1      3.091 ppm2      6.809 CV     1
 ASSI { 2328}
   (( segid "    " and resid 55   and name HD2 ))
   (  segid "    " and resid 56   and name HE% )
      3.300     1.400     1.400 peak  2328 spectrum    1 weight  0.10000E+01 volume  0.10002E-02 ppm1      3.012 ppm2      6.810 CV     1
 ASSI { 2329}
   (( segid "    " and resid 69   and name HB1 ))
   (( segid "    " and resid 70   and name HN  ))
      4.000     2.000     2.000 peak  2329 spectrum    1 weight  0.10000E+01 volume  0.11161E-02 ppm1      3.007 ppm2      7.473 CV     1
 ASSI { 2331}
   (( segid "    " and resid 55   and name HD1 ))
   (  segid "    " and resid 56   and name HD% )
      4.200     2.300     1.800 peak  2331 spectrum    1 weight  0.10000E+01 volume  0.32330E-03 ppm1      3.092 ppm2      7.438 CV     1
 ASSI { 2333}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HE  ))
      3.900     1.900     1.900 peak  2333 spectrum    1 weight  0.10000E+01 volume  0.35542E-03 ppm1      3.015 ppm2      7.184 CV     1
 ASSI { 2339}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HE  ))
      3.200     1.300     1.300 peak  2339 spectrum    1 weight  0.10000E+01 volume  0.11279E-02 ppm1      3.301 ppm2      7.541 CV     1
 ASSI { 2340}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HE  ))
      3.000     1.200     1.200 peak  2340 spectrum    1 weight  0.10000E+01 volume  0.13456E-02 ppm1      3.440 ppm2      7.554 CV     1
 ASSI { 2341}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HE  ))
      3.000     1.100     1.100 peak  2341 spectrum    1 weight  0.10000E+01 volume  0.17865E-02 ppm1      3.444 ppm2      7.990 CV     1
 ASSI { 2350}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HE  ))
      3.000     1.100     1.100 peak  2350 spectrum    1 weight  0.10000E+01 volume  0.17951E-02 ppm1      3.266 ppm2      7.396 CV     1
 OR { 2350}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HE  ))
 ASSI { 2358}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HA  ))
      5.500     3.800     0.500 peak  2358 spectrum    1 weight  0.10000E+01 volume  0.25718E-03 ppm1      3.446 ppm2      4.734 CV     1
 ASSI { 2359}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HA  ))
      5.700     4.000     0.300 peak  2359 spectrum    1 weight  0.10000E+01 volume  0.19572E-03 ppm1      3.342 ppm2      4.734 CV     1
 ASSI { 2360}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 67   and name HA  ))
      4.400     2.400     1.600 peak  2360 spectrum    1 weight  0.10000E+01 volume  0.75022E-03 ppm1      3.268 ppm2      4.618 CV     1
 OR { 2360}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 67   and name HA  ))
 ASSI { 2363}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 9    and name HA  ))
      3.800     1.800     1.800 peak  2363 spectrum    1 weight  0.10000E+01 volume  0.43397E-03 ppm1      3.368 ppm2      4.539 CV     1
 ASSI { 2365}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 13   and name HA  ))
      3.300     1.300     1.300 peak  2365 spectrum    1 weight  0.10000E+01 volume  0.60976E-03 ppm1      3.439 ppm2      4.399 CV     1
 ASSI { 2369}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HA  ))
      4.300     2.300     1.700 peak  2369 spectrum    1 weight  0.10000E+01 volume  0.66021E-03 ppm1      3.295 ppm2      4.233 CV     1
 ASSI { 2375}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 68   and name HA  ))
      5.000     3.100     1.000 peak  2375 spectrum    1 weight  0.10000E+01 volume  0.57521E-03 ppm1      2.880 ppm2      4.437 CV     1
 ASSI { 2377}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
      4.700     2.800     1.300 peak  2377 spectrum    1 weight  0.10000E+01 volume  0.51040E-03 ppm1      3.307 ppm2      4.034 CV     1
 ASSI { 2380}
   (( segid "    " and resid 67   and name HD2 ))
   (( segid "    " and resid 64   and name HA  ))
      3.900     1.900     1.900 peak  2380 spectrum    1 weight  0.10000E+01 volume  0.67679E-03 ppm1      3.277 ppm2      3.829 CV     1
 OR { 2380}
   (( segid "    " and resid 67   and name HD1 ))
   (( segid "    " and resid 64   and name HA  ))
 ASSI { 2385}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB1 ))
      3.300     1.400     1.400 peak  2385 spectrum    1 weight  0.10000E+01 volume  0.13881E-02 ppm1      3.092 ppm2      1.897 CV     1
 ASSI { 2387}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.500     1.500     1.500 peak  2387 spectrum    1 weight  0.10000E+01 volume  0.11584E-02 ppm1      3.093 ppm2      1.617 CV     1
 ASSI { 2388}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HB2 ))
      3.000     1.200     1.200 peak  2388 spectrum    1 weight  0.10000E+01 volume  0.13437E-02 ppm1      3.015 ppm2      1.615 CV     1
 ASSI { 2389}
   (( segid "    " and resid 69   and name HB2 ))
   (( segid "    " and resid 34   and name HG2 ))
      4.700     2.700     1.300 peak  2389 spectrum    1 weight  0.10000E+01 volume  0.20529E-03 ppm1      2.872 ppm2      1.618 CV     1
 ASSI { 2397}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG2 ))
      2.500     0.800     0.800 peak  2397 spectrum    1 weight  0.10000E+01 volume  0.31957E-02 ppm1      3.441 ppm2      1.732 CV     1
 ASSI { 2398}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG2 ))
      2.800     1.000     1.000 peak  2398 spectrum    1 weight  0.10000E+01 volume  0.33006E-02 ppm1      3.444 ppm2      1.627 CV     1
 ASSI { 2406}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB1 ))
      2.700     0.900     0.900 peak  2406 spectrum    1 weight  0.10000E+01 volume  0.24372E-02 ppm1      3.368 ppm2      2.021 CV     1
 OR { 2406}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 2410}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.800     1.000     1.000 peak  2410 spectrum    1 weight  0.10000E+01 volume  0.20942E-02 ppm1      3.092 ppm2      1.361 CV     1
 ASSI { 2411}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG1 ))
      2.900     1.100     1.100 peak  2411 spectrum    1 weight  0.10000E+01 volume  0.21592E-02 ppm1      3.012 ppm2      1.363 CV     1
 ASSI { 2414}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HG2 ))
      2.600     0.900     0.900 peak  2414 spectrum    1 weight  0.10000E+01 volume  0.30798E-02 ppm1      3.012 ppm2      0.986 CV     1
 ASSI { 2418}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.500     0.800     0.800 peak  2418 spectrum    1 weight  0.10000E+01 volume  0.37379E-02 ppm1      3.191 ppm2      1.401 CV     1
 ASSI { 2419}
   (( segid "    " and resid 11   and name HD2 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.800     1.000     1.000 peak  2419 spectrum    1 weight  0.10000E+01 volume  0.30675E-02 ppm1      3.195 ppm2      1.161 CV     1
 ASSI { 2421}
   (( segid "    " and resid 34   and name HD2 ))
   (  segid "    " and resid 70   and name HG2%)
      4.400     2.400     1.600 peak  2421 spectrum    1 weight  0.10000E+01 volume  0.45219E-03 ppm1      3.352 ppm2      1.072 CV     1
 ASSI { 2426}
   (( segid "    " and resid 28   and name HA1 ))
   (( segid "    " and resid 28   and name HN  ))
      2.900     1.000     1.000 peak  2426 spectrum    1 weight  0.10000E+01 volume  0.39864E-02 ppm1      4.254 ppm2      8.557 CV     1
 ASSI { 2429}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 29   and name HN  ))
      2.700     0.900     0.900 peak  2429 spectrum    1 weight  0.10000E+01 volume  0.52993E-02 ppm1      3.870 ppm2      8.666 CV     1
 ASSI { 2430}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 28   and name HN  ))
      2.500     0.800     0.800 peak  2430 spectrum    1 weight  0.10000E+01 volume  0.42125E-02 ppm1      3.870 ppm2      8.558 CV     1
 ASSI { 2431}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 66   and name HN  ))
      2.400     0.700     0.700 peak  2431 spectrum    1 weight  0.10000E+01 volume  0.46116E-02 ppm1      4.112 ppm2      8.035 CV     1
 ASSI { 2433}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 67   and name HN  ))
      3.300     1.300     1.300 peak  2433 spectrum    1 weight  0.10000E+01 volume  0.13001E-02 ppm1      4.113 ppm2      7.495 CV     1
 ASSI { 2434}
   (( segid "    " and resid 66   and name HA1 ))
   (( segid "    " and resid 68   and name HN  ))
      5.200     3.400     0.800 peak  2434 spectrum    1 weight  0.10000E+01 volume  0.26885E-03 ppm1      4.104 ppm2      7.325 CV     1
 ASSI { 2435}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 66   and name HN  ))
      2.800     1.000     1.000 peak  2435 spectrum    1 weight  0.10000E+01 volume  0.56798E-02 ppm1      3.884 ppm2      8.036 CV     1
 ASSI { 2436}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.700     0.900     0.900 peak  2436 spectrum    1 weight  0.10000E+01 volume  0.51063E-02 ppm1      4.072 ppm2      8.132 CV     1
 OR { 2436}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 24   and name HN  ))
 ASSI { 2437}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
      2.500     0.800     0.800 peak  2437 spectrum    1 weight  0.10000E+01 volume  0.65293E-02 ppm1      4.057 ppm2      8.243 CV     1
 OR { 2437}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 19   and name HN  ))
 OR { 2437}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
 OR { 2437}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 2439}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 67   and name HN  ))
      3.500     1.500     1.500 peak  2439 spectrum    1 weight  0.10000E+01 volume  0.13266E-02 ppm1      3.885 ppm2      7.495 CV     1
 ASSI { 2444}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 46   and name HG2 ))
      4.100     2.100     1.900 peak  2444 spectrum    1 weight  0.10000E+01 volume  0.20483E-03 ppm1      3.894 ppm2      2.752 CV     1
 ASSI { 2446}
   (( segid "    " and resid 28   and name HA2 ))
   (( segid "    " and resid 29   and name HB1 ))
      5.000     3.100     1.000 peak  2446 spectrum    1 weight  0.10000E+01 volume  0.30033E-03 ppm1      3.870 ppm2      2.887 CV     1
 ASSI { 2447}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HB1 ))
      4.200     2.200     1.800 peak  2447 spectrum    1 weight  0.10000E+01 volume  0.80408E-03 ppm1      4.075 ppm2      2.839 CV     1
 OR { 2447}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR { 2447}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HB1 ))
 OR { 2447}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI { 2461}
   (( segid "    " and resid 66   and name HA1 ))
   (  segid "    " and resid 45   and name HD2%)
      5.400     3.600     0.600 peak  2461 spectrum    1 weight  0.10000E+01 volume  0.24859E-03 ppm1      4.109 ppm2      0.344 CV     1
 ASSI { 2462}
   (( segid "    " and resid 66   and name HA1 ))
   (  segid "    " and resid 45   and name HD1%)
      5.400     3.700     0.600 peak  2462 spectrum    1 weight  0.10000E+01 volume  0.26976E-03 ppm1      4.117 ppm2      0.233 CV     1
 ASSI { 2463}
   (( segid "    " and resid 66   and name HA2 ))
   (  segid "    " and resid 45   and name HD2%)
      5.100     3.300     0.900 peak  2463 spectrum    1 weight  0.10000E+01 volume  0.12063E-03 ppm1      3.888 ppm2      0.344 CV     1
 ASSI { 2464}
   (( segid "    " and resid 66   and name HA2 ))
   (  segid "    " and resid 45   and name HD1%)
      4.400     2.400     1.600 peak  2464 spectrum    1 weight  0.10000E+01 volume  0.12825E-03 ppm1      3.891 ppm2      0.226 CV     1
 ASSI { 2475}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HN  ))
      2.800     1.000     1.000 peak  2475 spectrum    1 weight  0.10000E+01 volume  0.35655E-02 ppm1      4.019 ppm2      7.585 CV     1
 OR { 2475}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 81   and name HN  ))
 ASSI { 2476}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 39   and name HN  ))
      2.900     1.000     1.000 peak  2476 spectrum    1 weight  0.10000E+01 volume  0.54258E-02 ppm1      4.257 ppm2      7.714 CV     1
 ASSI { 2477}
   (( segid "    " and resid 39   and name HA2 ))
   (( segid "    " and resid 39   and name HN  ))
      2.300     0.700     0.700 peak  2477 spectrum    1 weight  0.10000E+01 volume  0.67906E-02 ppm1      3.876 ppm2      7.713 CV     1
 ASSI { 2478}
   (( segid "    " and resid 39   and name HA1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.300     1.400     1.400 peak  2478 spectrum    1 weight  0.10000E+01 volume  0.15399E-02 ppm1      4.257 ppm2      8.060 CV     1
 ASSI { 2479}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 80   and name HN  ))
      2.200     0.600     0.600 peak  2479 spectrum    1 weight  0.10000E+01 volume  0.10581E-01 ppm1      4.020 ppm2      8.417 CV     1
 OR { 2479}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 80   and name HN  ))
 ASSI { 2481}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 83   and name HN  ))
      3.500     1.600     1.600 peak  2481 spectrum    1 weight  0.10000E+01 volume  0.87638E-03 ppm1      4.020 ppm2      7.954 CV     1
 OR { 2481}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 83   and name HN  ))
 ASSI { 2485}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HA  ))
      4.800     2.800     1.200 peak  2485 spectrum    1 weight  0.10000E+01 volume  0.29403E-03 ppm1      4.018 ppm2      4.901 CV     1
 OR { 2485}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI { 2490}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 81   and name HA  ))
      3.700     1.700     1.700 peak  2490 spectrum    1 weight  0.10000E+01 volume  0.86657E-03 ppm1      4.019 ppm2      4.463 CV     1
 OR { 2490}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI { 2492}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 79   and name HB1 ))
      4.700     2.800     1.300 peak  2492 spectrum    1 weight  0.10000E+01 volume  0.39035E-03 ppm1      4.019 ppm2      3.099 CV     1
 OR { 2492}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 79   and name HB1 ))
 ASSI { 2497}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 78   and name HA  ))
      4.400     2.500     1.600 peak  2497 spectrum    1 weight  0.10000E+01 volume  0.42483E-03 ppm1      4.018 ppm2      3.746 CV     1
 OR { 2497}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 78   and name HA  ))
 ASSI { 2501}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak  2501 spectrum    1 weight  0.10000E+01 volume  0.35878E-02 ppm1      4.088 ppm2      7.525 CV     1
 OR { 2501}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 2502}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HN  ))
      4.400     2.400     1.600 peak  2502 spectrum    1 weight  0.10000E+01 volume  0.13962E-02 ppm1      4.087 ppm2      8.116 CV     1
 OR { 2502}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2503}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 57   and name HN  ))
      2.200     0.600     0.600 peak  2503 spectrum    1 weight  0.10000E+01 volume  0.11413E-01 ppm1      4.088 ppm2      7.963 CV     1
 OR { 2503}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 57   and name HN  ))
 ASSI { 2505}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 56   and name HB1 ))
      5.300     3.500     0.700 peak  2505 spectrum    1 weight  0.10000E+01 volume  0.17533E-03 ppm1      4.089 ppm2      3.456 CV     1
 OR { 2505}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HB1 ))
 ASSI { 2510}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HB  ))
      4.000     2.000     2.000 peak  2510 spectrum    1 weight  0.10000E+01 volume  0.13150E-02 ppm1      4.009 ppm2      1.787 CV     1
 ASSI { 2511}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HB  ))
      3.900     1.900     1.900 peak  2511 spectrum    1 weight  0.10000E+01 volume  0.13005E-02 ppm1      3.572 ppm2      1.787 CV     1
 ASSI { 2513}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HG2 ))
      3.000     1.100     1.100 peak  2513 spectrum    1 weight  0.10000E+01 volume  0.15226E-02 ppm1      4.026 ppm2      1.311 CV     1
 ASSI { 2514}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 70   and name HG2%)
      4.000     2.000     2.000 peak  2514 spectrum    1 weight  0.10000E+01 volume  0.10657E-02 ppm1      2.809 ppm2      1.071 CV     1
 ASSI { 2518}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 60   and name HD1%)
      4.800     2.800     1.200 peak  2518 spectrum    1 weight  0.10000E+01 volume  0.39873E-03 ppm1      3.571 ppm2      0.836 CV     1
 ASSI { 2519}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 70   and name HG2%)
      3.800     1.800     1.800 peak  2519 spectrum    1 weight  0.10000E+01 volume  0.19030E-02 ppm1      4.027 ppm2      1.064 CV     1
 ASSI { 2521}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 71   and name HB2 ))
      3.800     1.800     1.800 peak  2521 spectrum    1 weight  0.10000E+01 volume  0.12782E-02 ppm1      4.023 ppm2      2.024 CV     1
 ASSI { 2523}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG1 ))
      2.400     0.700     0.700 peak  2523 spectrum    1 weight  0.10000E+01 volume  0.54609E-02 ppm1      3.572 ppm2      2.134 CV     1
 OR { 2523}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HG2 ))
 ASSI { 2527}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HG1 ))
      3.400     1.400     1.400 peak  2527 spectrum    1 weight  0.10000E+01 volume  0.15539E-02 ppm1      2.810 ppm2      2.179 CV     1
 ASSI { 2530}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 70   and name HA  ))
      2.800     1.000     1.000 peak  2530 spectrum    1 weight  0.10000E+01 volume  0.36174E-02 ppm1      2.811 ppm2      4.953 CV     1
 ASSI { 2532}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HA  ))
      2.000     0.500     0.500 peak  2532 spectrum    1 weight  0.10000E+01 volume  0.95420E-02 ppm1      4.009 ppm2      4.655 CV     1
 ASSI { 2533}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HA  ))
      2.200     0.600     0.600 peak  2533 spectrum    1 weight  0.10000E+01 volume  0.62123E-02 ppm1      3.571 ppm2      4.655 CV     1
 ASSI { 2534}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 61   and name HA  ))
      3.800     1.800     1.800 peak  2534 spectrum    1 weight  0.10000E+01 volume  0.65479E-03 ppm1      4.010 ppm2      4.532 CV     1
 ASSI { 2535}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 61   and name HA  ))
      4.300     2.300     1.700 peak  2535 spectrum    1 weight  0.10000E+01 volume  0.43493E-03 ppm1      3.570 ppm2      4.531 CV     1
 ASSI { 2537}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 64   and name HN  ))
      5.000     3.100     1.000 peak  2537 spectrum    1 weight  0.10000E+01 volume  0.30985E-03 ppm1      3.573 ppm2      7.400 CV     1
 ASSI { 2538}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 35   and name HE% )
      4.700     2.800     1.300 peak  2538 spectrum    1 weight  0.10000E+01 volume  0.38195E-03 ppm1      2.812 ppm2      6.921 CV     1
 ASSI { 2547}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 72   and name HN  ))
      4.100     2.100     1.900 peak  2547 spectrum    1 weight  0.10000E+01 volume  0.86553E-03 ppm1      4.027 ppm2      9.000 CV     1
 ASSI { 2548}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 72   and name HN  ))
      3.400     1.500     1.500 peak  2548 spectrum    1 weight  0.10000E+01 volume  0.41237E-03 ppm1      2.810 ppm2      8.999 CV     1
 ASSI { 2555}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 31   and name HA  ))
      4.600     2.700     1.400 peak  2555 spectrum    1 weight  0.10000E+01 volume  0.67472E-03 ppm1      4.023 ppm2      3.305 CV     1
 ASSI { 2557}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 71   and name HB2 ))
      3.400     1.500     1.500 peak  2557 spectrum    1 weight  0.10000E+01 volume  0.61720E-03 ppm1      2.809 ppm2      2.014 CV     1
 ASSI { 2567}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      2.900     1.000     1.000 peak  2567 spectrum    1 weight  0.10000E+01 volume  0.32189E-02 ppm1      4.472 ppm2      7.828 CV     1
 ASSI { 2568}
   (( segid "    " and resid 85   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.100     1.200     1.200 peak  2568 spectrum    1 weight  0.10000E+01 volume  0.21289E-02 ppm1      4.472 ppm2      7.968 CV     1
 ASSI { 2575}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.800     1.000     1.000 peak  2575 spectrum    1 weight  0.10000E+01 volume  0.51996E-02 ppm1      4.745 ppm2      8.921 CV     1
 ASSI { 2576}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      3.000     1.100     1.100 peak  2576 spectrum    1 weight  0.10000E+01 volume  0.20731E-02 ppm1      4.743 ppm2      7.971 CV     1
 ASSI { 2577}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      2.600     0.800     0.800 peak  2577 spectrum    1 weight  0.10000E+01 volume  0.60646E-02 ppm1      4.745 ppm2      3.291 CV     1
 ASSI { 2578}
   (( segid "    " and resid 41   and name HA  ))
   (( segid "    " and resid 41   and name HB2 ))
      2.700     0.900     0.900 peak  2578 spectrum    1 weight  0.10000E+01 volume  0.43301E-02 ppm1      4.745 ppm2      2.857 CV     1
 ASSI { 2581}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
      2.300     0.600     0.600 peak  2581 spectrum    1 weight  0.10000E+01 volume  0.74594E-02 ppm1      4.313 ppm2      8.458 CV     1
 ASSI { 2582}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak  2582 spectrum    1 weight  0.10000E+01 volume  0.32021E-02 ppm1      4.357 ppm2      8.462 CV     1
 ASSI { 2583}
   (( segid "    " and resid 86   and name HA  ))
   (( segid "    " and resid 86   and name HN  ))
      3.300     1.400     1.400 peak  2583 spectrum    1 weight  0.10000E+01 volume  0.13954E-02 ppm1      4.221 ppm2      7.968 CV     1
 ASSI { 2584}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.800     0.800 peak  2584 spectrum    1 weight  0.10000E+01 volume  0.54067E-02 ppm1      4.280 ppm2      7.956 CV     1
 ASSI { 2585}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      3.300     1.400     1.400 peak  2585 spectrum    1 weight  0.10000E+01 volume  0.13713E-02 ppm1      4.458 ppm2      8.275 CV     1
 ASSI { 2588}
   (( segid "    " and resid 83   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.900     1.100     1.100 peak  2588 spectrum    1 weight  0.10000E+01 volume  0.37478E-02 ppm1      4.279 ppm2      7.747 CV     1
 ASSI { 2590}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      3.400     1.500     1.500 peak  2590 spectrum    1 weight  0.10000E+01 volume  0.91196E-03 ppm1      4.456 ppm2      7.751 CV     1
 ASSI { 2591}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      2.700     0.900     0.900 peak  2591 spectrum    1 weight  0.10000E+01 volume  0.41976E-02 ppm1      4.456 ppm2      7.585 CV     1
 ASSI { 2593}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak  2593 spectrum    1 weight  0.10000E+01 volume  0.21283E-02 ppm1      4.707 ppm2      8.602 CV     1
 ASSI { 2595}
   (( segid "    " and resid 26   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.500     1.600     1.600 peak  2595 spectrum    1 weight  0.10000E+01 volume  0.99386E-03 ppm1      4.363 ppm2      7.314 CV     1
 OR { 2595}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 2596}
   (( segid "    " and resid 32   and name HA  ))
   (( segid "    " and resid 32   and name HB1 ))
      2.800     0.900     0.900 peak  2596 spectrum    1 weight  0.10000E+01 volume  0.40872E-02 ppm1      5.046 ppm2      3.031 CV     1
 ASSI { 2598}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.700     0.900     0.900 peak  2598 spectrum    1 weight  0.10000E+01 volume  0.36193E-02 ppm1      4.711 ppm2      2.754 CV     1
 ASSI { 2600}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak  2600 spectrum    1 weight  0.10000E+01 volume  0.10093E-02 ppm1      4.362 ppm2      3.291 CV     1
 ASSI { 2601}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      3.300     1.400     1.400 peak  2601 spectrum    1 weight  0.10000E+01 volume  0.14871E-02 ppm1      4.361 ppm2      3.014 CV     1
 ASSI { 2608}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HG  ))
      3.200     1.300     1.300 peak  2608 spectrum    1 weight  0.10000E+01 volume  0.16724E-02 ppm1      4.360 ppm2      1.573 CV     1
 ASSI { 2610}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.800     1.000     1.000 peak  2610 spectrum    1 weight  0.10000E+01 volume  0.44394E-02 ppm1      4.312 ppm2      1.409 CV     1
 ASSI { 2614}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
      2.500     0.800     0.800 peak  2614 spectrum    1 weight  0.10000E+01 volume  0.40694E-02 ppm1      4.313 ppm2      1.774 CV     1
 OR { 2614}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI { 2615}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.500     0.800     0.800 peak  2615 spectrum    1 weight  0.10000E+01 volume  0.49598E-02 ppm1      4.361 ppm2      1.232 CV     1
 ASSI { 2621}
   (( segid "    " and resid 33   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      2.800     1.000     1.000 peak  2621 spectrum    1 weight  0.10000E+01 volume  0.25000E-02 ppm1      4.313 ppm2      1.065 CV     1
 ASSI { 2639}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.300     1.300     1.300 peak  2639 spectrum    1 weight  0.10000E+01 volume  0.12762E-02 ppm1      5.271 ppm2      7.472 CV     1
 ASSI { 2640}
   (( segid "    " and resid 69   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      2.700     0.900     0.900 peak  2640 spectrum    1 weight  0.10000E+01 volume  0.18355E-02 ppm1      5.267 ppm2      7.114 CV     1
 ASSI { 2641}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      3.000     1.100     1.100 peak  2641 spectrum    1 weight  0.10000E+01 volume  0.24058E-02 ppm1      4.519 ppm2      7.401 CV     1
 ASSI { 2643}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak  2643 spectrum    1 weight  0.10000E+01 volume  0.36778E-02 ppm1      4.399 ppm2      7.705 CV     1
 ASSI { 2644}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      2.600     0.900     0.900 peak  2644 spectrum    1 weight  0.10000E+01 volume  0.41339E-02 ppm1      4.257 ppm2      8.226 CV     1
 ASSI { 2645}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.400     1.500     1.500 peak  2645 spectrum    1 weight  0.10000E+01 volume  0.11616E-02 ppm1      4.257 ppm2      8.111 CV     1
 ASSI { 2646}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 44   and name HN  ))
      2.700     0.900     0.900 peak  2646 spectrum    1 weight  0.10000E+01 volume  0.36323E-02 ppm1      4.308 ppm2      8.157 CV     1
 ASSI { 2647}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak  2647 spectrum    1 weight  0.10000E+01 volume  0.27504E-02 ppm1      4.358 ppm2      8.147 CV     1
 ASSI { 2648}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.300     1.400     1.400 peak  2648 spectrum    1 weight  0.10000E+01 volume  0.12525E-02 ppm1      3.952 ppm2      8.228 CV     1
 ASSI { 2649}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      2.700     0.900     0.900 peak  2649 spectrum    1 weight  0.10000E+01 volume  0.29220E-02 ppm1      3.986 ppm2      8.219 CV     1
 ASSI { 2651}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.900     0.900 peak  2651 spectrum    1 weight  0.10000E+01 volume  0.33016E-02 ppm1      3.950 ppm2      8.757 CV     1
 ASSI { 2652}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.900     1.000     1.000 peak  2652 spectrum    1 weight  0.10000E+01 volume  0.43897E-02 ppm1      4.619 ppm2      2.072 CV     1
 ASSI { 2653}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.500     0.800     0.800 peak  2653 spectrum    1 weight  0.10000E+01 volume  0.83734E-02 ppm1      4.519 ppm2      2.824 CV     1
 ASSI { 2654}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.400     0.700     0.700 peak  2654 spectrum    1 weight  0.10000E+01 volume  0.89414E-02 ppm1      4.519 ppm2      2.739 CV     1
 ASSI { 2655}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.000     1.100     1.100 peak  2655 spectrum    1 weight  0.10000E+01 volume  0.14457E-02 ppm1      3.950 ppm2      8.415 CV     1
 ASSI { 2656}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.200     1.300     1.300 peak  2656 spectrum    1 weight  0.10000E+01 volume  0.14376E-02 ppm1      4.257 ppm2      8.960 CV     1
 ASSI { 2657}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.200     1.300     1.300 peak  2657 spectrum    1 weight  0.10000E+01 volume  0.18360E-02 ppm1      4.308 ppm2      8.492 CV     1
 ASSI { 2658}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      1.900     0.500     0.500 peak  2658 spectrum    1 weight  0.10000E+01 volume  0.10989E-01 ppm1      4.358 ppm2      9.429 CV     1
 ASSI { 2659}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak  2659 spectrum    1 weight  0.10000E+01 volume  0.21603E-02 ppm1      4.523 ppm2      9.426 CV     1
 ASSI { 2660}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      2.000     0.500     0.500 peak  2660 spectrum    1 weight  0.10000E+01 volume  0.10582E-01 ppm1      4.524 ppm2      9.030 CV     1
 ASSI { 2661}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      2.700     0.900     0.900 peak  2661 spectrum    1 weight  0.10000E+01 volume  0.43951E-02 ppm1      4.519 ppm2      8.620 CV     1
 ASSI { 2662}
   (( segid "    " and resid 63   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      4.200     2.200     1.800 peak  2662 spectrum    1 weight  0.10000E+01 volume  0.50342E-03 ppm1      4.521 ppm2      8.223 CV     1
 ASSI { 2664}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      3.500     1.500     1.500 peak  2664 spectrum    1 weight  0.10000E+01 volume  0.97553E-03 ppm1      4.400 ppm2      8.408 CV     1
 ASSI { 2666}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      2.800     1.000     1.000 peak  2666 spectrum    1 weight  0.10000E+01 volume  0.27963E-02 ppm1      4.615 ppm2      7.492 CV     1
 ASSI { 2667}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.900     1.100     1.100 peak  2667 spectrum    1 weight  0.10000E+01 volume  0.20973E-02 ppm1      5.266 ppm2      9.098 CV     1
 ASSI { 2669}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      4.000     2.000     2.000 peak  2669 spectrum    1 weight  0.10000E+01 volume  0.75110E-03 ppm1      4.255 ppm2      8.037 CV     1
 ASSI { 2670}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 70   and name HA  ))
      3.200     1.300     1.300 peak  2670 spectrum    1 weight  0.10000E+01 volume  0.68355E-03 ppm1      4.733 ppm2      4.955 CV     1
 ASSI { 2673}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 51   and name HD2 ))
      4.100     2.100     1.900 peak  2673 spectrum    1 weight  0.10000E+01 volume  0.65381E-03 ppm1      4.399 ppm2      3.302 CV     1
 ASSI { 2674}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      2.500     0.800     0.800 peak  2674 spectrum    1 weight  0.10000E+01 volume  0.42445E-02 ppm1      5.267 ppm2      3.011 CV     1
 ASSI { 2675}
   (( segid "    " and resid 69   and name HA  ))
   (( segid "    " and resid 69   and name HB2 ))
      2.900     1.100     1.100 peak  2675 spectrum    1 weight  0.10000E+01 volume  0.43328E-02 ppm1      5.267 ppm2      2.878 CV     1
 ASSI { 2676}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak  2676 spectrum    1 weight  0.10000E+01 volume  0.36567E-02 ppm1      4.257 ppm2      2.349 CV     1
 ASSI { 2677}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.700     0.900     0.900 peak  2677 spectrum    1 weight  0.10000E+01 volume  0.29624E-02 ppm1      4.307 ppm2      2.337 CV     1
 ASSI { 2678}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HG2 ))
      3.900     3.900     2.100 peak  2678 spectrum    1 weight  0.10000E+01 volume  0.62815E-03 ppm1      4.394 ppm2      2.389 CV     1
 ASSI { 2680}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.200     1.300     1.300 peak  2680 spectrum    1 weight  0.10000E+01 volume  0.88082E-03 ppm1      4.396 ppm2      2.149 CV     1
 ASSI { 2681}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.800     1.800     1.800 peak  2681 spectrum    1 weight  0.10000E+01 volume  0.24206E-02 ppm1      4.256 ppm2      2.501 CV     1
 ASSI { 2683}
   (( segid "    " and resid 50   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      3.100     1.200     1.200 peak  2683 spectrum    1 weight  0.10000E+01 volume  0.10970E-02 ppm1      4.257 ppm2      2.758 CV     1
 ASSI { 2684}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      2.600     0.800     0.800 peak  2684 spectrum    1 weight  0.10000E+01 volume  0.33363E-02 ppm1      4.620 ppm2      1.849 CV     1
 ASSI { 2685}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
      2.800     1.000     1.000 peak  2685 spectrum    1 weight  0.10000E+01 volume  0.31049E-02 ppm1      4.616 ppm2      1.742 CV     1
 OR { 2685}
   (( segid "    " and resid 67   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
 ASSI { 2688}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HG2 ))
      2.700     0.900     0.900 peak  2688 spectrum    1 weight  0.10000E+01 volume  0.19536E-02 ppm1      4.734 ppm2      1.628 CV     1
 ASSI { 2689}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.700     0.900     0.900 peak  2689 spectrum    1 weight  0.10000E+01 volume  0.20495E-02 ppm1      4.735 ppm2      2.175 CV     1
 ASSI { 2694}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
      3.500     1.500     1.500 peak  2694 spectrum    1 weight  0.10000E+01 volume  0.18028E-02 ppm1      3.985 ppm2      1.128 CV     1
 ASSI { 2699}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      4.300     2.300     1.700 peak  2699 spectrum    1 weight  0.10000E+01 volume  0.68851E-03 ppm1      4.358 ppm2      1.367 CV     1
 ASSI { 2701}
   (( segid "    " and resid 50   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.200     0.600     0.600 peak  2701 spectrum    1 weight  0.10000E+01 volume  0.11669E-01 ppm1      4.257 ppm2      1.647 CV     1
 ASSI { 2702}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      2.100     0.500     0.500 peak  2702 spectrum    1 weight  0.10000E+01 volume  0.11856E-01 ppm1      4.397 ppm2      1.669 CV     1
 ASSI { 2703}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.300     0.700     0.700 peak  2703 spectrum    1 weight  0.10000E+01 volume  0.53716E-02 ppm1      4.524 ppm2      1.571 CV     1
 OR { 2703}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 2704}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.800     0.900     0.900 peak  2704 spectrum    1 weight  0.10000E+01 volume  0.35133E-02 ppm1      4.523 ppm2      1.368 CV     1
 ASSI { 2705}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      2.500     0.800     0.800 peak  2705 spectrum    1 weight  0.10000E+01 volume  0.37199E-02 ppm1      4.523 ppm2      0.625 CV     1
 OR { 2705}
   (( segid "    " and resid 5    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 2725}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
      3.800     1.800     1.800 peak  2725 spectrum    1 weight  0.10000E+01 volume  0.67348E-03 ppm1      3.981 ppm2      7.489 CV     1
 ASSI { 2726}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      4.300     2.300     1.700 peak  2726 spectrum    1 weight  0.10000E+01 volume  0.58208E-03 ppm1      3.987 ppm2      7.318 CV     1
 ASSI { 2730}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HG1 ))
      4.200     2.200     1.800 peak  2730 spectrum    1 weight  0.10000E+01 volume  0.44057E-03 ppm1      4.401 ppm2      2.616 CV     1
 ASSI { 2731}
   (( segid "    " and resid 44   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      4.700     2.800     1.300 peak  2731 spectrum    1 weight  0.10000E+01 volume  0.55058E-03 ppm1      4.312 ppm2      2.609 CV     1
 ASSI { 2735}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
      4.500     2.600     1.500 peak  2735 spectrum    1 weight  0.10000E+01 volume  0.61549E-03 ppm1      4.364 ppm2      0.621 CV     1
 OR { 2735}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 2738}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.700     0.900     0.900 peak  2738 spectrum    1 weight  0.10000E+01 volume  0.39630E-02 ppm1      4.451 ppm2      8.823 CV     1
 ASSI { 2740}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 63   and name HN  ))
      3.100     1.200     1.200 peak  2740 spectrum    1 weight  0.10000E+01 volume  0.21732E-02 ppm1      4.451 ppm2      8.618 CV     1
 ASSI { 2741}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.700     0.900     0.900 peak  2741 spectrum    1 weight  0.10000E+01 volume  0.35476E-02 ppm1      4.471 ppm2      8.478 CV     1
 ASSI { 2743}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HN  ))
      2.700     0.900     0.900 peak  2743 spectrum    1 weight  0.10000E+01 volume  0.28839E-02 ppm1      4.212 ppm2      8.275 CV     1
 ASSI { 2744}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 83   and name HN  ))
      3.200     1.300     1.300 peak  2744 spectrum    1 weight  0.10000E+01 volume  0.15578E-02 ppm1      4.212 ppm2      7.956 CV     1
 ASSI { 2746}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 85   and name HN  ))
      3.200     1.300     1.300 peak  2746 spectrum    1 weight  0.10000E+01 volume  0.17935E-02 ppm1      4.387 ppm2      7.836 CV     1
 ASSI { 2747}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HN  ))
      2.700     0.900     0.900 peak  2747 spectrum    1 weight  0.10000E+01 volume  0.37875E-02 ppm1      4.389 ppm2      7.747 CV     1
 ASSI { 2751}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.400     0.700     0.700 peak  2751 spectrum    1 weight  0.10000E+01 volume  0.65985E-02 ppm1      4.451 ppm2      2.824 CV     1
 ASSI { 2753}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HG2 ))
      3.100     1.200     1.200 peak  2753 spectrum    1 weight  0.10000E+01 volume  0.16113E-02 ppm1      4.388 ppm2      2.459 CV     1
 ASSI { 2754}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG1 ))
      3.000     1.100     1.100 peak  2754 spectrum    1 weight  0.10000E+01 volume  0.28705E-02 ppm1      4.473 ppm2      2.404 CV     1
 OR { 2754}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG2 ))
 ASSI { 2755}
   (( segid "    " and resid 84   and name HA  ))
   (( segid "    " and resid 84   and name HB1 ))
      2.600     0.800     0.800 peak  2755 spectrum    1 weight  0.10000E+01 volume  0.40944E-02 ppm1      4.388 ppm2      2.275 CV     1
 ASSI { 2756}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.700     0.900     0.900 peak  2756 spectrum    1 weight  0.10000E+01 volume  0.45894E-02 ppm1      4.471 ppm2      2.230 CV     1
 ASSI { 2758}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.900     1.000     1.000 peak  2758 spectrum    1 weight  0.10000E+01 volume  0.25983E-02 ppm1      4.471 ppm2      2.069 CV     1
 ASSI { 2759}
   (( segid "    " and resid 62   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      2.700     0.900     0.900 peak  2759 spectrum    1 weight  0.10000E+01 volume  0.30084E-02 ppm1      4.451 ppm2      1.390 CV     1
 ASSI { 2762}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.600     0.900     0.900 peak  2762 spectrum    1 weight  0.10000E+01 volume  0.29171E-02 ppm1      4.213 ppm2      2.009 CV     1
 ASSI { 2763}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HG  ))
      3.000     1.200     1.200 peak  2763 spectrum    1 weight  0.10000E+01 volume  0.22559E-02 ppm1      4.211 ppm2      1.838 CV     1
 ASSI { 2765}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
      2.200     0.600     0.600 peak  2765 spectrum    1 weight  0.10000E+01 volume  0.12892E-01 ppm1      4.212 ppm2      0.981 CV     1
 OR { 2765}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2766}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      4.300     2.300     1.700 peak  2766 spectrum    1 weight  0.10000E+01 volume  0.61549E-03 ppm1      4.209 ppm2      0.873 CV     1
 ASSI { 2769}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      4.400     2.400     1.600 peak  2769 spectrum    1 weight  0.10000E+01 volume  0.45365E-03 ppm1      4.472 ppm2      1.242 CV     1
 ASSI { 2777}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
      3.400     1.400     1.400 peak  2777 spectrum    1 weight  0.10000E+01 volume  0.71805E-03 ppm1      3.948 ppm2      2.029 CV     1
 ASSI { 2787}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.900     0.900 peak  2787 spectrum    1 weight  0.10000E+01 volume  0.24957E-02 ppm1      3.305 ppm2      7.509 CV     1
 ASSI { 2788}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak  2788 spectrum    1 weight  0.10000E+01 volume  0.41749E-02 ppm1      3.887 ppm2      8.723 CV     1
 ASSI { 2789}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      2.500     0.800     0.800 peak  2789 spectrum    1 weight  0.10000E+01 volume  0.33447E-02 ppm1      3.889 ppm2      8.461 CV     1
 ASSI { 2790}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 48   and name HN  ))
      3.400     1.400     1.400 peak  2790 spectrum    1 weight  0.10000E+01 volume  0.11466E-02 ppm1      3.889 ppm2      8.318 CV     1
 ASSI { 2792}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.100     1.200     1.200 peak  2792 spectrum    1 weight  0.10000E+01 volume  0.13426E-02 ppm1      3.305 ppm2      8.999 CV     1
 ASSI { 2795}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
      3.700     1.700     1.700 peak  2795 spectrum    1 weight  0.10000E+01 volume  0.93008E-03 ppm1      3.302 ppm2      7.310 CV     1
 ASSI { 2796}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      2.800     1.000     1.000 peak  2796 spectrum    1 weight  0.10000E+01 volume  0.86321E-03 ppm1      3.891 ppm2      6.967 CV     1
 ASSI { 2797}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      3.300     1.400     1.400 peak  2797 spectrum    1 weight  0.10000E+01 volume  0.14958E-02 ppm1      3.890 ppm2      6.751 CV     1
 ASSI { 2799}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.800     0.800 peak  2799 spectrum    1 weight  0.10000E+01 volume  0.36575E-02 ppm1      4.267 ppm2      7.786 CV     1
 ASSI { 2800}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      3.000     1.100     1.100 peak  2800 spectrum    1 weight  0.10000E+01 volume  0.18262E-02 ppm1      4.273 ppm2      8.264 CV     1
 ASSI { 2802}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak  2802 spectrum    1 weight  0.10000E+01 volume  0.46434E-02 ppm1      4.272 ppm2      8.003 CV     1
 ASSI { 2803}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      2.600     0.900     0.900 peak  2803 spectrum    1 weight  0.10000E+01 volume  0.26248E-02 ppm1      4.305 ppm2      7.710 CV     1
 ASSI { 2804}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
      2.500     0.800     0.800 peak  2804 spectrum    1 weight  0.10000E+01 volume  0.28978E-02 ppm1      4.308 ppm2      7.439 CV     1
 ASSI { 2805}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      2.700     0.900     0.900 peak  2805 spectrum    1 weight  0.10000E+01 volume  0.26532E-02 ppm1      4.209 ppm2      8.068 CV     1
 ASSI { 2806}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.200     1.200     1.200 peak  2806 spectrum    1 weight  0.10000E+01 volume  0.12737E-02 ppm1      4.207 ppm2      7.702 CV     1
 ASSI { 2807}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      3.100     1.200     1.200 peak  2807 spectrum    1 weight  0.10000E+01 volume  0.14195E-02 ppm1      4.261 ppm2      8.496 CV     1
 ASSI { 2808}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak  2808 spectrum    1 weight  0.10000E+01 volume  0.24427E-02 ppm1      4.395 ppm2      8.399 CV     1
 ASSI { 2811}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 40   and name HD% )
      2.700     0.900     0.900 peak  2811 spectrum    1 weight  0.10000E+01 volume  0.22895E-02 ppm1      4.582 ppm2      6.969 CV     1
 ASSI { 2812}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.900     1.000     1.000 peak  2812 spectrum    1 weight  0.10000E+01 volume  0.24566E-02 ppm1      4.549 ppm2      7.886 CV     1
 ASSI { 2820}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.400     1.400     1.400 peak  2820 spectrum    1 weight  0.10000E+01 volume  0.10090E-02 ppm1      4.212 ppm2      8.835 CV     1
 ASSI { 2822}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.100     1.200     1.200 peak  2822 spectrum    1 weight  0.10000E+01 volume  0.12269E-02 ppm1      4.256 ppm2      8.758 CV     1
 ASSI { 2823}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      3.500     1.500     1.500 peak  2823 spectrum    1 weight  0.10000E+01 volume  0.61797E-03 ppm1      4.312 ppm2      8.961 CV     1
 ASSI { 2824}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.600     1.600     1.600 peak  2824 spectrum    1 weight  0.10000E+01 volume  0.64142E-03 ppm1      4.303 ppm2      8.733 CV     1
 ASSI { 2825}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      2.500     0.800     0.800 peak  2825 spectrum    1 weight  0.10000E+01 volume  0.28933E-02 ppm1      4.304 ppm2      8.413 CV     1
 ASSI { 2829}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 41   and name HN  ))
      2.100     0.500     0.500 peak  2829 spectrum    1 weight  0.10000E+01 volume  0.99055E-02 ppm1      4.582 ppm2      7.974 CV     1
 ASSI { 2831}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HN  ))
      2.800     1.000     1.000 peak  2831 spectrum    1 weight  0.10000E+01 volume  0.19475E-02 ppm1      4.580 ppm2      8.070 CV     1
 ASSI { 2833}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.100     1.100 peak  2833 spectrum    1 weight  0.10000E+01 volume  0.19558E-02 ppm1      4.620 ppm2      8.234 CV     1
 ASSI { 2835}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 40   and name HE% )
      3.500     1.500     1.500 peak  2835 spectrum    1 weight  0.10000E+01 volume  0.59670E-03 ppm1      4.394 ppm2      6.744 CV     1
 ASSI { 2839}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB2 ))
      2.600     0.800     0.800 peak  2839 spectrum    1 weight  0.10000E+01 volume  0.34298E-02 ppm1      4.739 ppm2      3.012 CV     1
 ASSI { 2840}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HB1 ))
      2.400     0.700     0.700 peak  2840 spectrum    1 weight  0.10000E+01 volume  0.58580E-02 ppm1      4.737 ppm2      3.294 CV     1
 ASSI { 2841}
   (( segid "    " and resid 70   and name HA  ))
   (( segid "    " and resid 71   and name HD1 ))
      2.200     0.600     0.600 peak  2841 spectrum    1 weight  0.10000E+01 volume  0.30982E-02 ppm1      4.961 ppm2      4.033 CV     1
 ASSI { 2843}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB1 ))
      2.400     0.700     0.700 peak  2843 spectrum    1 weight  0.10000E+01 volume  0.32600E-02 ppm1      4.580 ppm2      3.013 CV     1
 ASSI { 2844}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.800     0.900     0.900 peak  2844 spectrum    1 weight  0.10000E+01 volume  0.21183E-02 ppm1      4.547 ppm2      3.038 CV     1
 ASSI { 2847}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG1 ))
      3.300     1.300     1.300 peak  2847 spectrum    1 weight  0.10000E+01 volume  0.19270E-02 ppm1      4.260 ppm2      2.835 CV     1
 ASSI { 2849}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      3.000     1.100     1.100 peak  2849 spectrum    1 weight  0.10000E+01 volume  0.28651E-02 ppm1      3.886 ppm2      2.188 CV     1
 ASSI { 2851}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      3.600     1.600     1.600 peak  2851 spectrum    1 weight  0.10000E+01 volume  0.32320E-02 ppm1      3.304 ppm2      2.238 CV     1
 ASSI { 2852}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.200     0.600     0.600 peak  2852 spectrum    1 weight  0.10000E+01 volume  0.54108E-02 ppm1      3.305 ppm2      2.010 CV     1
 ASSI { 2853}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      4.300     2.300     1.700 peak  2853 spectrum    1 weight  0.10000E+01 volume  0.76246E-03 ppm1      3.306 ppm2      1.865 CV     1
 ASSI { 2860}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HG  ))
      2.400     0.700     0.700 peak  2860 spectrum    1 weight  0.10000E+01 volume  0.38636E-02 ppm1      4.735 ppm2      1.775 CV     1
 OR { 2860}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI { 2861}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.500     0.800     0.800 peak  2861 spectrum    1 weight  0.10000E+01 volume  0.41761E-02 ppm1      4.618 ppm2      2.047 CV     1
 OR { 2861}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2866}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.500     0.800     0.800 peak  2866 spectrum    1 weight  0.10000E+01 volume  0.30194E-02 ppm1      4.395 ppm2      1.981 CV     1
 ASSI { 2867}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
      2.800     1.000     1.000 peak  2867 spectrum    1 weight  0.10000E+01 volume  0.20588E-02 ppm1      4.396 ppm2      1.882 CV     1
 ASSI { 2869}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.900     1.000     1.000 peak  2869 spectrum    1 weight  0.10000E+01 volume  0.30487E-02 ppm1      4.395 ppm2      1.441 CV     1
 ASSI { 2870}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
      2.300     0.700     0.700 peak  2870 spectrum    1 weight  0.10000E+01 volume  0.84173E-02 ppm1      4.260 ppm2      2.319 CV     1
 OR { 2870}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 ASSI { 2879}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB1 ))
      2.300     0.700     0.700 peak  2879 spectrum    1 weight  0.10000E+01 volume  0.47696E-02 ppm1      4.277 ppm2      2.032 CV     1
 ASSI { 2883}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.700     0.900     0.900 peak  2883 spectrum    1 weight  0.10000E+01 volume  0.38915E-02 ppm1      4.306 ppm2      1.441 CV     1
 ASSI { 2884}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.100     1.200     1.200 peak  2884 spectrum    1 weight  0.10000E+01 volume  0.18244E-02 ppm1      4.208 ppm2      1.885 CV     1
 ASSI { 2887}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.500     0.800     0.800 peak  2887 spectrum    1 weight  0.10000E+01 volume  0.40550E-02 ppm1      3.888 ppm2      1.633 CV     1
 ASSI { 2891}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
      2.800     1.000     1.000 peak  2891 spectrum    1 weight  0.10000E+01 volume  0.20055E-02 ppm1      3.305 ppm2      1.193 CV     1
 ASSI { 2892}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.900     1.000     1.000 peak  2892 spectrum    1 weight  0.10000E+01 volume  0.28491E-02 ppm1      3.306 ppm2      1.030 CV     1
 ASSI { 2899}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.800     0.800 peak  2899 spectrum    1 weight  0.10000E+01 volume  0.40518E-02 ppm1      4.582 ppm2      2.785 CV     1
 ASSI { 2904}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
      2.200     0.600     0.600 peak  2904 spectrum    1 weight  0.10000E+01 volume  0.10350E-01 ppm1      4.272 ppm2      0.964 CV     1
 OR { 2904}
   (( segid "    " and resid 77   and name HA  ))
   (  segid "    " and resid 77   and name HD2%)
 ASSI { 2907}
   (( segid "    " and resid 30   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
      3.100     1.200     1.200 peak  2907 spectrum    1 weight  0.10000E+01 volume  0.61400E-02 ppm1      4.738 ppm2      1.062 CV     1
 ASSI { 2912}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.600     1.600     1.600 peak  2912 spectrum    1 weight  0.10000E+01 volume  0.12907E-02 ppm1      4.394 ppm2      0.884 CV     1
 ASSI { 2913}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      2.500     0.800     0.800 peak  2913 spectrum    1 weight  0.10000E+01 volume  0.78575E-02 ppm1      4.395 ppm2      0.758 CV     1
 ASSI { 2918}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.500     1.600     1.600 peak  2918 spectrum    1 weight  0.10000E+01 volume  0.12279E-02 ppm1      4.208 ppm2      0.626 CV     1
 OR { 2918}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 2919}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 5    and name HD1%)
      3.400     1.400     1.400 peak  2919 spectrum    1 weight  0.10000E+01 volume  0.20921E-02 ppm1      3.886 ppm2      0.607 CV     1
 ASSI { 2921}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      3.500     1.500     1.500 peak  2921 spectrum    1 weight  0.10000E+01 volume  0.31073E-02 ppm1      3.889 ppm2      0.231 CV     1
 ASSI { 2923}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      3.500     1.600     1.600 peak  2923 spectrum    1 weight  0.10000E+01 volume  0.14960E-02 ppm1      3.305 ppm2      0.777 CV     1
 ASSI { 2924}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      2.500     0.800     0.800 peak  2924 spectrum    1 weight  0.10000E+01 volume  0.71366E-02 ppm1      3.304 ppm2      0.456 CV     1
 ASSI { 2928}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HN  ))
      2.600     0.800     0.800 peak  2928 spectrum    1 weight  0.10000E+01 volume  0.42545E-02 ppm1      4.361 ppm2      9.558 CV     1
 ASSI { 2929}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     0.900     0.900 peak  2929 spectrum    1 weight  0.10000E+01 volume  0.30868E-02 ppm1      4.300 ppm2      8.230 CV     1
 ASSI { 2933}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.500     0.800     0.800 peak  2933 spectrum    1 weight  0.10000E+01 volume  0.38682E-02 ppm1      4.030 ppm2      7.974 CV     1
 ASSI { 2935}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 59   and name HN  ))
      2.200     0.600     0.600 peak  2935 spectrum    1 weight  0.10000E+01 volume  0.11902E-01 ppm1      4.681 ppm2      8.484 CV     1
 ASSI { 2937}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.600     0.900     0.900 peak  2937 spectrum    1 weight  0.10000E+01 volume  0.36244E-02 ppm1      4.766 ppm2      8.845 CV     1
 ASSI { 2939}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HN  ))
      2.700     0.900     0.900 peak  2939 spectrum    1 weight  0.10000E+01 volume  0.34410E-02 ppm1      4.226 ppm2      8.506 CV     1
 ASSI { 2940}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.400     1.400 peak  2940 spectrum    1 weight  0.10000E+01 volume  0.13394E-02 ppm1      4.238 ppm2      8.409 CV     1
 ASSI { 2941}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HN  ))
      3.200     1.300     1.300 peak  2941 spectrum    1 weight  0.10000E+01 volume  0.15472E-02 ppm1      4.260 ppm2      8.459 CV     1
 ASSI { 2954}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak  2954 spectrum    1 weight  0.10000E+01 volume  0.13271E-02 ppm1      4.028 ppm2      8.450 CV     1
 ASSI { 2957}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     1.400     1.400 peak  2957 spectrum    1 weight  0.10000E+01 volume  0.11548E-02 ppm1      4.028 ppm2      7.707 CV     1
 ASSI { 2962}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 37   and name HN  ))
      3.300     1.400     1.400 peak  2962 spectrum    1 weight  0.10000E+01 volume  0.11481E-02 ppm1      4.361 ppm2      7.555 CV     1
 ASSI { 2963}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 56   and name HD% )
      2.600     0.900     0.900 peak  2963 spectrum    1 weight  0.10000E+01 volume  0.41502E-02 ppm1      4.675 ppm2      7.436 CV     1
 ASSI { 2966}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.800     0.900     0.900 peak  2966 spectrum    1 weight  0.10000E+01 volume  0.35581E-02 ppm1      4.564 ppm2      4.141 CV     1
 ASSI { 2967}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.500     0.800     0.800 peak  2967 spectrum    1 weight  0.10000E+01 volume  0.53416E-02 ppm1      4.563 ppm2      4.050 CV     1
 ASSI { 2971}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HD1 ))
      4.300     2.300     1.700 peak  2971 spectrum    1 weight  0.10000E+01 volume  0.93519E-03 ppm1      4.233 ppm2      3.441 CV     1
 ASSI { 2974}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HD1 ))
      5.100     3.200     0.900 peak  2974 spectrum    1 weight  0.10000E+01 volume  0.37703E-03 ppm1      4.024 ppm2      3.360 CV     1
 ASSI { 2975}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HD1 ))
      3.900     1.900     1.900 peak  2975 spectrum    1 weight  0.10000E+01 volume  0.75089E-03 ppm1      4.090 ppm2      3.090 CV     1
 ASSI { 2976}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HD2 ))
      3.900     1.900     1.900 peak  2976 spectrum    1 weight  0.10000E+01 volume  0.10090E-02 ppm1      4.090 ppm2      3.016 CV     1
 ASSI { 2977}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HD1 ))
      3.100     1.200     1.200 peak  2977 spectrum    1 weight  0.10000E+01 volume  0.15942E-02 ppm1      4.297 ppm2      3.195 CV     1
 OR { 2977}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HD2 ))
 ASSI { 2981}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.400     0.700     0.700 peak  2981 spectrum    1 weight  0.10000E+01 volume  0.55626E-02 ppm1      4.360 ppm2      2.254 CV     1
 ASSI { 2982}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.700     0.900     0.900 peak  2982 spectrum    1 weight  0.10000E+01 volume  0.53297E-02 ppm1      4.361 ppm2      2.133 CV     1
 ASSI { 2983}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HG1 ))
      2.800     1.000     1.000 peak  2983 spectrum    1 weight  0.10000E+01 volume  0.22475E-02 ppm1      4.228 ppm2      2.604 CV     1
 ASSI { 2986}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.400     0.700     0.700 peak  2986 spectrum    1 weight  0.10000E+01 volume  0.50654E-02 ppm1      4.235 ppm2      2.015 CV     1
 ASSI { 2987}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.400     0.700     0.700 peak  2987 spectrum    1 weight  0.10000E+01 volume  0.71635E-02 ppm1      4.236 ppm2      2.484 CV     1
 OR { 2987}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 73   and name HG2 ))
 ASSI { 2994}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.100     1.200     1.200 peak  2994 spectrum    1 weight  0.10000E+01 volume  0.21352E-02 ppm1      4.028 ppm2      1.918 CV     1
 ASSI { 2995}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.700     0.900     0.900 peak  2995 spectrum    1 weight  0.10000E+01 volume  0.60258E-02 ppm1      4.089 ppm2      1.896 CV     1
 ASSI { 2996}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
      2.300     0.600     0.600 peak  2996 spectrum    1 weight  0.10000E+01 volume  0.68794E-02 ppm1      4.681 ppm2      2.133 CV     1
 ASSI { 2997}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.500     0.800     0.800 peak  2997 spectrum    1 weight  0.10000E+01 volume  0.40578E-02 ppm1      4.089 ppm2      1.614 CV     1
 ASSI { 2998}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG1 ))
      2.700     0.900     0.900 peak  2998 spectrum    1 weight  0.10000E+01 volume  0.34919E-02 ppm1      4.090 ppm2      1.361 CV     1
 ASSI { 2999}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.600     0.800     0.800 peak  2999 spectrum    1 weight  0.10000E+01 volume  0.34674E-02 ppm1      4.029 ppm2      1.688 CV     1
 ASSI { 3001}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
      3.400     1.400     1.400 peak  3001 spectrum    1 weight  0.10000E+01 volume  0.20331E-02 ppm1      4.089 ppm2      0.986 CV     1
 ASSI { 3004}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.000     1.100     1.100 peak  3004 spectrum    1 weight  0.10000E+01 volume  0.28197E-02 ppm1      4.236 ppm2      1.737 CV     1
 ASSI { 3012}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.900     0.900 peak  3012 spectrum    1 weight  0.10000E+01 volume  0.31780E-02 ppm1      3.521 ppm2      8.834 CV     1
 ASSI { 3013}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      2.800     1.000     1.000 peak  3013 spectrum    1 weight  0.10000E+01 volume  0.24101E-02 ppm1      3.607 ppm2      8.998 CV     1
 ASSI { 3015}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HN  ))
      2.500     0.800     0.800 peak  3015 spectrum    1 weight  0.10000E+01 volume  0.31792E-02 ppm1      4.088 ppm2      8.962 CV     1
 ASSI { 3016}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 42   and name HN  ))
      2.500     0.800     0.800 peak  3016 spectrum    1 weight  0.10000E+01 volume  0.38845E-02 ppm1      4.259 ppm2      8.922 CV     1
 ASSI { 3017}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      2.700     0.900     0.900 peak  3017 spectrum    1 weight  0.10000E+01 volume  0.41858E-02 ppm1      4.381 ppm2      8.039 CV     1
 ASSI { 3018}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      3.600     1.600     1.600 peak  3018 spectrum    1 weight  0.10000E+01 volume  0.89760E-03 ppm1      3.520 ppm2      7.976 CV     1
 ASSI { 3021}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      3.700     1.700     1.700 peak  3021 spectrum    1 weight  0.10000E+01 volume  0.94557E-03 ppm1      3.517 ppm2      7.210 CV     1
 ASSI { 3022}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 73   and name HN  ))
      3.600     1.700     1.700 peak  3022 spectrum    1 weight  0.10000E+01 volume  0.69641E-03 ppm1      3.605 ppm2      7.835 CV     1
 ASSI { 3023}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 52   and name HN  ))
      4.800     2.900     1.200 peak  3023 spectrum    1 weight  0.10000E+01 volume  0.28793E-03 ppm1      4.085 ppm2      8.419 CV     1
 ASSI { 3024}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
      3.900     1.900     1.900 peak  3024 spectrum    1 weight  0.10000E+01 volume  0.53540E-03 ppm1      4.087 ppm2      8.123 CV     1
 ASSI { 3025}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 54   and name HN  ))
      3.300     1.400     1.400 peak  3025 spectrum    1 weight  0.10000E+01 volume  0.98053E-03 ppm1      4.086 ppm2      8.030 CV     1
 ASSI { 3026}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.300     0.600     0.600 peak  3026 spectrum    1 weight  0.10000E+01 volume  0.28878E-02 ppm1      4.088 ppm2      7.528 CV     1
 ASSI { 3027}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.500     1.500     1.500 peak  3027 spectrum    1 weight  0.10000E+01 volume  0.70948E-03 ppm1      4.259 ppm2      8.225 CV     1
 ASSI { 3028}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 43   and name HN  ))
      3.200     1.300     1.300 peak  3028 spectrum    1 weight  0.10000E+01 volume  0.13816E-02 ppm1      4.258 ppm2      7.784 CV     1
 ASSI { 3031}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB1 ))
      2.300     0.600     0.600 peak  3031 spectrum    1 weight  0.10000E+01 volume  0.43390E-02 ppm1      4.088 ppm2      2.504 CV     1
 ASSI { 3032}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG2 ))
      2.300     0.700     0.700 peak  3032 spectrum    1 weight  0.10000E+01 volume  0.58709E-02 ppm1      4.088 ppm2      2.330 CV     1
 OR { 3032}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 3033}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 41   and name HB1 ))
      4.600     2.600     1.400 peak  3033 spectrum    1 weight  0.10000E+01 volume  0.37073E-03 ppm1      4.257 ppm2      3.295 CV     1
 ASSI { 3035}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HD2 ))
      4.700     2.700     1.300 peak  3035 spectrum    1 weight  0.10000E+01 volume  0.60770E-03 ppm1      3.608 ppm2      3.016 CV     1
 ASSI { 3039}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.600     0.800     0.800 peak  3039 spectrum    1 weight  0.10000E+01 volume  0.22138E-02 ppm1      4.262 ppm2      1.622 CV     1
 ASSI { 3040}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      3.000     1.100     1.100 peak  3040 spectrum    1 weight  0.10000E+01 volume  0.30107E-02 ppm1      4.256 ppm2      1.503 CV     1
 ASSI { 3046}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.500     0.800     0.800 peak  3046 spectrum    1 weight  0.10000E+01 volume  0.30009E-02 ppm1      3.606 ppm2      2.190 CV     1
 ASSI { 3048}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.000     1.100     1.100 peak  3048 spectrum    1 weight  0.10000E+01 volume  0.25218E-02 ppm1      3.605 ppm2      1.861 CV     1
 ASSI { 3051}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.300     0.700     0.700 peak  3051 spectrum    1 weight  0.10000E+01 volume  0.64679E-02 ppm1      3.519 ppm2      2.035 CV     1
 OR { 3051}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 3056}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      3.600     1.600     1.600 peak  3056 spectrum    1 weight  0.10000E+01 volume  0.97847E-03 ppm1      3.521 ppm2      0.794 CV     1
 ASSI { 3057}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HG  ))
      3.600     1.600     1.600 peak  3057 spectrum    1 weight  0.10000E+01 volume  0.56618E-03 ppm1      3.607 ppm2      1.198 CV     1
 ASSI { 3059}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.400     2.400     1.600 peak  3059 spectrum    1 weight  0.10000E+01 volume  0.11481E-02 ppm1      3.605 ppm2      1.031 CV     1
 ASSI { 3061}
   (( segid "    " and resid 72   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      3.100     1.200     1.200 peak  3061 spectrum    1 weight  0.10000E+01 volume  0.15485E-02 ppm1      3.604 ppm2      0.783 CV     1
 ASSI { 3063}
   (( segid "    " and resid 53   and name HA  ))
   (  segid "    " and resid 78   and name HD1%)
      4.900     3.000     1.100 peak  3063 spectrum    1 weight  0.10000E+01 volume  0.94888E-03 ppm1      4.089 ppm2      0.809 CV     1
 ASSI { 3064}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD2%)
      3.800     1.800     1.800 peak  3064 spectrum    1 weight  0.10000E+01 volume  0.15339E-02 ppm1      4.260 ppm2      0.353 CV     1
 ASSI { 3065}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 45   and name HD1%)
      3.600     1.600     1.600 peak  3065 spectrum    1 weight  0.10000E+01 volume  0.10786E-02 ppm1      4.259 ppm2      0.229 CV     1
 ASSI { 3070}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      4.300     2.300     1.700 peak  3070 spectrum    1 weight  0.10000E+01 volume  0.26260E-03 ppm1      3.522 ppm2      7.712 CV     1
 ASSI { 3071}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      4.000     2.000     2.000 peak  3071 spectrum    1 weight  0.10000E+01 volume  0.40653E-03 ppm1      3.610 ppm2      7.709 CV     1
 ASSI { 3088}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.900     1.000     1.000 peak  3088 spectrum    1 weight  0.10000E+01 volume  0.26745E-02 ppm1      4.511 ppm2      8.243 CV     1
 ASSI { 3091}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 68   and name HN  ))
      2.600     0.900     0.900 peak  3091 spectrum    1 weight  0.10000E+01 volume  0.25752E-02 ppm1      4.438 ppm2      7.326 CV     1
 ASSI { 3093}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HN  ))
      2.000     0.500     0.500 peak  3093 spectrum    1 weight  0.10000E+01 volume  0.14584E-01 ppm1      4.386 ppm2      8.145 CV     1
 ASSI { 3095}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.300     0.700     0.700 peak  3095 spectrum    1 weight  0.10000E+01 volume  0.93664E-02 ppm1      4.511 ppm2      8.489 CV     1
 ASSI { 3096}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HN  ))
      2.100     0.500     0.500 peak  3096 spectrum    1 weight  0.10000E+01 volume  0.10764E-01 ppm1      4.438 ppm2      9.097 CV     1
 ASSI { 3098}
   (( segid "    " and resid 21   and name HA  ))
   (( segid "    " and resid 21   and name HB  ))
      2.400     0.700     0.700 peak  3098 spectrum    1 weight  0.10000E+01 volume  0.72838E-02 ppm1      4.511 ppm2      4.381 CV     1
 ASSI { 3099}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 69   and name HB1 ))
      5.000     3.100     1.000 peak  3099 spectrum    1 weight  0.10000E+01 volume  0.11729E-02 ppm1      4.438 ppm2      3.013 CV     1
 ASSI { 3105}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.400     1.500     1.500 peak  3105 spectrum    1 weight  0.10000E+01 volume  0.12300E-02 ppm1      4.439 ppm2      2.277 CV     1
 ASSI { 3108}
   (( segid "    " and resid 21   and name HA  ))
   (  segid "    " and resid 21   and name HG2%)
      2.700     0.900     0.900 peak  3108 spectrum    1 weight  0.10000E+01 volume  0.64741E-02 ppm1      4.511 ppm2      1.241 CV     1
 ASSI { 3114}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 62   and name HN  ))
      2.100     0.600     0.600 peak  3114 spectrum    1 weight  0.10000E+01 volume  0.12198E-01 ppm1      4.527 ppm2      8.823 CV     1
 ASSI { 3115}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak  3115 spectrum    1 weight  0.10000E+01 volume  0.16171E-02 ppm1      4.370 ppm2      8.457 CV     1
 ASSI { 3116}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.300     0.600     0.600 peak  3116 spectrum    1 weight  0.10000E+01 volume  0.10837E-01 ppm1      4.327 ppm2      8.604 CV     1
 ASSI { 3117}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HN  ))
      2.500     0.800     0.800 peak  3117 spectrum    1 weight  0.10000E+01 volume  0.57010E-02 ppm1      4.106 ppm2      8.042 CV     1
 OR { 3117}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HN  ))
 ASSI { 3120}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 53   and name HN  ))
      4.900     3.000     1.100 peak  3120 spectrum    1 weight  0.10000E+01 volume  0.38585E-03 ppm1      4.111 ppm2      8.972 CV     1
 OR { 3120}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HN  ))
 ASSI { 3123}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak  3123 spectrum    1 weight  0.10000E+01 volume  0.28467E-02 ppm1      4.326 ppm2      8.131 CV     1
 ASSI { 3124}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 35   and name HD% )
      2.300     0.700     0.700 peak  3124 spectrum    1 weight  0.10000E+01 volume  0.52259E-02 ppm1      4.369 ppm2      7.114 CV     1
 ASSI { 3126}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 54   and name HA  ))
      2.200     0.600     0.600 peak  3126 spectrum    1 weight  0.10000E+01 volume  0.15506E-01 ppm1      4.102 ppm2      4.380 CV     1
 OR { 3126}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 54   and name HA  ))
 ASSI { 3127}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB1 ))
      2.400     0.700     0.700 peak  3127 spectrum    1 weight  0.10000E+01 volume  0.30153E-02 ppm1      4.372 ppm2      3.581 CV     1
 ASSI { 3130}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.900     1.100     1.100 peak  3130 spectrum    1 weight  0.10000E+01 volume  0.24367E-02 ppm1      4.368 ppm2      3.087 CV     1
 ASSI { 3131}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      4.700     2.700     1.300 peak  3131 spectrum    1 weight  0.10000E+01 volume  0.46559E-03 ppm1      4.332 ppm2      2.881 CV     1
 ASSI { 3133}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
      5.000     3.100     1.000 peak  3133 spectrum    1 weight  0.10000E+01 volume  0.34743E-03 ppm1      4.330 ppm2      2.761 CV     1
 ASSI { 3136}
   (( segid "    " and resid 61   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.800     1.000     1.000 peak  3136 spectrum    1 weight  0.10000E+01 volume  0.43976E-02 ppm1      4.527 ppm2      2.079 CV     1
 ASSI { 3138}
   (( segid "    " and resid 54   and name HB1 ))
   (( segid "    " and resid 53   and name HB2 ))
      4.700     2.700     1.300 peak  3138 spectrum    1 weight  0.10000E+01 volume  0.35854E-03 ppm1      4.112 ppm2      2.363 CV     1
 OR { 3138}
   (( segid "    " and resid 54   and name HB2 ))
   (( segid "    " and resid 53   and name HB2 ))
 ASSI { 3142}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG12))
      2.100     0.500     0.500 peak  3142 spectrum    1 weight  0.10000E+01 volume  0.38989E-02 ppm1      4.369 ppm2      1.538 CV     1
 ASSI { 3143}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HG  ))
      3.900     1.900     1.900 peak  3143 spectrum    1 weight  0.10000E+01 volume  0.13954E-02 ppm1      4.387 ppm2      1.708 CV     1
 ASSI { 3144}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      4.800     2.900     1.200 peak  3144 spectrum    1 weight  0.10000E+01 volume  0.12513E-02 ppm1      4.389 ppm2      1.608 CV     1
 ASSI { 3145}
   (( segid "    " and resid 35   and name HA  ))
   (( segid "    " and resid 38   and name HG11))
      3.000     1.100     1.100 peak  3145 spectrum    1 weight  0.10000E+01 volume  0.27267E-02 ppm1      4.372 ppm2      1.825 CV     1
 ASSI { 3146}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 3    and name HG2%)
      2.600     0.800     0.800 peak  3146 spectrum    1 weight  0.10000E+01 volume  0.51526E-02 ppm1      4.386 ppm2      1.378 CV     1
 ASSI { 3150}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 38   and name HG2%)
      4.200     2.200     1.800 peak  3150 spectrum    1 weight  0.10000E+01 volume  0.10893E-02 ppm1      4.372 ppm2      1.060 CV     1
 ASSI { 3156}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HN  ))
      2.800     1.000     1.000 peak  3156 spectrum    1 weight  0.10000E+01 volume  0.27486E-02 ppm1      4.032 ppm2      8.231 CV     1
 ASSI { 3157}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
      3.000     1.100     1.100 peak  3157 spectrum    1 weight  0.10000E+01 volume  0.24997E-02 ppm1      3.972 ppm2      8.231 CV     1
 ASSI { 3158}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HN  ))
      2.600     0.900     0.900 peak  3158 spectrum    1 weight  0.10000E+01 volume  0.33675E-02 ppm1      3.796 ppm2      8.482 CV     1
 ASSI { 3159}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HN  ))
      2.800     1.000     1.000 peak  3159 spectrum    1 weight  0.10000E+01 volume  0.33618E-02 ppm1      3.750 ppm2      8.484 CV     1
 ASSI { 3160}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 65   and name HN  ))
      3.300     1.300     1.300 peak  3160 spectrum    1 weight  0.10000E+01 volume  0.15799E-02 ppm1      3.828 ppm2      8.218 CV     1
 ASSI { 3163}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 28   and name HN  ))
      3.300     1.400     1.400 peak  3163 spectrum    1 weight  0.10000E+01 volume  0.12589E-02 ppm1      3.972 ppm2      8.559 CV     1
 ASSI { 3164}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak  3164 spectrum    1 weight  0.10000E+01 volume  0.37639E-02 ppm1      3.740 ppm2      8.272 CV     1
 ASSI { 3165}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HN  ))
      4.300     2.300     1.700 peak  3165 spectrum    1 weight  0.10000E+01 volume  0.87787E-03 ppm1      3.799 ppm2      8.174 CV     1
 ASSI { 3166}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HN  ))
      4.200     2.200     1.800 peak  3166 spectrum    1 weight  0.10000E+01 volume  0.92399E-03 ppm1      3.750 ppm2      8.171 CV     1
 ASSI { 3167}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 66   and name HN  ))
      4.000     2.000     2.000 peak  3167 spectrum    1 weight  0.10000E+01 volume  0.45934E-03 ppm1      3.830 ppm2      8.038 CV     1
 ASSI { 3169}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HN  ))
      2.600     0.800     0.800 peak  3169 spectrum    1 weight  0.10000E+01 volume  0.36818E-02 ppm1      3.827 ppm2      7.400 CV     1
 ASSI { 3170}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 81   and name HN  ))
      3.100     1.200     1.200 peak  3170 spectrum    1 weight  0.10000E+01 volume  0.12007E-02 ppm1      3.738 ppm2      7.582 CV     1
 ASSI { 3171}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 40   and name HE% )
      4.400     2.400     1.600 peak  3171 spectrum    1 weight  0.10000E+01 volume  0.36598E-03 ppm1      4.054 ppm2      6.751 CV     1
 ASSI { 3174}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 59   and name HA  ))
      2.700     0.900     0.900 peak  3174 spectrum    1 weight  0.10000E+01 volume  0.37343E-02 ppm1      3.796 ppm2      4.835 CV     1
 ASSI { 3175}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 59   and name HA  ))
      2.500     0.800     0.800 peak  3175 spectrum    1 weight  0.10000E+01 volume  0.38304E-02 ppm1      3.749 ppm2      4.835 CV     1
 ASSI { 3179}
   (( segid "    " and resid 27   and name HB1 ))
   (( segid "    " and resid 27   and name HA  ))
      2.300     0.700     0.700 peak  3179 spectrum    1 weight  0.10000E+01 volume  0.86295E-02 ppm1      4.031 ppm2      4.301 CV     1
 ASSI { 3180}
   (( segid "    " and resid 27   and name HB2 ))
   (( segid "    " and resid 27   and name HA  ))
      2.300     0.700     0.700 peak  3180 spectrum    1 weight  0.10000E+01 volume  0.91759E-02 ppm1      3.973 ppm2      4.301 CV     1
 ASSI { 3183}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HB2 ))
      5.000     3.100     1.000 peak  3183 spectrum    1 weight  0.10000E+01 volume  0.46052E-03 ppm1      4.138 ppm2      2.214 CV     1
 ASSI { 3185}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
      2.700     0.900     0.900 peak  3185 spectrum    1 weight  0.10000E+01 volume  0.35183E-02 ppm1      3.828 ppm2      2.208 CV     1
 ASSI { 3187}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB2 ))
      3.400     1.400     1.400 peak  3187 spectrum    1 weight  0.10000E+01 volume  0.14676E-02 ppm1      3.827 ppm2      1.856 CV     1
 ASSI { 3188}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.900     1.900     1.900 peak  3188 spectrum    1 weight  0.10000E+01 volume  0.17305E-02 ppm1      3.827 ppm2      1.750 CV     1
 OR { 3188}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 3191}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG11))
      3.300     1.300     1.300 peak  3191 spectrum    1 weight  0.10000E+01 volume  0.28676E-02 ppm1      3.739 ppm2      1.728 CV     1
 ASSI { 3193}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 47   and name HB1 ))
      4.100     2.100     1.900 peak  3193 spectrum    1 weight  0.10000E+01 volume  0.27394E-03 ppm1      4.137 ppm2      2.348 CV     1
 ASSI { 3194}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HB1 ))
      4.100     2.100     1.900 peak  3194 spectrum    1 weight  0.10000E+01 volume  0.46975E-03 ppm1      4.058 ppm2      2.341 CV     1
 ASSI { 3203}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HG12))
      2.800     1.000     1.000 peak  3203 spectrum    1 weight  0.10000E+01 volume  0.36356E-02 ppm1      3.739 ppm2      1.283 CV     1
 ASSI { 3206}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 14   and name HD1%)
      5.200     3.400     0.800 peak  3206 spectrum    1 weight  0.10000E+01 volume  0.19118E-03 ppm1      4.051 ppm2      0.755 CV     1
 ASSI { 3219}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 40   and name HE% )
      4.000     2.000     2.000 peak  3219 spectrum    1 weight  0.10000E+01 volume  0.31656E-03 ppm1      4.142 ppm2      6.747 CV     1
 ASSI { 3224}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HN  ))
      3.400     1.400     1.400 peak  3224 spectrum    1 weight  0.10000E+01 volume  0.71309E-03 ppm1      4.227 ppm2      9.000 CV     1
 ASSI { 3226}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.900     0.900 peak  3226 spectrum    1 weight  0.10000E+01 volume  0.37803E-02 ppm1      3.937 ppm2      8.452 CV     1
 ASSI { 3230}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 43   and name HN  ))
      3.700     1.700     1.700 peak  3230 spectrum    1 weight  0.10000E+01 volume  0.69507E-03 ppm1      4.186 ppm2      7.785 CV     1
 ASSI { 3231}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HN  ))
      3.100     1.200     1.200 peak  3231 spectrum    1 weight  0.10000E+01 volume  0.15354E-02 ppm1      4.225 ppm2      7.714 CV     1
 ASSI { 3233}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      4.100     2.100     1.900 peak  3233 spectrum    1 weight  0.10000E+01 volume  0.52497E-03 ppm1      4.226 ppm2      8.729 CV     1
 ASSI { 3234}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 43   and name HN  ))
      3.400     1.500     1.500 peak  3234 spectrum    1 weight  0.10000E+01 volume  0.68490E-03 ppm1      4.342 ppm2      7.780 CV     1
 ASSI { 3238}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 35   and name HZ  ))
      2.000     0.500     0.500 peak  3238 spectrum    1 weight  0.10000E+01 volume  0.61400E-02 ppm1      4.226 ppm2      6.886 CV     1
 ASSI { 3244}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 31   and name HA  ))
      4.600     2.600     1.400 peak  3244 spectrum    1 weight  0.10000E+01 volume  0.62510E-03 ppm1      4.221 ppm2      3.307 CV     1
 ASSI { 3245}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HD2 ))
      3.600     1.600     1.600 peak  3245 spectrum    1 weight  0.10000E+01 volume  0.86564E-03 ppm1      4.224 ppm2      2.807 CV     1
 ASSI { 3247}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
      2.100     0.600     0.600 peak  3247 spectrum    1 weight  0.10000E+01 volume  0.51142E-02 ppm1      4.226 ppm2      2.248 CV     1
 ASSI { 3248}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.900     1.100     1.100 peak  3248 spectrum    1 weight  0.10000E+01 volume  0.25474E-02 ppm1      4.225 ppm2      2.008 CV     1
 ASSI { 3255}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.900     1.000     1.000 peak  3255 spectrum    1 weight  0.10000E+01 volume  0.23052E-02 ppm1      4.226 ppm2      1.693 CV     1
 ASSI { 3257}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 71   and name HG2 ))
      3.500     1.600     1.600 peak  3257 spectrum    1 weight  0.10000E+01 volume  0.19640E-02 ppm1      4.225 ppm2      1.316 CV     1
 ASSI { 3265}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      4.600     2.600     1.400 peak  3265 spectrum    1 weight  0.10000E+01 volume  0.52218E-03 ppm1      4.227 ppm2      0.455 CV     1
 ASSI { 3266}
   (( segid "    " and resid 15   and name HA  ))
   (  segid "    " and resid 26   and name HD2%)
      3.500     1.500     1.500 peak  3266 spectrum    1 weight  0.10000E+01 volume  0.88495E-03 ppm1      3.938 ppm2      0.794 CV     1
 ASSI { 3268}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 41   and name HB1 ))
      4.600     2.700     1.400 peak  3268 spectrum    1 weight  0.10000E+01 volume  0.38237E-03 ppm1      4.345 ppm2      3.290 CV     1
 ASSI { 3270}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 65   and name HB% )
      4.900     3.100     1.100 peak  3270 spectrum    1 weight  0.10000E+01 volume  0.31031E-03 ppm1      4.347 ppm2      1.383 CV     1
 ASSI { 3276}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      3.600     1.600     1.600 peak  3276 spectrum    1 weight  0.10000E+01 volume  0.71635E-03 ppm1      3.864 ppm2      8.248 CV     1
 ASSI { 3277}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HN  ))
      3.400     1.500     1.500 peak  3277 spectrum    1 weight  0.10000E+01 volume  0.93907E-03 ppm1      3.863 ppm2      8.070 CV     1
 ASSI { 3279}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.800     1.800     1.800 peak  3279 spectrum    1 weight  0.10000E+01 volume  0.72559E-03 ppm1      3.863 ppm2      7.331 CV     1
 ASSI { 3280}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 30   and name HE% )
      4.700     2.800     1.300 peak  3280 spectrum    1 weight  0.10000E+01 volume  0.36804E-03 ppm1      3.863 ppm2      7.210 CV     1
 ASSI { 3286}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.600     0.900     0.900 peak  3286 spectrum    1 weight  0.10000E+01 volume  0.24580E-02 ppm1      3.864 ppm2      2.332 CV     1
 ASSI { 3288}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      5.000     3.100     1.000 peak  3288 spectrum    1 weight  0.10000E+01 volume  0.26903E-03 ppm1      3.858 ppm2      1.895 CV     1
 ASSI { 3292}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.600     1.600     1.600 peak  3292 spectrum    1 weight  0.10000E+01 volume  0.99231E-03 ppm1      3.862 ppm2      1.124 CV     1
 ASSI { 3293}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
      3.000     1.100     1.100 peak  3293 spectrum    1 weight  0.10000E+01 volume  0.17977E-02 ppm1      3.864 ppm2      0.872 CV     1
 ASSI { 3296}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD1%)
      3.400     1.400     1.400 peak  3296 spectrum    1 weight  0.10000E+01 volume  0.11967E-02 ppm1      3.862 ppm2      0.453 CV     1
 ASSI { 3298}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 49   and name HN  ))
      2.500     0.800     0.800 peak  3298 spectrum    1 weight  0.10000E+01 volume  0.28787E-02 ppm1      4.411 ppm2      8.758 CV     1
 ASSI { 3299}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 49   and name HN  ))
      3.700     1.800     1.800 peak  3299 spectrum    1 weight  0.10000E+01 volume  0.70054E-03 ppm1      3.955 ppm2      8.754 CV     1
 ASSI { 3303}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      3.200     1.300     1.300 peak  3303 spectrum    1 weight  0.10000E+01 volume  0.11836E-02 ppm1      3.955 ppm2      8.118 CV     1
 ASSI { 3305}
   (( segid "    " and resid 7    and name HB  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak  3305 spectrum    1 weight  0.10000E+01 volume  0.26809E-02 ppm1      4.315 ppm2      8.247 CV     1
 ASSI { 3313}
   (( segid "    " and resid 48   and name HB  ))
   (( segid "    " and resid 45   and name HA  ))
      3.600     1.600     1.600 peak  3313 spectrum    1 weight  0.10000E+01 volume  0.13574E-02 ppm1      4.412 ppm2      3.884 CV     1
 ASSI { 3316}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HD1 ))
      4.500     2.500     1.500 peak  3316 spectrum    1 weight  0.10000E+01 volume  0.25448E-03 ppm1      3.961 ppm2      3.442 CV     1
 ASSI { 3317}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HD2 ))
      4.100     2.100     1.900 peak  3317 spectrum    1 weight  0.10000E+01 volume  0.40709E-03 ppm1      3.959 ppm2      3.294 CV     1
 ASSI { 3325}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 48   and name HG2%)
      2.300     0.700     0.700 peak  3325 spectrum    1 weight  0.10000E+01 volume  0.47266E-02 ppm1      4.411 ppm2      1.124 CV     1
 ASSI { 3326}
   (( segid "    " and resid 48   and name HB  ))
   (  segid "    " and resid 49   and name HB% )
      4.600     2.700     1.400 peak  3326 spectrum    1 weight  0.10000E+01 volume  0.43923E-03 ppm1      4.411 ppm2      1.521 CV     1
 ASSI { 3329}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      2.500     0.800     0.800 peak  3329 spectrum    1 weight  0.10000E+01 volume  0.48271E-02 ppm1      3.955 ppm2      1.123 CV     1
 ASSI { 3344}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 25   and name HN  ))
      3.600     1.600     1.600 peak  3344 spectrum    1 weight  0.10000E+01 volume  0.18367E-02 ppm1      4.223 ppm2      8.606 CV     1
 ASSI { 3345}
   (( segid "    " and resid 24   and name HB  ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak  3345 spectrum    1 weight  0.10000E+01 volume  0.33924E-02 ppm1      4.223 ppm2      8.131 CV     1
 ASSI { 3348}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 3    and name HG2%)
      2.400     0.700     0.700 peak  3348 spectrum    1 weight  0.10000E+01 volume  0.69486E-02 ppm1      4.181 ppm2      1.378 CV     1
 ASSI { 3349}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 24   and name HG2%)
      2.300     0.600     0.600 peak  3349 spectrum    1 weight  0.10000E+01 volume  0.92843E-02 ppm1      4.223 ppm2      1.275 CV     1
 ASSI { 3351}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 38   and name HG2%)
      4.100     2.100     1.900 peak  3351 spectrum    1 weight  0.10000E+01 volume  0.67116E-03 ppm1      4.225 ppm2      1.067 CV     1
 ASSI { 3354}
   (( segid "    " and resid 24   and name HB  ))
   (  segid "    " and resid 26   and name HD1%)
      4.600     2.600     1.400 peak  3354 spectrum    1 weight  0.10000E+01 volume  0.51086E-03 ppm1      4.222 ppm2      0.688 CV     1
 ASSI { 3356}
   (( segid "    " and resid 21   and name HB  ))
   (( segid "    " and resid 22   and name HN  ))
      3.200     1.300     1.300 peak  3356 spectrum    1 weight  0.10000E+01 volume  0.39196E-02 ppm1      4.369 ppm2      8.489 CV     1
 ASSI { 3366}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 72   and name HN  ))
      2.700     0.900     0.900 peak  3366 spectrum    1 weight  0.10000E+01 volume  0.21774E-02 ppm1      4.621 ppm2      9.000 CV     1
 ASSI { 3369}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.200     1.300     1.300 peak  3369 spectrum    1 weight  0.10000E+01 volume  0.33458E-02 ppm1      4.623 ppm2      4.031 CV     1
 ASSI { 3370}
   (( segid "    " and resid 70   and name HB  ))
   (( segid "    " and resid 71   and name HD2 ))
      2.700     0.900     0.900 peak  3370 spectrum    1 weight  0.10000E+01 volume  0.21526E-02 ppm1      4.624 ppm2      2.817 CV     1
 ASSI { 3373}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HA  ))
      3.700     1.700     1.700 peak  3373 spectrum    1 weight  0.10000E+01 volume  0.36965E-03 ppm1      7.344 ppm2      3.521 CV     1
 ASSI { 3388}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 71   and name HG2 ))
      5.900     4.300     0.100 peak  3388 spectrum    1 weight  0.10000E+01 volume  0.21150E-03 ppm1      6.884 ppm2      1.307 CV     1
 ASSI { 3389}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.400     1.400     1.400 peak  3389 spectrum    1 weight  0.10000E+01 volume  0.25120E-03 ppm1      6.884 ppm2      1.691 CV     1
 ASSI { 3396}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 68   and name HG2%)
      6.000     4.500     0.000 peak  3396 spectrum    1 weight  0.10000E+01 volume  0.30335E-04 ppm1      6.884 ppm2      1.196 CV     1
 ASSI { 3398}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 45   and name HD2%)
      6.000     4.700     0.000 peak  3398 spectrum    1 weight  0.10000E+01 volume  0.19751E-04 ppm1      6.878 ppm2      0.353 CV     1
 ASSI { 3399}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 31   and name HD1%)
      4.600     2.700     1.400 peak  3399 spectrum    1 weight  0.10000E+01 volume  0.20253E-03 ppm1      7.333 ppm2      0.463 CV     1
 ASSI { 3409}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HN  ))
      3.800     1.800     1.800 peak  3409 spectrum    1 weight  0.10000E+01 volume  0.54278E-03 ppm1      7.339 ppm2      8.833 CV     1
 ASSI { 3410}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 31   and name HD1%)
      3.700     1.700     1.700 peak  3410 spectrum    1 weight  0.10000E+01 volume  0.95513E-03 ppm1      7.208 ppm2      0.457 CV     1
 ASSI { 3423}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HB2 ))
      5.400     3.600     0.600 peak  3423 spectrum    1 weight  0.10000E+01 volume  0.20161E-03 ppm1      7.211 ppm2      3.013 CV     1
 ASSI { 3428}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 45   and name HD2%)
      4.600     2.600     1.400 peak  3428 spectrum    1 weight  0.10000E+01 volume  0.41089E-03 ppm1      6.967 ppm2      0.355 CV     1
 ASSI { 3431}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 45   and name HD2%)
      3.600     1.600     1.600 peak  3431 spectrum    1 weight  0.10000E+01 volume  0.57196E-03 ppm1      6.924 ppm2      0.353 CV     1
 ASSI { 3432}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
      3.700     1.700     1.700 peak  3432 spectrum    1 weight  0.10000E+01 volume  0.63460E-03 ppm1      7.113 ppm2      0.234 CV     1
 OR { 3432}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 45   and name HD1%)
 ASSI { 3436}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
      3.700     1.700     1.700 peak  3436 spectrum    1 weight  0.10000E+01 volume  0.10497E-02 ppm1      6.967 ppm2      0.766 CV     1
 ASSI { 3443}
   (  segid "    " and resid 35   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
      4.400     2.400     1.600 peak  3443 spectrum    1 weight  0.10000E+01 volume  0.32071E-03 ppm1      7.115 ppm2      0.761 CV     1
 ASSI { 3447}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HG2 ))
      4.400     2.400     1.600 peak  3447 spectrum    1 weight  0.10000E+01 volume  0.68376E-03 ppm1      6.924 ppm2      1.318 CV     1
 ASSI { 3448}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 45   and name HG  ))
      3.400     1.500     1.500 peak  3448 spectrum    1 weight  0.10000E+01 volume  0.31813E-03 ppm1      7.113 ppm2      1.324 CV     1
 ASSI { 3452}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG11))
      2.300     0.600     0.600 peak  3452 spectrum    1 weight  0.10000E+01 volume  0.22890E-02 ppm1      6.967 ppm2      1.826 CV     1
 ASSI { 3457}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HB2 ))
      3.900     1.900     1.900 peak  3457 spectrum    1 weight  0.10000E+01 volume  0.64250E-03 ppm1      6.926 ppm2      1.697 CV     1
 ASSI { 3465}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 40   and name HB2 ))
      2.600     0.800     0.800 peak  3465 spectrum    1 weight  0.10000E+01 volume  0.35502E-02 ppm1      6.967 ppm2      2.786 CV     1
 ASSI { 3468}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HB2 ))
      4.800     2.800     1.200 peak  3468 spectrum    1 weight  0.10000E+01 volume  0.40006E-03 ppm1      6.926 ppm2      3.087 CV     1
 ASSI { 3470}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 35   and name HB1 ))
      4.700     2.700     1.300 peak  3470 spectrum    1 weight  0.10000E+01 volume  0.41347E-03 ppm1      6.964 ppm2      3.582 CV     1
 ASSI { 3472}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HB1 ))
      4.700     2.800     1.300 peak  3472 spectrum    1 weight  0.10000E+01 volume  0.38401E-03 ppm1      6.922 ppm2      3.585 CV     1
 ASSI { 3476}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 71   and name HA  ))
      4.700     2.800     1.300 peak  3476 spectrum    1 weight  0.10000E+01 volume  0.37952E-03 ppm1      7.113 ppm2      4.227 CV     1
 ASSI { 3480}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 71   and name HA  ))
      3.400     1.500     1.500 peak  3480 spectrum    1 weight  0.10000E+01 volume  0.14157E-02 ppm1      6.922 ppm2      4.228 CV     1
 ASSI { 3484}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 70   and name HN  ))
      4.900     3.000     1.100 peak  3484 spectrum    1 weight  0.10000E+01 volume  0.12794E-03 ppm1      7.120 ppm2      7.475 CV     1
 ASSI { 3486}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 70   and name HN  ))
      4.000     2.000     2.000 peak  3486 spectrum    1 weight  0.10000E+01 volume  0.23341E-03 ppm1      6.925 ppm2      7.485 CV     1
 ASSI { 3490}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 41   and name HN  ))
      4.600     2.600     1.400 peak  3490 spectrum    1 weight  0.10000E+01 volume  0.50362E-03 ppm1      6.965 ppm2      7.963 CV     1
 ASSI { 3498}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HG1 ))
      3.300     1.400     1.400 peak  3498 spectrum    1 weight  0.10000E+01 volume  0.24086E-02 ppm1      7.303 ppm2      2.182 CV     1
 ASSI { 3499}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 71   and name HB2 ))
      3.800     1.800     1.800 peak  3499 spectrum    1 weight  0.10000E+01 volume  0.11030E-02 ppm1      7.302 ppm2      2.014 CV     1
 ASSI { 3512}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HB1 ))
      3.200     1.200     1.200 peak  3512 spectrum    1 weight  0.10000E+01 volume  0.82469E-03 ppm1      7.439 ppm2      1.898 CV     1
 ASSI { 3518}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD1%)
      3.200     1.300     1.300 peak  3518 spectrum    1 weight  0.10000E+01 volume  0.11015E-02 ppm1      7.439 ppm2      0.630 CV     1
 OR { 3518}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD1%)
 OR { 3518}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD2%)
 OR { 3518}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 3526}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 26   and name HA  ))
      4.000     2.000     2.000 peak  3526 spectrum    1 weight  0.10000E+01 volume  0.44770E-03 ppm1      7.305 ppm2      4.350 CV     1
 ASSI { 3527}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 29   and name HA  ))
      3.900     1.900     1.900 peak  3527 spectrum    1 weight  0.10000E+01 volume  0.53158E-03 ppm1      7.302 ppm2      4.851 CV     1
 ASSI { 3528}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HA  ))
      4.300     2.300     1.700 peak  3528 spectrum    1 weight  0.10000E+01 volume  0.63765E-03 ppm1      7.303 ppm2      4.733 CV     1
 ASSI { 3531}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 56   and name HN  ))
      2.800     1.000     1.000 peak  3531 spectrum    1 weight  0.10000E+01 volume  0.24557E-02 ppm1      7.438 ppm2      8.118 CV     1
 ASSI { 3537}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      3.100     1.200     1.200 peak  3537 spectrum    1 weight  0.10000E+01 volume  0.29989E-02 ppm1      6.750 ppm2      0.767 CV     1
 OR { 3537}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
 ASSI { 3538}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD2%)
      2.600     0.800     0.800 peak  3538 spectrum    1 weight  0.10000E+01 volume  0.33360E-02 ppm1      6.807 ppm2      0.628 CV     1
 OR { 3538}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD2%)
 OR { 3538}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD1%)
 OR { 3538}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 5    and name HD1%)
 ASSI { 3539}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 52   and name HD2%)
      2.100     0.500     0.500 peak  3539 spectrum    1 weight  0.10000E+01 volume  0.82701E-02 ppm1      6.808 ppm2      1.028 CV     1
 ASSI { 3546}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HG1 ))
      3.300     1.300     1.300 peak  3546 spectrum    1 weight  0.10000E+01 volume  0.16666E-02 ppm1      6.807 ppm2      1.372 CV     1
 ASSI { 3548}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HB1 ))
      3.400     1.500     1.500 peak  3548 spectrum    1 weight  0.10000E+01 volume  0.70752E-03 ppm1      6.749 ppm2      1.982 CV     1
 ASSI { 3549}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB1 ))
      3.700     1.700     1.700 peak  3549 spectrum    1 weight  0.10000E+01 volume  0.56654E-03 ppm1      6.808 ppm2      1.896 CV     1
 ASSI { 3550}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HG11))
      3.600     1.600     1.600 peak  3550 spectrum    1 weight  0.10000E+01 volume  0.81085E-03 ppm1      6.749 ppm2      1.826 CV     1
 ASSI { 3554}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HB1 ))
      4.100     2.100     1.900 peak  3554 spectrum    1 weight  0.10000E+01 volume  0.82174E-03 ppm1      6.748 ppm2      3.013 CV     1
 ASSI { 3555}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HB2 ))
      4.100     2.100     1.900 peak  3555 spectrum    1 weight  0.10000E+01 volume  0.96432E-03 ppm1      6.807 ppm2      2.781 CV     1
 ASSI { 3556}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HB2 ))
      4.100     2.100     1.900 peak  3556 spectrum    1 weight  0.10000E+01 volume  0.81446E-03 ppm1      6.750 ppm2      2.787 CV     1
 ASSI { 3561}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 52   and name HA  ))
      3.500     1.500     1.500 peak  3561 spectrum    1 weight  0.10000E+01 volume  0.14140E-02 ppm1      6.808 ppm2      4.306 CV     1
 ASSI { 3567}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HA  ))
      3.000     3.000     3.000 peak  3567 spectrum    1 weight  0.10000E+01 volume  0.64617E-03 ppm1      6.806 ppm2      4.676 CV     1
 ASSI { 3576}
   (( segid "    " and resid 47   and name HB2 ))
   (( segid "    " and resid 17   and name HB2 ))
      5.400     3.700     0.600 peak  3576 spectrum    1 weight  0.10000E+01 volume  0.36089E-03 ppm1      2.204 ppm2      4.054 CV     1
 ASSI { 3577}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 74   and name HD2%)
      2.300     0.700     0.700 peak  3577 spectrum    1 weight  0.10000E+01 volume  0.64606E-02 ppm1      0.794 ppm2      1.056 CV     1
 OR { 3577}
   (  segid "    " and resid 78   and name HD1%)
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 3578}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HB2 ))
      2.600     0.900     0.900 peak  3578 spectrum    1 weight  0.10000E+01 volume  0.22413E-02 ppm1      0.793 ppm2      1.452 CV     1
 ASSI { 3579}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HG  ))
      2.600     0.800     0.800 peak  3579 spectrum    1 weight  0.10000E+01 volume  0.34180E-02 ppm1      0.979 ppm2      1.845 CV     1
 ASSI {    2}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.300     0.600     0.600 peak     2 spectrum    1 weight  0.10000E+01 volume  0.62339E-02 ppm1      8.227 ppm2      8.490 CV     1
 ASSI {    6}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.400     0.700     0.700 peak     6 spectrum    1 weight  0.10000E+01 volume  0.64596E-02 ppm1      8.227 ppm2      2.327 CV     1
 OR {    6}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {   11}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.800     0.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.33693E-02 ppm1      8.225 ppm2      8.756 CV     1
 ASSI {   14}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      3.300     1.400     1.400 peak    14 spectrum    1 weight  0.10000E+01 volume  0.46852E-02 ppm1      8.272 ppm2      1.726 CV     1
 ASSI {   16}
   (( segid "    " and resid 72   and name HH22))
   (  segid "    " and resid 31   and name HD2%)
      2.800     2.800     3.200 peak    16 spectrum    1 weight  0.10000E+01 volume  0.99489E-03 ppm1      6.890 ppm2      0.776 CV     1
 OR {   16}
   (( segid "    " and resid 72   and name HH11))
   (  segid "    " and resid 31   and name HD2%)
 OR {   16}
   (( segid "    " and resid 72   and name HH21))
   (  segid "    " and resid 31   and name HD2%)
 OR {   16}
   (( segid "    " and resid 72   and name HH12))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {   20}
   (( segid "    " and resid 72   and name HH22))
   (( segid "    " and resid 31   and name HB1 ))
      2.900     2.900     3.100 peak    20 spectrum    1 weight  0.10000E+01 volume  0.79215E-03 ppm1      6.888 ppm2      1.633 CV     1
 OR {   20}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 31   and name HB1 ))
 OR {   20}
   (( segid "    " and resid 72   and name HH21))
   (( segid "    " and resid 31   and name HB1 ))
 OR {   20}
   (( segid "    " and resid 72   and name HH12))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {   21}
   (( segid "    " and resid 72   and name HH11))
   (( segid "    " and resid 72   and name HG2 ))
      4.300     2.300     1.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.73628E-03 ppm1      6.893 ppm2      1.508 CV     1
 ASSI {   27}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HB2 ))
      3.400     1.400     1.400 peak    27 spectrum    1 weight  0.10000E+01 volume  0.99592E-03 ppm1      7.472 ppm2      2.872 CV     1
 ASSI {   31}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
      3.600     1.600     1.600 peak    31 spectrum    1 weight  0.10000E+01 volume  0.12592E-02 ppm1      7.474 ppm2      4.439 CV     1
 ASSI {   34}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.200     1.300     1.300 peak    34 spectrum    1 weight  0.10000E+01 volume  0.81033E-03 ppm1      7.476 ppm2      4.951 CV     1
 ASSI {   35}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      2.400     0.700     0.700 peak    35 spectrum    1 weight  0.10000E+01 volume  0.56731E-02 ppm1      7.474 ppm2      9.095 CV     1
 ASSI {   46}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 8    and name HA  ))
      4.300     2.300     1.700 peak    46 spectrum    1 weight  0.10000E+01 volume  0.45779E-03 ppm1      7.323 ppm2      4.618 CV     1
 ASSI {   47}
   (( segid "    " and resid 72   and name HE  ))
   (  segid "    " and resid 31   and name HD2%)
      4.400     2.400     1.600 peak    47 spectrum    1 weight  0.10000E+01 volume  0.32293E-03 ppm1      9.070 ppm2      0.780 CV     1
 ASSI {   48}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.500     2.500     1.500 peak    48 spectrum    1 weight  0.10000E+01 volume  0.47470E-03 ppm1      9.072 ppm2      1.027 CV     1
 ASSI {   76}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      2.700     0.900     0.900 peak    76 spectrum    1 weight  0.10000E+01 volume  0.30859E-02 ppm1      8.035 ppm2      1.390 CV     1
 ASSI {   78}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      5.400     3.700     0.600 peak    78 spectrum    1 weight  0.10000E+01 volume  0.40141E-03 ppm1      8.033 ppm2      1.748 CV     1
 OR {   78}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {   89}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HA  ))
      3.000     1.100     1.100 peak    89 spectrum    1 weight  0.10000E+01 volume  0.20369E-02 ppm1      8.035 ppm2      3.986 CV     1
 ASSI {   92}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.500     1.600     1.600 peak    92 spectrum    1 weight  0.10000E+01 volume  0.72208E-03 ppm1      8.036 ppm2      4.523 CV     1
 ASSI {   94}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.500     0.800     0.800 peak    94 spectrum    1 weight  0.10000E+01 volume  0.36573E-02 ppm1      8.035 ppm2      7.494 CV     1
 ASSI {   95}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 64   and name HN  ))
      3.500     1.500     1.500 peak    95 spectrum    1 weight  0.10000E+01 volume  0.68898E-03 ppm1      8.035 ppm2      7.397 CV     1
 ASSI {   96}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 68   and name HN  ))
      4.400     2.400     1.600 peak    96 spectrum    1 weight  0.10000E+01 volume  0.59711E-03 ppm1      8.036 ppm2      7.317 CV     1
 ASSI {   97}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.500     0.800     0.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.34684E-02 ppm1      8.035 ppm2      8.217 CV     1
 ASSI {   99}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.600     2.600     1.400 peak    99 spectrum    1 weight  0.10000E+01 volume  0.52032E-03 ppm1      7.713 ppm2      3.004 CV     1
 ASSI {  101}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      4.000     2.000     2.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.72812E-03 ppm1      7.713 ppm2      2.456 CV     1
 ASSI {  102}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.800     1.800     1.800 peak   102 spectrum    1 weight  0.10000E+01 volume  0.69233E-03 ppm1      7.714 ppm2      1.826 CV     1
 ASSI {  103}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      4.200     2.200     1.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.64772E-03 ppm1      7.714 ppm2      1.541 CV     1
 ASSI {  104}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.100     1.200     1.200 peak   104 spectrum    1 weight  0.10000E+01 volume  0.65314E-03 ppm1      7.713 ppm2      1.054 CV     1
 ASSI {  105}
   (( segid "    " and resid 39   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      5.500     3.800     0.500 peak   105 spectrum    1 weight  0.10000E+01 volume  0.31359E-03 ppm1      7.714 ppm2      0.874 CV     1
 ASSI {  108}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      3.000     1.100     1.100 peak   108 spectrum    1 weight  0.10000E+01 volume  0.16937E-02 ppm1      7.713 ppm2      4.661 CV     1
 ASSI {  112}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 40   and name HN  ))
      2.400     0.700     0.700 peak   112 spectrum    1 weight  0.10000E+01 volume  0.48685E-02 ppm1      7.714 ppm2      8.058 CV     1
 ASSI {  114}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
      3.600     1.600     1.600 peak   114 spectrum    1 weight  0.10000E+01 volume  0.20819E-02 ppm1      8.242 ppm2      8.485 CV     1
 ASSI {  117}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
      2.300     0.600     0.600 peak   117 spectrum    1 weight  0.10000E+01 volume  0.10514E-01 ppm1      8.243 ppm2      4.057 CV     1
 OR {  117}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
 ASSI {  118}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.800     1.000     1.000 peak   118 spectrum    1 weight  0.10000E+01 volume  0.44638E-02 ppm1      8.242 ppm2      4.366 CV     1
 ASSI {  119}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.600     1.700     1.700 peak   119 spectrum    1 weight  0.10000E+01 volume  0.85639E-03 ppm1      8.242 ppm2      3.949 CV     1
 ASSI {  120}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      4.100     2.100     1.900 peak   120 spectrum    1 weight  0.10000E+01 volume  0.40065E-03 ppm1      8.242 ppm2      4.560 CV     1
 ASSI {  122}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.500     1.500     1.500 peak   122 spectrum    1 weight  0.10000E+01 volume  0.27929E-03 ppm1      8.244 ppm2      1.033 CV     1
 ASSI {  123}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HN  ))
      3.000     1.100     1.100 peak   123 spectrum    1 weight  0.10000E+01 volume  0.76158E-03 ppm1      7.670 ppm2      9.424 CV     1
 ASSI {  127}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 4    and name HD2%)
      4.100     2.100     1.900 peak   127 spectrum    1 weight  0.10000E+01 volume  0.55022E-03 ppm1      7.669 ppm2      0.961 CV     1
 ASSI {  130}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 75   and name HG  ))
      2.900     1.000     1.000 peak   130 spectrum    1 weight  0.10000E+01 volume  0.14868E-02 ppm1      7.669 ppm2      1.690 CV     1
 ASSI {  132}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB2 ))
      4.500     2.600     1.500 peak   132 spectrum    1 weight  0.10000E+01 volume  0.54377E-03 ppm1      7.669 ppm2      1.475 CV     1
 ASSI {  133}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HB2 ))
      2.900     1.100     1.100 peak   133 spectrum    1 weight  0.10000E+01 volume  0.53932E-03 ppm1      7.672 ppm2      1.364 CV     1
 ASSI {  137}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HB2 ))
      3.900     1.900     1.900 peak   137 spectrum    1 weight  0.10000E+01 volume  0.95678E-03 ppm1      7.330 ppm2      1.357 CV     1
 ASSI {  139}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 76   and name HA  ))
      3.400     3.400     2.600 peak   139 spectrum    1 weight  0.10000E+01 volume  0.35664E-03 ppm1      7.671 ppm2      4.493 CV     1
 ASSI {  142}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HA  ))
      4.500     2.600     1.500 peak   142 spectrum    1 weight  0.10000E+01 volume  0.26375E-03 ppm1      7.327 ppm2      4.353 CV     1
 ASSI {  145}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.300     1.300     1.300 peak   145 spectrum    1 weight  0.10000E+01 volume  0.15930E-02 ppm1      8.491 ppm2      2.833 CV     1
 OR {  145}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  147}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 54   and name HA  ))
      3.700     1.700     1.700 peak   147 spectrum    1 weight  0.10000E+01 volume  0.58492E-03 ppm1      7.963 ppm2      4.379 CV     1
 ASSI {  150}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
      2.300     0.700     0.700 peak   150 spectrum    1 weight  0.10000E+01 volume  0.10202E-01 ppm1      8.492 ppm2      4.072 CV     1
 OR {  150}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
 ASSI {  151}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.700     0.900     0.900 peak   151 spectrum    1 weight  0.10000E+01 volume  0.38708E-02 ppm1      8.491 ppm2      4.721 CV     1
 ASSI {  153}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.800     1.000     1.000 peak   153 spectrum    1 weight  0.10000E+01 volume  0.27304E-02 ppm1      8.491 ppm2      8.135 CV     1
 ASSI {  154}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      2.300     0.700     0.700 peak   154 spectrum    1 weight  0.10000E+01 volume  0.40595E-02 ppm1      7.963 ppm2      8.119 CV     1
 ASSI {  155}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.600     0.800     0.800 peak   155 spectrum    1 weight  0.10000E+01 volume  0.41417E-02 ppm1      8.417 ppm2      7.584 CV     1
 ASSI {  156}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HN  ))
      2.600     0.900     0.900 peak   156 spectrum    1 weight  0.10000E+01 volume  0.30613E-02 ppm1      8.417 ppm2      8.876 CV     1
 ASSI {  157}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.500     1.500     1.500 peak   157 spectrum    1 weight  0.10000E+01 volume  0.86471E-03 ppm1      8.417 ppm2      4.904 CV     1
 ASSI {  159}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 77   and name HA  ))
      3.200     1.300     1.300 peak   159 spectrum    1 weight  0.10000E+01 volume  0.11381E-02 ppm1      8.417 ppm2      4.269 CV     1
 ASSI {  161}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.900     1.900     1.900 peak   161 spectrum    1 weight  0.10000E+01 volume  0.40088E-03 ppm1      8.416 ppm2      3.738 CV     1
 ASSI {  162}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.900     1.900     1.900 peak   162 spectrum    1 weight  0.10000E+01 volume  0.13132E-02 ppm1      8.417 ppm2      3.092 CV     1
 ASSI {  163}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      3.000     1.200     1.200 peak   163 spectrum    1 weight  0.10000E+01 volume  0.11115E-02 ppm1      8.417 ppm2      2.766 CV     1
 ASSI {  164}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      4.600     2.600     1.400 peak   164 spectrum    1 weight  0.10000E+01 volume  0.43167E-03 ppm1      8.416 ppm2      1.930 CV     1
 ASSI {  167}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      4.200     2.200     1.800 peak   167 spectrum    1 weight  0.10000E+01 volume  0.46991E-03 ppm1      8.416 ppm2      0.875 CV     1
 ASSI {  168}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HA  ))
      2.400     0.700     0.700 peak   168 spectrum    1 weight  0.10000E+01 volume  0.61064E-02 ppm1      8.560 ppm2      4.285 CV     1
 ASSI {  169}
   (( segid "    " and resid 28   and name HN  ))
   (( segid "    " and resid 27   and name HB1 ))
      3.400     1.500     1.500 peak   169 spectrum    1 weight  0.10000E+01 volume  0.13430E-02 ppm1      8.559 ppm2      4.032 CV     1
 ASSI {  173}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.100     1.200     1.200 peak   173 spectrum    1 weight  0.10000E+01 volume  0.17445E-02 ppm1      8.049 ppm2      5.044 CV     1
 ASSI {  174}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.600     0.900     0.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.24514E-02 ppm1      8.047 ppm2      7.509 CV     1
 ASSI {  176}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      3.200     1.300     1.300 peak   176 spectrum    1 weight  0.10000E+01 volume  0.20373E-02 ppm1      8.048 ppm2      3.030 CV     1
 ASSI {  177}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 32   and name HB2 ))
      2.700     0.900     0.900 peak   177 spectrum    1 weight  0.10000E+01 volume  0.34121E-02 ppm1      8.047 ppm2      2.357 CV     1
 ASSI {  178}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      4.100     2.100     1.900 peak   178 spectrum    1 weight  0.10000E+01 volume  0.94650E-03 ppm1      8.047 ppm2      1.774 CV     1
 OR {  178}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  181}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      5.200     3.400     0.800 peak   181 spectrum    1 weight  0.10000E+01 volume  0.42929E-03 ppm1      8.048 ppm2      0.951 CV     1
 ASSI {  183}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      4.700     2.800     1.300 peak   183 spectrum    1 weight  0.10000E+01 volume  0.43723E-03 ppm1      8.049 ppm2      0.452 CV     1
 ASSI {  186}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
      2.700     0.900     0.900 peak   186 spectrum    1 weight  0.10000E+01 volume  0.24330E-02 ppm1      7.530 ppm2      4.682 CV     1
 ASSI {  190}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      4.600     2.700     1.400 peak   190 spectrum    1 weight  0.10000E+01 volume  0.34363E-03 ppm1      7.531 ppm2      2.498 CV     1
 ASSI {  191}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.700     2.800     1.300 peak   191 spectrum    1 weight  0.10000E+01 volume  0.40160E-03 ppm1      7.527 ppm2      2.314 CV     1
 ASSI {  194}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
      3.800     1.800     1.800 peak   194 spectrum    1 weight  0.10000E+01 volume  0.80785E-03 ppm1      7.530 ppm2      8.128 CV     1
 ASSI {  195}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HN  ))
      2.500     0.800     0.800 peak   195 spectrum    1 weight  0.10000E+01 volume  0.31366E-02 ppm1      7.529 ppm2      7.960 CV     1
 ASSI {  196}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.400     2.400     1.600 peak   196 spectrum    1 weight  0.10000E+01 volume  0.61126E-03 ppm1      7.532 ppm2      8.483 CV     1
 ASSI {  199}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HB  ))
      3.600     1.600     1.600 peak   199 spectrum    1 weight  0.10000E+01 volume  0.13813E-02 ppm1      7.712 ppm2      2.454 CV     1
 ASSI {  200}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      3.000     1.100     1.100 peak   200 spectrum    1 weight  0.10000E+01 volume  0.27543E-02 ppm1      7.712 ppm2      1.825 CV     1
 ASSI {  201}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HG12))
      2.100     0.500     0.500 peak   201 spectrum    1 weight  0.10000E+01 volume  0.35604E-02 ppm1      7.713 ppm2      1.539 CV     1
 ASSI {  202}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      2.800     1.000     1.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.24514E-02 ppm1      7.712 ppm2      1.054 CV     1
 ASSI {  203}
   (( segid "    " and resid 38   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      4.400     2.400     1.600 peak   203 spectrum    1 weight  0.10000E+01 volume  0.11872E-02 ppm1      7.712 ppm2      0.873 CV     1
 ASSI {  204}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      4.300     2.300     1.700 peak   204 spectrum    1 weight  0.10000E+01 volume  0.64705E-03 ppm1      8.036 ppm2      1.637 CV     1
 ASSI {  205}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.200     2.200     1.800 peak   205 spectrum    1 weight  0.10000E+01 volume  0.95373E-03 ppm1      8.035 ppm2      2.759 CV     1
 ASSI {  206}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.500     1.500     1.500 peak   206 spectrum    1 weight  0.10000E+01 volume  0.19124E-02 ppm1      8.035 ppm2      2.503 CV     1
 ASSI {  207}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.500     0.800     0.800 peak   207 spectrum    1 weight  0.10000E+01 volume  0.27156E-02 ppm1      8.035 ppm2      2.350 CV     1
 ASSI {  209}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      5.000     3.100     1.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.34264E-03 ppm1      8.034 ppm2      1.892 CV     1
 ASSI {  213}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.600     1.600     1.600 peak   213 spectrum    1 weight  0.10000E+01 volume  0.72404E-03 ppm1      7.713 ppm2      4.812 CV     1
 ASSI {  214}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 38   and name HA  ))
      2.800     1.000     1.000 peak   214 spectrum    1 weight  0.10000E+01 volume  0.21980E-02 ppm1      7.713 ppm2      4.660 CV     1
 ASSI {  218}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HN  ))
      2.600     0.800     0.800 peak   218 spectrum    1 weight  0.10000E+01 volume  0.35736E-02 ppm1      8.035 ppm2      8.962 CV     1
 ASSI {  219}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.300     0.700     0.700 peak   219 spectrum    1 weight  0.10000E+01 volume  0.48868E-02 ppm1      7.713 ppm2      7.552 CV     1
 ASSI {  224}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      3.000     1.100     1.100 peak   224 spectrum    1 weight  0.10000E+01 volume  0.79205E-03 ppm1      8.123 ppm2      1.891 CV     1
 ASSI {  225}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      3.900     1.900     1.900 peak   225 spectrum    1 weight  0.10000E+01 volume  0.14554E-02 ppm1      8.122 ppm2      1.615 CV     1
 ASSI {  229}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.000     1.100     1.100 peak   229 spectrum    1 weight  0.10000E+01 volume  0.19057E-02 ppm1      8.124 ppm2      4.677 CV     1
 ASSI {  236}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.900     1.000     1.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.26419E-02 ppm1      7.816 ppm2      4.562 CV     1
 ASSI {  238}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.400     1.400 peak   238 spectrum    1 weight  0.10000E+01 volume  0.14582E-02 ppm1      7.816 ppm2      4.209 CV     1
 ASSI {  239}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.100     1.200     1.200 peak   239 spectrum    1 weight  0.10000E+01 volume  0.19301E-02 ppm1      7.815 ppm2      4.141 CV     1
 ASSI {  240}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.900     1.100     1.100 peak   240 spectrum    1 weight  0.10000E+01 volume  0.16097E-02 ppm1      7.816 ppm2      4.050 CV     1
 ASSI {  242}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG1 ))
      5.600     4.000     0.400 peak   242 spectrum    1 weight  0.10000E+01 volume  0.26432E-03 ppm1      7.813 ppm2      2.615 CV     1
 ASSI {  243}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HG2 ))
      4.900     3.000     1.100 peak   243 spectrum    1 weight  0.10000E+01 volume  0.39486E-03 ppm1      7.816 ppm2      2.381 CV     1
 ASSI {  245}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.200     1.300     1.300 peak   245 spectrum    1 weight  0.10000E+01 volume  0.73478E-03 ppm1      7.815 ppm2      2.139 CV     1
 ASSI {  249}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.400     0.700     0.700 peak   249 spectrum    1 weight  0.10000E+01 volume  0.81668E-02 ppm1      8.244 ppm2      4.478 CV     1
 ASSI {  250}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB  ))
      3.100     1.200     1.200 peak   250 spectrum    1 weight  0.10000E+01 volume  0.19468E-02 ppm1      8.244 ppm2      4.369 CV     1
 ASSI {  253}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      3.200     1.300     1.300 peak   253 spectrum    1 weight  0.10000E+01 volume  0.13483E-02 ppm1      8.244 ppm2      2.234 CV     1
 ASSI {  254}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      4.000     2.000     2.000 peak   254 spectrum    1 weight  0.10000E+01 volume  0.84963E-03 ppm1      8.245 ppm2      2.069 CV     1
 ASSI {  263}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB2 ))
      3.000     1.100     1.100 peak   263 spectrum    1 weight  0.10000E+01 volume  0.39294E-02 ppm1      8.924 ppm2      4.347 CV     1
 ASSI {  265}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HB1 ))
      2.900     1.000     1.000 peak   265 spectrum    1 weight  0.10000E+01 volume  0.25535E-02 ppm1      8.924 ppm2      4.180 CV     1
 ASSI {  267}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 41   and name HN  ))
      3.400     1.400     1.400 peak   267 spectrum    1 weight  0.10000E+01 volume  0.56303E-03 ppm1      8.924 ppm2      7.975 CV     1
 ASSI {  268}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.600     0.800     0.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.24853E-02 ppm1      8.924 ppm2      7.787 CV     1
 ASSI {  271}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.400     1.500     1.500 peak   271 spectrum    1 weight  0.10000E+01 volume  0.55812E-03 ppm1      9.029 ppm2      4.767 CV     1
 ASSI {  273}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.700     1.700     1.700 peak   273 spectrum    1 weight  0.10000E+01 volume  0.26367E-02 ppm1      9.030 ppm2      3.031 CV     1
 ASSI {  275}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      2.700     0.900     0.900 peak   275 spectrum    1 weight  0.10000E+01 volume  0.21784E-02 ppm1      9.029 ppm2      1.573 CV     1
 OR {  275}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  280}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.900     1.900     1.900 peak   280 spectrum    1 weight  0.10000E+01 volume  0.70003E-03 ppm1      8.230 ppm2      1.452 CV     1
 ASSI {  281}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      4.700     2.700     1.300 peak   281 spectrum    1 weight  0.10000E+01 volume  0.36169E-03 ppm1      8.233 ppm2      1.236 CV     1
 ASSI {  282}
   (( segid "    " and resid 27   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      5.100     3.200     0.900 peak   282 spectrum    1 weight  0.10000E+01 volume  0.34200E-03 ppm1      8.232 ppm2      0.794 CV     1
 ASSI {  285}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      4.000     2.000     2.000 peak   285 spectrum    1 weight  0.10000E+01 volume  0.76602E-03 ppm1      8.231 ppm2      4.709 CV     1
 ASSI {  286}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HA  ))
      2.700     0.900     0.900 peak   286 spectrum    1 weight  0.10000E+01 volume  0.37612E-02 ppm1      8.230 ppm2      4.357 CV     1
 ASSI {  287}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.400     1.500     1.500 peak   287 spectrum    1 weight  0.10000E+01 volume  0.25957E-02 ppm1      8.230 ppm2      8.559 CV     1
 ASSI {  288}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 26   and name HN  ))
      2.600     0.800     0.800 peak   288 spectrum    1 weight  0.10000E+01 volume  0.41052E-02 ppm1      8.230 ppm2      8.463 CV     1
 ASSI {  290}
   (( segid "    " and resid 27   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      5.400     3.700     0.600 peak   290 spectrum    1 weight  0.10000E+01 volume  0.18511E-03 ppm1      8.231 ppm2      3.009 CV     1
 ASSI {  301}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HN  ))
      2.400     0.700     0.700 peak   301 spectrum    1 weight  0.10000E+01 volume  0.45572E-02 ppm1      7.327 ppm2      7.493 CV     1
 ASSI {  302}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 69   and name HN  ))
      4.800     2.800     1.200 peak   302 spectrum    1 weight  0.10000E+01 volume  0.33152E-03 ppm1      7.327 ppm2      9.091 CV     1
 ASSI {  305}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HA  ))
      3.200     1.300     1.300 peak   305 spectrum    1 weight  0.10000E+01 volume  0.17342E-02 ppm1      7.327 ppm2      4.617 CV     1
 ASSI {  307}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB2 ))
      4.400     2.400     1.600 peak   307 spectrum    1 weight  0.10000E+01 volume  0.70834E-03 ppm1      7.328 ppm2      1.852 CV     1
 ASSI {  308}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      4.100     2.100     1.900 peak   308 spectrum    1 weight  0.10000E+01 volume  0.44811E-03 ppm1      7.329 ppm2      1.754 CV     1
 OR {  308}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  310}
   (( segid "    " and resid 68   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.200     1.300     1.300 peak   310 spectrum    1 weight  0.10000E+01 volume  0.46989E-03 ppm1      7.327 ppm2      2.079 CV     1
 ASSI {  323}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      2.400     0.700     0.700 peak   323 spectrum    1 weight  0.10000E+01 volume  0.29372E-02 ppm1      7.974 ppm2      1.919 CV     1
 ASSI {  325}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HD2 ))
      5.300     3.500     0.700 peak   325 spectrum    1 weight  0.10000E+01 volume  0.31386E-03 ppm1      7.972 ppm2      3.313 CV     1
 ASSI {  326}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HD2 ))
      4.900     3.000     1.100 peak   326 spectrum    1 weight  0.10000E+01 volume  0.27421E-03 ppm1      7.973 ppm2      3.198 CV     1
 OR {  326}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {  327}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.100     2.100     1.900 peak   327 spectrum    1 weight  0.10000E+01 volume  0.29877E-03 ppm1      7.973 ppm2      2.706 CV     1
 OR {  327}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  329}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      4.100     2.100     1.900 peak   329 spectrum    1 weight  0.10000E+01 volume  0.60320E-03 ppm1      7.974 ppm2      4.619 CV     1
 ASSI {  330}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.400     1.400     1.400 peak   330 spectrum    1 weight  0.10000E+01 volume  0.94919E-03 ppm1      7.973 ppm2      4.547 CV     1
 ASSI {  332}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.400     0.700     0.700 peak   332 spectrum    1 weight  0.10000E+01 volume  0.43821E-02 ppm1      7.974 ppm2      7.704 CV     1
 ASSI {  335}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.24132E-02 ppm1      8.836 ppm2      8.246 CV     1
 ASSI {  336}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB  ))
      2.600     0.800     0.800 peak   336 spectrum    1 weight  0.10000E+01 volume  0.31411E-02 ppm1      8.835 ppm2      4.314 CV     1
 ASSI {  337}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak   337 spectrum    1 weight  0.10000E+01 volume  0.27895E-02 ppm1      8.835 ppm2      3.864 CV     1
 ASSI {  338}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.100     0.600     0.600 peak   338 spectrum    1 weight  0.10000E+01 volume  0.49999E-02 ppm1      8.836 ppm2      4.849 CV     1
 ASSI {  342}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      3.900     1.900     1.900 peak   342 spectrum    1 weight  0.10000E+01 volume  0.55709E-03 ppm1      8.835 ppm2      0.879 CV     1
 ASSI {  346}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      4.200     2.200     1.800 peak   346 spectrum    1 weight  0.10000E+01 volume  0.43585E-03 ppm1      8.133 ppm2      2.840 CV     1
 OR {  346}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  351}
   (( segid "    " and resid 24   and name HN  ))
   (  segid "    " and resid 24   and name HG2%)
      2.800     1.000     1.000 peak   351 spectrum    1 weight  0.10000E+01 volume  0.25393E-02 ppm1      8.132 ppm2      1.275 CV     1
 ASSI {  353}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.700     1.700     1.700 peak   353 spectrum    1 weight  0.10000E+01 volume  0.12895E-02 ppm1      8.132 ppm2      8.609 CV     1
 ASSI {  354}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD1 ))
      4.900     3.000     1.100 peak   354 spectrum    1 weight  0.10000E+01 volume  0.34812E-03 ppm1      8.459 ppm2      3.446 CV     1
 ASSI {  355}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HD2 ))
      5.200     3.300     0.800 peak   355 spectrum    1 weight  0.10000E+01 volume  0.38941E-03 ppm1      8.460 ppm2      3.349 CV     1
 ASSI {  356}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.300     1.400     1.400 peak   356 spectrum    1 weight  0.10000E+01 volume  0.60615E-03 ppm1      8.456 ppm2      3.093 CV     1
 ASSI {  358}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      3.900     1.900     1.900 peak   358 spectrum    1 weight  0.10000E+01 volume  0.10963E-02 ppm1      8.456 ppm2      2.176 CV     1
 ASSI {  359}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      2.700     0.900     0.900 peak   359 spectrum    1 weight  0.10000E+01 volume  0.20535E-02 ppm1      8.458 ppm2      1.939 CV     1
 ASSI {  360}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.600     0.800     0.800 peak   360 spectrum    1 weight  0.10000E+01 volume  0.23868E-02 ppm1      8.457 ppm2      1.851 CV     1
 ASSI {  361}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
      3.000     1.100     1.100 peak   361 spectrum    1 weight  0.10000E+01 volume  0.12040E-02 ppm1      8.459 ppm2      1.768 CV     1
 OR {  361}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
 ASSI {  362}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      4.000     2.000     2.000 peak   362 spectrum    1 weight  0.10000E+01 volume  0.96985E-03 ppm1      8.454 ppm2      1.620 CV     1
 ASSI {  363}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      3.400     1.400     1.400 peak   363 spectrum    1 weight  0.10000E+01 volume  0.17269E-02 ppm1      8.458 ppm2      1.407 CV     1
 ASSI {  367}
   (( segid "    " and resid 34   and name HN  ))
   (( segid "    " and resid 34   and name HA  ))
      3.400     1.400     1.400 peak   367 spectrum    1 weight  0.10000E+01 volume  0.67416E-03 ppm1      8.457 ppm2      4.728 CV     1
 ASSI {  370}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HG1 ))
      3.000     1.100     1.100 peak   370 spectrum    1 weight  0.10000E+01 volume  0.23946E-02 ppm1      7.837 ppm2      2.639 CV     1
 ASSI {  371}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB1 ))
      2.900     1.100     1.100 peak   371 spectrum    1 weight  0.10000E+01 volume  0.37101E-02 ppm1      7.837 ppm2      2.474 CV     1
 ASSI {  372}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      2.700     0.900     0.900 peak   372 spectrum    1 weight  0.10000E+01 volume  0.19831E-02 ppm1      7.837 ppm2      2.272 CV     1
 ASSI {  373}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.200     1.300     1.300 peak   373 spectrum    1 weight  0.10000E+01 volume  0.62267E-03 ppm1      7.836 ppm2      1.860 CV     1
 ASSI {  374}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      3.900     1.900     1.900 peak   374 spectrum    1 weight  0.10000E+01 volume  0.98549E-03 ppm1      7.835 ppm2      1.601 CV     1
 ASSI {  376}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
      2.900     1.100     1.100 peak   376 spectrum    1 weight  0.10000E+01 volume  0.21427E-02 ppm1      7.837 ppm2      4.238 CV     1
 ASSI {  378}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 72   and name HN  ))
      2.900     1.000     1.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.18125E-02 ppm1      7.837 ppm2      8.997 CV     1
 ASSI {  380}
   (( segid "    " and resid 73   and name HN  ))
   (( segid "    " and resid 70   and name HN  ))
      3.600     1.600     1.600 peak   380 spectrum    1 weight  0.10000E+01 volume  0.86140E-03 ppm1      7.834 ppm2      7.475 CV     1
 ASSI {  388}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
      4.800     2.900     1.200 peak   388 spectrum    1 weight  0.10000E+01 volume  0.40442E-03 ppm1      8.620 ppm2      2.196 CV     1
 ASSI {  389}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.100     1.200     1.200 peak   389 spectrum    1 weight  0.10000E+01 volume  0.12088E-02 ppm1      8.619 ppm2      2.063 CV     1
 ASSI {  390}
   (( segid "    " and resid 63   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      4.700     2.800     1.300 peak   390 spectrum    1 weight  0.10000E+01 volume  0.54387E-03 ppm1      8.617 ppm2      1.021 CV     1
 ASSI {  396}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HN  ))
      2.800     1.000     1.000 peak   396 spectrum    1 weight  0.10000E+01 volume  0.23574E-02 ppm1      8.618 ppm2      8.821 CV     1
 ASSI {  402}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HB1 ))
      2.700     0.900     0.900 peak   402 spectrum    1 weight  0.10000E+01 volume  0.19440E-02 ppm1      7.495 ppm2      2.075 CV     1
 ASSI {  404}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.600     1.600     1.600 peak   404 spectrum    1 weight  0.10000E+01 volume  0.28364E-02 ppm1      7.495 ppm2      1.752 CV     1
 OR {  404}
   (( segid "    " and resid 67   and name HN  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI {  405}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      3.800     1.800     1.800 peak   405 spectrum    1 weight  0.10000E+01 volume  0.98709E-03 ppm1      7.493 ppm2      1.207 CV     1
 ASSI {  406}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      4.500     2.500     1.500 peak   406 spectrum    1 weight  0.10000E+01 volume  0.62438E-03 ppm1      7.494 ppm2      1.125 CV     1
 ASSI {  407}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      5.000     3.100     1.000 peak   407 spectrum    1 weight  0.10000E+01 volume  0.27786E-03 ppm1      7.496 ppm2      1.391 CV     1
 ASSI {  411}
   (( segid "    " and resid 59   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.800     1.000     1.000 peak   411 spectrum    1 weight  0.10000E+01 volume  0.20570E-02 ppm1      8.482 ppm2      4.839 CV     1
 ASSI {  420}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HB2 ))
      2.400     0.700     0.700 peak   420 spectrum    1 weight  0.10000E+01 volume  0.46442E-02 ppm1      7.748 ppm2      2.123 CV     1
 ASSI {  421}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 84   and name HG1 ))
      3.500     1.500     1.500 peak   421 spectrum    1 weight  0.10000E+01 volume  0.12972E-02 ppm1      7.748 ppm2      2.537 CV     1
 ASSI {  428}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 83   and name HN  ))
      2.600     0.800     0.800 peak   428 spectrum    1 weight  0.10000E+01 volume  0.36861E-02 ppm1      7.747 ppm2      7.950 CV     1
 ASSI {  429}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HN  ))
      2.500     0.800     0.800 peak   429 spectrum    1 weight  0.10000E+01 volume  0.51893E-02 ppm1      7.748 ppm2      7.842 CV     1
 ASSI {  431}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.500     1.500     1.500 peak   431 spectrum    1 weight  0.10000E+01 volume  0.13884E-02 ppm1      9.556 ppm2      3.582 CV     1
 ASSI {  434}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
      2.700     0.900     0.900 peak   434 spectrum    1 weight  0.10000E+01 volume  0.32453E-02 ppm1      9.556 ppm2      2.495 CV     1
 OR {  434}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
 ASSI {  435}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      2.900     1.100     1.100 peak   435 spectrum    1 weight  0.10000E+01 volume  0.39576E-02 ppm1      9.556 ppm2      2.253 CV     1
 ASSI {  436}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      2.600     0.800     0.800 peak   436 spectrum    1 weight  0.10000E+01 volume  0.40445E-02 ppm1      9.556 ppm2      2.142 CV     1
 ASSI {  437}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      5.100     3.200     0.900 peak   437 spectrum    1 weight  0.10000E+01 volume  0.47311E-03 ppm1      9.557 ppm2      1.944 CV     1
 ASSI {  438}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.600     1.600     1.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.96122E-03 ppm1      9.556 ppm2      1.854 CV     1
 ASSI {  439}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      2.800     1.000     1.000 peak   439 spectrum    1 weight  0.10000E+01 volume  0.19216E-02 ppm1      9.556 ppm2      8.455 CV     1
 ASSI {  441}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HN  ))
      2.600     0.900     0.900 peak   441 spectrum    1 weight  0.10000E+01 volume  0.26701E-02 ppm1      9.556 ppm2      7.554 CV     1
 ASSI {  442}
   (( segid "    " and resid 36   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
      4.700     2.800     1.300 peak   442 spectrum    1 weight  0.10000E+01 volume  0.38784E-03 ppm1      9.557 ppm2      7.108 CV     1
 ASSI {  447}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.300     0.700     0.700 peak   447 spectrum    1 weight  0.10000E+01 volume  0.39838E-02 ppm1      8.876 ppm2      1.934 CV     1
 ASSI {  448}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG11))
      4.600     2.700     1.400 peak   448 spectrum    1 weight  0.10000E+01 volume  0.80021E-03 ppm1      8.875 ppm2      1.716 CV     1
 ASSI {  450}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.300     1.400     1.400 peak   450 spectrum    1 weight  0.10000E+01 volume  0.23490E-02 ppm1      8.876 ppm2      0.869 CV     1
 ASSI {  452}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HA  ))
      3.500     1.500     1.500 peak   452 spectrum    1 weight  0.10000E+01 volume  0.97077E-03 ppm1      8.876 ppm2      3.737 CV     1
 ASSI {  453}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB1 ))
      3.100     1.200     1.200 peak   453 spectrum    1 weight  0.10000E+01 volume  0.43145E-02 ppm1      8.876 ppm2      3.088 CV     1
 ASSI {  454}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      2.500     0.800     0.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.29572E-02 ppm1      8.876 ppm2      2.768 CV     1
 ASSI {  458}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HB2 ))
      2.800     1.000     1.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.14710E-02 ppm1      8.998 ppm2      2.008 CV     1
 ASSI {  459}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB1 ))
      2.600     0.800     0.800 peak   459 spectrum    1 weight  0.10000E+01 volume  0.27895E-02 ppm1      8.998 ppm2      1.861 CV     1
 ASSI {  462}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.700     0.900     0.900 peak   462 spectrum    1 weight  0.10000E+01 volume  0.36945E-02 ppm1      8.693 ppm2      2.774 CV     1
 ASSI {  463}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.400     0.700     0.700 peak   463 spectrum    1 weight  0.10000E+01 volume  0.34416E-02 ppm1      8.692 ppm2      2.190 CV     1
 ASSI {  465}
   (( segid "    " and resid 3    and name HN  ))
   (  segid "    " and resid 2    and name HB% )
      3.700     1.800     1.800 peak   465 spectrum    1 weight  0.10000E+01 volume  0.12430E-02 ppm1      8.673 ppm2      1.646 CV     1
 ASSI {  466}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HB2 ))
      3.600     1.700     1.700 peak   466 spectrum    1 weight  0.10000E+01 volume  0.18647E-02 ppm1      8.692 ppm2      1.545 CV     1
 ASSI {  467}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      2.800     1.000     1.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.30238E-02 ppm1      8.693 ppm2      4.483 CV     1
 ASSI {  468}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.500     1.500     1.500 peak   468 spectrum    1 weight  0.10000E+01 volume  0.71382E-03 ppm1      8.670 ppm2      4.384 CV     1
 ASSI {  469}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.800     1.000     1.000 peak   469 spectrum    1 weight  0.10000E+01 volume  0.23101E-02 ppm1      8.668 ppm2      4.277 CV     1
 ASSI {  470}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.200     1.300     1.300 peak   470 spectrum    1 weight  0.10000E+01 volume  0.14731E-02 ppm1      8.665 ppm2      4.180 CV     1
 ASSI {  474}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.600     1.600     1.600 peak   474 spectrum    1 weight  0.10000E+01 volume  0.60842E-03 ppm1      8.693 ppm2      3.888 CV     1
 ASSI {  475}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      2.600     0.900     0.900 peak   475 spectrum    1 weight  0.10000E+01 volume  0.26575E-02 ppm1      8.877 ppm2      4.905 CV     1
 ASSI {  476}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.200     1.300     1.300 peak   476 spectrum    1 weight  0.10000E+01 volume  0.12835E-02 ppm1      8.876 ppm2      4.485 CV     1
 ASSI {  477}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.500     0.800     0.800 peak   477 spectrum    1 weight  0.10000E+01 volume  0.31906E-02 ppm1      8.693 ppm2      8.002 CV     1
 ASSI {  479}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HN  ))
      2.500     0.800     0.800 peak   479 spectrum    1 weight  0.10000E+01 volume  0.43802E-02 ppm1      8.876 ppm2      8.272 CV     1
 ASSI {  482}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.700     1.700     1.700 peak   482 spectrum    1 weight  0.10000E+01 volume  0.64994E-03 ppm1      8.692 ppm2      3.609 CV     1
 ASSI {  487}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      4.400     2.400     1.600 peak   487 spectrum    1 weight  0.10000E+01 volume  0.48697E-03 ppm1      8.999 ppm2      0.777 CV     1
 ASSI {  488}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 78   and name HG12))
      4.600     2.700     1.400 peak   488 spectrum    1 weight  0.10000E+01 volume  0.39654E-03 ppm1      8.875 ppm2      1.282 CV     1
 ASSI {  490}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      2.600     0.800     0.800 peak   490 spectrum    1 weight  0.10000E+01 volume  0.35546E-02 ppm1      7.555 ppm2      3.089 CV     1
 ASSI {  492}
   (( segid "    " and resid 37   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      4.200     2.200     1.800 peak   492 spectrum    1 weight  0.10000E+01 volume  0.69053E-03 ppm1      7.556 ppm2      1.058 CV     1
 ASSI {  493}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG2 ))
      3.600     1.600     1.600 peak   493 spectrum    1 weight  0.10000E+01 volume  0.12741E-02 ppm1      7.555 ppm2      2.498 CV     1
 OR {  493}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI {  494}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB1 ))
      3.800     1.800     1.800 peak   494 spectrum    1 weight  0.10000E+01 volume  0.90065E-03 ppm1      7.555 ppm2      2.250 CV     1
 ASSI {  495}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HB2 ))
      3.000     1.100     1.100 peak   495 spectrum    1 weight  0.10000E+01 volume  0.16436E-02 ppm1      7.555 ppm2      2.154 CV     1
 ASSI {  496}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.600     2.600     1.400 peak   496 spectrum    1 weight  0.10000E+01 volume  0.53530E-03 ppm1      7.554 ppm2      1.941 CV     1
 ASSI {  499}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 37   and name HA  ))
      3.100     1.200     1.200 peak   499 spectrum    1 weight  0.10000E+01 volume  0.18026E-02 ppm1      7.555 ppm2      4.808 CV     1
 ASSI {  505}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG1 ))
      4.800     2.900     1.200 peak   505 spectrum    1 weight  0.10000E+01 volume  0.38382E-03 ppm1      8.321 ppm2      2.607 CV     1
 ASSI {  506}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HG2 ))
      4.300     2.300     1.700 peak   506 spectrum    1 weight  0.10000E+01 volume  0.54795E-03 ppm1      8.323 ppm2      2.452 CV     1
 ASSI {  508}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.600     1.600     1.600 peak   508 spectrum    1 weight  0.10000E+01 volume  0.19992E-02 ppm1      8.322 ppm2      2.200 CV     1
 ASSI {  509}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      2.800     1.000     1.000 peak   509 spectrum    1 weight  0.10000E+01 volume  0.25485E-02 ppm1      8.322 ppm2      3.957 CV     1
 ASSI {  510}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 48   and name HB  ))
      2.500     0.800     0.800 peak   510 spectrum    1 weight  0.10000E+01 volume  0.37186E-02 ppm1      8.321 ppm2      4.410 CV     1
 ASSI {  511}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 44   and name HA  ))
      3.700     1.700     1.700 peak   511 spectrum    1 weight  0.10000E+01 volume  0.98906E-03 ppm1      8.322 ppm2      4.307 CV     1
 ASSI {  512}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
      3.300     1.300     1.300 peak   512 spectrum    1 weight  0.10000E+01 volume  0.13384E-02 ppm1      8.321 ppm2      4.230 CV     1
 ASSI {  513}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HN  ))
      2.400     0.700     0.700 peak   513 spectrum    1 weight  0.10000E+01 volume  0.45250E-02 ppm1      8.322 ppm2      8.503 CV     1
 ASSI {  514}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 49   and name HN  ))
      2.600     0.900     0.900 peak   514 spectrum    1 weight  0.10000E+01 volume  0.37322E-02 ppm1      8.322 ppm2      8.755 CV     1
 ASSI {  516}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      2.700     0.900     0.900 peak   516 spectrum    1 weight  0.10000E+01 volume  0.15692E-02 ppm1      7.403 ppm2      2.060 CV     1
 ASSI {  519}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      2.500     0.800     0.800 peak   519 spectrum    1 weight  0.10000E+01 volume  0.22606E-02 ppm1      7.508 ppm2      1.027 CV     1
 ASSI {  525}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      4.100     2.100     1.900 peak   525 spectrum    1 weight  0.10000E+01 volume  0.10820E-02 ppm1      7.507 ppm2      4.842 CV     1
 ASSI {  527}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 65   and name HN  ))
      2.400     0.700     0.700 peak   527 spectrum    1 weight  0.10000E+01 volume  0.51810E-02 ppm1      7.403 ppm2      8.222 CV     1
 ASSI {  529}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HN  ))
      2.600     0.800     0.800 peak   529 spectrum    1 weight  0.10000E+01 volume  0.33458E-02 ppm1      7.403 ppm2      8.617 CV     1
 ASSI {  530}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      3.300     1.400     1.400 peak   530 spectrum    1 weight  0.10000E+01 volume  0.77506E-03 ppm1      7.402 ppm2      2.830 CV     1
 ASSI {  531}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      3.800     1.800     1.800 peak   531 spectrum    1 weight  0.10000E+01 volume  0.65190E-03 ppm1      7.405 ppm2      2.733 CV     1
 ASSI {  534}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.600     1.600     1.600 peak   534 spectrum    1 weight  0.10000E+01 volume  0.55983E-03 ppm1      7.508 ppm2      4.742 CV     1
 ASSI {  536}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak   536 spectrum    1 weight  0.10000E+01 volume  0.42666E-02 ppm1      8.397 ppm2      7.705 CV     1
 ASSI {  538}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.300     1.400     1.400 peak   538 spectrum    1 weight  0.10000E+01 volume  0.85138E-03 ppm1      8.397 ppm2      3.521 CV     1
 ASSI {  540}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.100     1.200     1.200 peak   540 spectrum    1 weight  0.10000E+01 volume  0.48038E-02 ppm1      8.397 ppm2      1.984 CV     1
 ASSI {  542}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
      2.600     0.800     0.800 peak   542 spectrum    1 weight  0.10000E+01 volume  0.35994E-02 ppm1      8.398 ppm2      1.668 CV     1
 ASSI {  546}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.300     0.700     0.700 peak   546 spectrum    1 weight  0.10000E+01 volume  0.39722E-02 ppm1      8.962 ppm2      2.760 CV     1
 ASSI {  547}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB1 ))
      3.500     1.500     1.500 peak   547 spectrum    1 weight  0.10000E+01 volume  0.28434E-02 ppm1      8.961 ppm2      2.505 CV     1
 ASSI {  548}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
      2.300     0.600     0.600 peak   548 spectrum    1 weight  0.10000E+01 volume  0.47259E-02 ppm1      8.961 ppm2      2.344 CV     1
 ASSI {  549}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.100     1.200     1.200 peak   549 spectrum    1 weight  0.10000E+01 volume  0.26341E-02 ppm1      8.961 ppm2      2.213 CV     1
 ASSI {  550}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      4.100     2.100     1.900 peak   550 spectrum    1 weight  0.10000E+01 volume  0.84663E-03 ppm1      8.962 ppm2      2.036 CV     1
 ASSI {  551}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HB2 ))
      2.900     1.000     1.000 peak   551 spectrum    1 weight  0.10000E+01 volume  0.12509E-02 ppm1      8.961 ppm2      1.444 CV     1
 ASSI {  554}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      3.800     1.800     1.800 peak   554 spectrum    1 weight  0.10000E+01 volume  0.61931E-03 ppm1      8.961 ppm2      3.950 CV     1
 ASSI {  556}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.300     0.700     0.700 peak   556 spectrum    1 weight  0.10000E+01 volume  0.40515E-02 ppm1      8.961 ppm2      8.414 CV     1
 ASSI {  564}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.600     0.900     0.900 peak   564 spectrum    1 weight  0.10000E+01 volume  0.39028E-02 ppm1      7.707 ppm2      2.021 CV     1
 OR {  564}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  568}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      2.500     0.800     0.800 peak   568 spectrum    1 weight  0.10000E+01 volume  0.46202E-02 ppm1      8.115 ppm2      2.197 CV     1
 ASSI {  573}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.500     0.800     0.800 peak   573 spectrum    1 weight  0.10000E+01 volume  0.27269E-02 ppm1      8.834 ppm2      2.330 CV     1
 ASSI {  574}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.200     0.600     0.600 peak   574 spectrum    1 weight  0.10000E+01 volume  0.77929E-02 ppm1      8.834 ppm2      2.043 CV     1
 OR {  574}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  575}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
      3.600     1.600     1.600 peak   575 spectrum    1 weight  0.10000E+01 volume  0.94495E-03 ppm1      8.834 ppm2      1.894 CV     1
 ASSI {  576}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.700     1.700     1.700 peak   576 spectrum    1 weight  0.10000E+01 volume  0.17039E-02 ppm1      8.835 ppm2      1.567 CV     1
 ASSI {  580}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.500     0.800     0.800 peak   580 spectrum    1 weight  0.10000E+01 volume  0.38566E-02 ppm1      8.834 ppm2      8.068 CV     1
 ASSI {  581}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak   581 spectrum    1 weight  0.10000E+01 volume  0.30290E-02 ppm1      8.835 ppm2      7.975 CV     1
 ASSI {  582}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 30   and name HE% )
      3.900     1.900     1.900 peak   582 spectrum    1 weight  0.10000E+01 volume  0.94764E-03 ppm1      8.834 ppm2      7.216 CV     1
 ASSI {  583}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.200     1.300     1.300 peak   583 spectrum    1 weight  0.10000E+01 volume  0.17302E-02 ppm1      8.834 ppm2      4.620 CV     1
 ASSI {  585}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.700     1.800     1.800 peak   585 spectrum    1 weight  0.10000E+01 volume  0.56323E-03 ppm1      8.833 ppm2      3.861 CV     1
 ASSI {  593}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HN  ))
      2.400     0.700     0.700 peak   593 spectrum    1 weight  0.10000E+01 volume  0.38071E-02 ppm1      8.115 ppm2      8.410 CV     1
 ASSI {  594}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
      2.800     1.000     1.000 peak   594 spectrum    1 weight  0.10000E+01 volume  0.21225E-02 ppm1      8.113 ppm2      8.225 CV     1
 ASSI {  608}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.100     1.200     1.200 peak   608 spectrum    1 weight  0.10000E+01 volume  0.25657E-02 ppm1      8.220 ppm2      3.939 CV     1
 ASSI {  609}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.400     1.500     1.500 peak   609 spectrum    1 weight  0.10000E+01 volume  0.91836E-03 ppm1      8.270 ppm2      3.893 CV     1
 ASSI {  612}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.500     0.800     0.800 peak   612 spectrum    1 weight  0.10000E+01 volume  0.45856E-02 ppm1      8.218 ppm2      4.207 CV     1
 ASSI {  618}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      3.400     1.500     1.500 peak   618 spectrum    1 weight  0.10000E+01 volume  0.13402E-02 ppm1      8.248 ppm2      4.848 CV     1
 ASSI {  619}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HN  ))
      2.400     0.700     0.700 peak   619 spectrum    1 weight  0.10000E+01 volume  0.45056E-02 ppm1      8.274 ppm2      7.585 CV     1
 ASSI {  621}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HN  ))
      2.300     0.600     0.600 peak   621 spectrum    1 weight  0.10000E+01 volume  0.48446E-02 ppm1      8.272 ppm2      7.994 CV     1
 ASSI {  624}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.500     1.500     1.500 peak   624 spectrum    1 weight  0.10000E+01 volume  0.10288E-02 ppm1      7.886 ppm2      4.617 CV     1
 ASSI {  626}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.200     1.300     1.300 peak   626 spectrum    1 weight  0.10000E+01 volume  0.34526E-02 ppm1      7.887 ppm2      3.034 CV     1
 ASSI {  638}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.200     1.300     1.300 peak   638 spectrum    1 weight  0.10000E+01 volume  0.20240E-02 ppm1      8.452 ppm2      1.985 CV     1
 ASSI {  639}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.800     1.000     1.000 peak   639 spectrum    1 weight  0.10000E+01 volume  0.15474E-02 ppm1      8.452 ppm2      1.435 CV     1
 ASSI {  654}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      2.600     0.900     0.900 peak   654 spectrum    1 weight  0.10000E+01 volume  0.49783E-02 ppm1      8.479 ppm2      4.058 CV     1
 OR {  654}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 ASSI {  662}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB1 ))
      2.300     0.700     0.700 peak   662 spectrum    1 weight  0.10000E+01 volume  0.41862E-02 ppm1      8.090 ppm2      1.896 CV     1
 ASSI {  663}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HB2 ))
      2.700     0.900     0.900 peak   663 spectrum    1 weight  0.10000E+01 volume  0.31777E-02 ppm1      8.088 ppm2      1.613 CV     1
 ASSI {  664}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG1 ))
      4.200     2.200     1.800 peak   664 spectrum    1 weight  0.10000E+01 volume  0.10954E-02 ppm1      8.088 ppm2      1.365 CV     1
 ASSI {  668}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 75   and name HN  ))
      2.500     0.800     0.800 peak   668 spectrum    1 weight  0.10000E+01 volume  0.37820E-02 ppm1      7.712 ppm2      8.725 CV     1
 ASSI {  669}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HN  ))
      2.600     0.800     0.800 peak   669 spectrum    1 weight  0.10000E+01 volume  0.29338E-02 ppm1      7.712 ppm2      7.834 CV     1
 ASSI {  671}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     0.900     0.900 peak   671 spectrum    1 weight  0.10000E+01 volume  0.25642E-02 ppm1      7.887 ppm2      8.245 CV     1
 ASSI {  672}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      3.200     1.300     1.300 peak   672 spectrum    1 weight  0.10000E+01 volume  0.10117E-02 ppm1      7.887 ppm2      9.031 CV     1
 ASSI {  679}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
      4.200     2.200     1.800 peak   679 spectrum    1 weight  0.10000E+01 volume  0.10855E-02 ppm1      7.713 ppm2      1.053 CV     1
 OR {  679}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI {  684}
   (( segid "    " and resid 69   and name HN  ))
   (  segid "    " and resid 68   and name HG2%)
      4.300     2.300     1.700 peak   684 spectrum    1 weight  0.10000E+01 volume  0.84049E-03 ppm1      9.094 ppm2      1.212 CV     1
 ASSI {  693}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 72   and name HA  ))
      3.300     1.400     1.400 peak   693 spectrum    1 weight  0.10000E+01 volume  0.83057E-03 ppm1      8.729 ppm2      3.608 CV     1
 ASSI {  699}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HB1 ))
      2.500     0.800     0.800 peak   699 spectrum    1 weight  0.10000E+01 volume  0.32466E-02 ppm1      8.728 ppm2      2.189 CV     1
 ASSI {  716}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 44   and name HN  ))
      2.400     0.700     0.700 peak   716 spectrum    1 weight  0.10000E+01 volume  0.42701E-02 ppm1      8.460 ppm2      8.157 CV     1
 ASSI {  718}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      4.300     2.300     1.700 peak   718 spectrum    1 weight  0.10000E+01 volume  0.52771E-03 ppm1      8.461 ppm2      6.964 CV     1
 ASSI {  719}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.500     0.800     0.800 peak   719 spectrum    1 weight  0.10000E+01 volume  0.34850E-02 ppm1      8.460 ppm2      8.229 CV     1
 ASSI {  720}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.800     0.800 peak   720 spectrum    1 weight  0.10000E+01 volume  0.38817E-02 ppm1      8.067 ppm2      7.888 CV     1
 ASSI {  721}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HN  ))
      2.400     0.700     0.700 peak   721 spectrum    1 weight  0.10000E+01 volume  0.47438E-02 ppm1      7.955 ppm2      8.274 CV     1
 ASSI {  731}
   (( segid "    " and resid 83   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.500     1.500     1.500 peak   731 spectrum    1 weight  0.10000E+01 volume  0.20685E-02 ppm1      7.955 ppm2      2.005 CV     1
 ASSI {  735}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.500     1.500     1.500 peak   735 spectrum    1 weight  0.10000E+01 volume  0.94423E-03 ppm1      8.067 ppm2      0.788 CV     1
 ASSI {  741}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      3.200     1.300     1.300 peak   741 spectrum    1 weight  0.10000E+01 volume  0.16759E-02 ppm1      8.064 ppm2      4.553 CV     1
 ASSI {  747}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
      2.800     0.900     0.900 peak   747 spectrum    1 weight  0.10000E+01 volume  0.14144E-02 ppm1      8.061 ppm2      1.825 CV     1
 ASSI {  748}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HN  ))
      2.100     0.600     0.600 peak   748 spectrum    1 weight  0.10000E+01 volume  0.58188E-02 ppm1      8.038 ppm2      7.508 CV     1
 ASSI {  751}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      2.200     0.600     0.600 peak   751 spectrum    1 weight  0.10000E+01 volume  0.63186E-02 ppm1      8.038 ppm2      4.843 CV     1
 ASSI {  752}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      2.900     1.100     1.100 peak   752 spectrum    1 weight  0.10000E+01 volume  0.15917E-02 ppm1      8.039 ppm2      4.744 CV     1
 ASSI {  753}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      3.200     1.300     1.300 peak   753 spectrum    1 weight  0.10000E+01 volume  0.16339E-02 ppm1      8.488 ppm2      4.720 CV     1
 ASSI {  757}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.700     0.900     0.900 peak   757 spectrum    1 weight  0.10000E+01 volume  0.46746E-02 ppm1      8.489 ppm2      2.833 CV     1
 OR {  757}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  758}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.800     1.800     1.800 peak   758 spectrum    1 weight  0.10000E+01 volume  0.97387E-03 ppm1      8.491 ppm2      1.242 CV     1
 ASSI {  759}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HA  ))
      3.400     1.400     1.400 peak   759 spectrum    1 weight  0.10000E+01 volume  0.12782E-02 ppm1      7.208 ppm2      5.045 CV     1
 ASSI {  760}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HA  ))
      2.800     1.000     1.000 peak   760 spectrum    1 weight  0.10000E+01 volume  0.25082E-02 ppm1      7.209 ppm2      4.313 CV     1
 ASSI {  761}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HD1 ))
      3.600     1.600     1.600 peak   761 spectrum    1 weight  0.10000E+01 volume  0.94501E-03 ppm1      7.208 ppm2      4.030 CV     1
 ASSI {  762}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HG  ))
      2.100     0.600     0.600 peak   762 spectrum    1 weight  0.10000E+01 volume  0.82505E-02 ppm1      7.209 ppm2      1.773 CV     1
 OR {  762}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB1 ))
 ASSI {  763}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 33   and name HB2 ))
      2.700     0.900     0.900 peak   763 spectrum    1 weight  0.10000E+01 volume  0.22844E-02 ppm1      7.209 ppm2      1.408 CV     1
 ASSI {  766}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
      2.400     0.700     0.700 peak   766 spectrum    1 weight  0.10000E+01 volume  0.49062E-02 ppm1      7.209 ppm2      8.048 CV     1
 ASSI {  767}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      3.300     1.400     1.400 peak   767 spectrum    1 weight  0.10000E+01 volume  0.13594E-02 ppm1      8.490 ppm2      8.239 CV     1
 ASSI {  774}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      3.800     1.800     1.800 peak   774 spectrum    1 weight  0.10000E+01 volume  0.30200E-03 ppm1      7.208 ppm2      2.807 CV     1
 ASSI {  777}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HA  ))
      3.800     1.800     1.800 peak   777 spectrum    1 weight  0.10000E+01 volume  0.64828E-03 ppm1      7.209 ppm2      4.735 CV     1
 ASSI {  778}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 70   and name HB  ))
      4.200     2.200     1.800 peak   778 spectrum    1 weight  0.10000E+01 volume  0.33826E-03 ppm1      7.210 ppm2      4.631 CV     1
 ASSI {  779}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
      4.500     2.500     1.500 peak   779 spectrum    1 weight  0.10000E+01 volume  0.59866E-03 ppm1      7.210 ppm2      8.455 CV     1
 ASSI {  785}
   (( segid "    " and resid 65   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      2.200     0.600     0.600 peak   785 spectrum    1 weight  0.10000E+01 volume  0.74594E-02 ppm1      8.219 ppm2      1.391 CV     1
 ASSI {  788}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      3.600     1.600     1.600 peak   788 spectrum    1 weight  0.10000E+01 volume  0.64245E-03 ppm1      8.221 ppm2      4.447 CV     1
 ASSI {  791}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
      3.200     1.200     1.200 peak   791 spectrum    1 weight  0.10000E+01 volume  0.42088E-02 ppm1      8.003 ppm2      2.030 CV     1
 ASSI {  793}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
      2.500     0.800     0.800 peak   793 spectrum    1 weight  0.10000E+01 volume  0.21936E-02 ppm1      8.003 ppm2      1.818 CV     1
 ASSI {  796}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.900     1.000     1.000 peak   796 spectrum    1 weight  0.10000E+01 volume  0.17656E-02 ppm1      8.003 ppm2      2.772 CV     1
 ASSI {  797}
   (( segid "    " and resid 77   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.400     1.400     1.400 peak   797 spectrum    1 weight  0.10000E+01 volume  0.10905E-02 ppm1      8.003 ppm2      4.483 CV     1
 ASSI {  800}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      4.100     2.100     1.900 peak   800 spectrum    1 weight  0.10000E+01 volume  0.70163E-03 ppm1      8.665 ppm2      8.040 CV     1
 ASSI {  802}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HN  ))
      2.400     0.700     0.700 peak   802 spectrum    1 weight  0.10000E+01 volume  0.51161E-02 ppm1      8.157 ppm2      7.787 CV     1
 ASSI {  803}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      2.700     0.900     0.900 peak   803 spectrum    1 weight  0.10000E+01 volume  0.33040E-02 ppm1      7.830 ppm2      8.238 CV     1
 ASSI {  804}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HA1 ))
      2.700     0.900     0.900 peak   804 spectrum    1 weight  0.10000E+01 volume  0.34322E-02 ppm1      8.666 ppm2      4.255 CV     1
 ASSI {  806}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 35   and name HB1 ))
      3.600     1.600     1.600 peak   806 spectrum    1 weight  0.10000E+01 volume  0.17056E-02 ppm1      8.458 ppm2      3.582 CV     1
 ASSI {  808}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      3.100     1.200     1.200 peak   808 spectrum    1 weight  0.10000E+01 volume  0.28948E-02 ppm1      8.665 ppm2      2.888 CV     1
 ASSI {  811}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      2.800     1.000     1.000 peak   811 spectrum    1 weight  0.10000E+01 volume  0.40095E-02 ppm1      8.665 ppm2      2.664 CV     1
 ASSI {  813}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
      2.900     1.000     1.000 peak   813 spectrum    1 weight  0.10000E+01 volume  0.14047E-02 ppm1      8.459 ppm2      2.172 CV     1
 ASSI {  814}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 61   and name HB2 ))
      3.500     1.600     1.600 peak   814 spectrum    1 weight  0.10000E+01 volume  0.10877E-02 ppm1      8.820 ppm2      2.065 CV     1
 ASSI {  817}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 70   and name HA  ))
      3.400     1.400     1.400 peak   817 spectrum    1 weight  0.10000E+01 volume  0.10642E-02 ppm1      8.457 ppm2      4.949 CV     1
 ASSI {  818}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 29   and name HA  ))
      3.000     1.100     1.100 peak   818 spectrum    1 weight  0.10000E+01 volume  0.19066E-02 ppm1      8.665 ppm2      4.842 CV     1
 ASSI {  821}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 43   and name HB2 ))
      2.500     0.800     0.800 peak   821 spectrum    1 weight  0.10000E+01 volume  0.31786E-02 ppm1      8.158 ppm2      1.844 CV     1
 ASSI {  823}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 18   and name HB% )
      2.300     0.700     0.700 peak   823 spectrum    1 weight  0.10000E+01 volume  0.81555E-02 ppm1      7.830 ppm2      1.539 CV     1
 ASSI {  824}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.100     1.200     1.200 peak   824 spectrum    1 weight  0.10000E+01 volume  0.19519E-02 ppm1      7.830 ppm2      4.562 CV     1
 ASSI {  825}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.700     0.900     0.900 peak   825 spectrum    1 weight  0.10000E+01 volume  0.37110E-02 ppm1      7.830 ppm2      4.369 CV     1
 ASSI {  826}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.300     1.300     1.300 peak   826 spectrum    1 weight  0.10000E+01 volume  0.10224E-02 ppm1      7.832 ppm2      4.141 CV     1
 ASSI {  828}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.400     1.400 peak   828 spectrum    1 weight  0.10000E+01 volume  0.99892E-03 ppm1      7.830 ppm2      3.942 CV     1
 ASSI {  831}
   (( segid "    " and resid 29   and name HN  ))
   (( segid "    " and resid 28   and name HN  ))
      3.700     1.700     1.700 peak   831 spectrum    1 weight  0.10000E+01 volume  0.10318E-02 ppm1      8.665 ppm2      8.566 CV     1
 ASSI {  837}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HD1%)
      5.100     3.300     0.900 peak   837 spectrum    1 weight  0.10000E+01 volume  0.30251E-03 ppm1      8.457 ppm2      0.880 CV     1
 ASSI {  838}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HG1 ))
      5.200     3.400     0.800 peak   838 spectrum    1 weight  0.10000E+01 volume  0.40724E-03 ppm1      8.457 ppm2      1.939 CV     1
 ASSI {  840}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 71   and name HD2 ))
      5.100     3.200     0.900 peak   840 spectrum    1 weight  0.10000E+01 volume  0.38624E-03 ppm1      8.453 ppm2      2.811 CV     1
 ASSI {  841}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 69   and name HA  ))
      3.900     1.900     1.900 peak   841 spectrum    1 weight  0.10000E+01 volume  0.48031E-03 ppm1      8.458 ppm2      5.268 CV     1
 ASSI {  844}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 40   and name HA  ))
      4.800     2.800     1.200 peak   844 spectrum    1 weight  0.10000E+01 volume  0.31507E-03 ppm1      8.156 ppm2      4.578 CV     1
 ASSI {  854}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.600     1.700     1.700 peak   854 spectrum    1 weight  0.10000E+01 volume  0.62804E-03 ppm1      7.977 ppm2      3.013 CV     1
 ASSI {  863}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.400     1.500     1.500 peak   863 spectrum    1 weight  0.10000E+01 volume  0.20825E-02 ppm1      8.462 ppm2      8.603 CV     1
 ASSI {  865}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      2.300     0.700     0.700 peak   865 spectrum    1 weight  0.10000E+01 volume  0.67746E-02 ppm1      8.461 ppm2      4.709 CV     1
 ASSI {  870}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.900     1.000     1.000 peak   870 spectrum    1 weight  0.10000E+01 volume  0.33980E-02 ppm1      8.606 ppm2      2.879 CV     1
 ASSI {  871}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      2.900     1.000     1.000 peak   871 spectrum    1 weight  0.10000E+01 volume  0.32444E-02 ppm1      8.606 ppm2      2.757 CV     1
 ASSI {  875}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HG  ))
      3.300     1.300     1.300 peak   875 spectrum    1 weight  0.10000E+01 volume  0.26193E-02 ppm1      8.461 ppm2      1.573 CV     1
 ASSI {  877}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.800     1.000     1.000 peak   877 spectrum    1 weight  0.10000E+01 volume  0.34605E-02 ppm1      8.461 ppm2      1.450 CV     1
 ASSI {  879}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.800     1.000     1.000 peak   879 spectrum    1 weight  0.10000E+01 volume  0.19513E-02 ppm1      8.460 ppm2      1.240 CV     1
 ASSI {  884}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      4.400     2.400     1.600 peak   884 spectrum    1 weight  0.10000E+01 volume  0.76406E-03 ppm1      8.461 ppm2      2.874 CV     1
 ASSI {  891}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HG  ))
      2.500     0.800     0.800 peak   891 spectrum    1 weight  0.10000E+01 volume  0.24363E-02 ppm1      7.788 ppm2      1.735 CV     1
 ASSI {  899}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      4.000     2.000     2.000 peak   899 spectrum    1 weight  0.10000E+01 volume  0.10423E-02 ppm1      7.585 ppm2      0.970 CV     1
 OR {  899}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI {  901}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 43   and name HD2%)
      3.900     1.900     1.900 peak   901 spectrum    1 weight  0.10000E+01 volume  0.96959E-03 ppm1      7.786 ppm2      1.049 CV     1
 ASSI {  906}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB1 ))
      4.100     2.100     1.900 peak   906 spectrum    1 weight  0.10000E+01 volume  0.74547E-03 ppm1      7.787 ppm2      3.291 CV     1
 ASSI {  907}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name H28A))
      3.300     3.300     2.700 peak   907 spectrum    1 weight  0.10000E+01 volume  0.39874E-03 ppm1      7.789 ppm2      3.466 CV     1
 ASSI {  915}
   (( segid "    " and resid 81   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.900     1.900     1.900 peak   915 spectrum    1 weight  0.10000E+01 volume  0.51440E-03 ppm1      7.585 ppm2      4.903 CV     1
 ASSI {  919}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.200     1.300     1.300 peak   919 spectrum    1 weight  0.10000E+01 volume  0.49652E-02 ppm1      8.146 ppm2      1.606 CV     1
 ASSI {  920}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.600     0.900     0.900 peak   920 spectrum    1 weight  0.10000E+01 volume  0.25071E-02 ppm1      8.145 ppm2      1.478 CV     1
 ASSI {  921}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 3    and name HG2%)
      3.700     1.700     1.700 peak   921 spectrum    1 weight  0.10000E+01 volume  0.23731E-02 ppm1      8.146 ppm2      1.377 CV     1
 ASSI {  923}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG  ))
      2.200     0.600     0.600 peak   923 spectrum    1 weight  0.10000E+01 volume  0.46151E-02 ppm1      9.427 ppm2      1.576 CV     1
 OR {  923}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  924}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.400     1.400     1.400 peak   924 spectrum    1 weight  0.10000E+01 volume  0.26097E-02 ppm1      9.427 ppm2      1.474 CV     1
 ASSI {  925}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.400     0.700     0.700 peak   925 spectrum    1 weight  0.10000E+01 volume  0.34922E-02 ppm1      9.428 ppm2      1.359 CV     1
 ASSI {  930}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB  ))
      3.800     1.800     1.800 peak   930 spectrum    1 weight  0.10000E+01 volume  0.13990E-02 ppm1      8.146 ppm2      4.182 CV     1
 ASSI {  933}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.900     1.900     1.900 peak   933 spectrum    1 weight  0.10000E+01 volume  0.88211E-03 ppm1      8.146 ppm2      9.426 CV     1
 ASSI {  936}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HD21))
      3.000     1.100     1.100 peak   936 spectrum    1 weight  0.10000E+01 volume  0.19548E-02 ppm1      9.428 ppm2      7.332 CV     1
 ASSI {  937}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      4.500     2.500     1.500 peak   937 spectrum    1 weight  0.10000E+01 volume  0.28420E-03 ppm1      9.429 ppm2      4.900 CV     1
 ASSI {  941}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      6.000     5.800     0.000 peak   941 spectrum    1 weight  0.10000E+01 volume  0.14021E-03 ppm1      9.427 ppm2      3.046 CV     1
 ASSI {  942}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 79   and name HB2 ))
      5.700     4.100     0.300 peak   942 spectrum    1 weight  0.10000E+01 volume  0.17752E-03 ppm1      9.427 ppm2      2.775 CV     1
 ASSI {  948}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HB  ))
      2.600     0.800     0.800 peak   948 spectrum    1 weight  0.10000E+01 volume  0.30748E-02 ppm1      8.174 ppm2      1.785 CV     1
 ASSI {  949}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
      3.400     1.400     1.400 peak   949 spectrum    1 weight  0.10000E+01 volume  0.74237E-03 ppm1      8.175 ppm2      2.318 CV     1
 ASSI {  950}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.400     2.500     1.600 peak   950 spectrum    1 weight  0.10000E+01 volume  0.37067E-03 ppm1      8.177 ppm2      2.761 CV     1
 ASSI {  952}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HA  ))
      2.200     0.600     0.600 peak   952 spectrum    1 weight  0.10000E+01 volume  0.78260E-02 ppm1      8.174 ppm2      4.835 CV     1
 ASSI {  954}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HA  ))
      2.900     1.000     1.000 peak   954 spectrum    1 weight  0.10000E+01 volume  0.17439E-02 ppm1      8.172 ppm2      4.659 CV     1
 ASSI {  955}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 59   and name HN  ))
      4.300     2.300     1.700 peak   955 spectrum    1 weight  0.10000E+01 volume  0.50888E-03 ppm1      8.178 ppm2      8.483 CV     1
 ASSI {  965}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB1 ))
      3.400     1.400     1.400 peak   965 spectrum    1 weight  0.10000E+01 volume  0.96210E-03 ppm1      9.070 ppm2      1.860 CV     1
 ASSI {  968}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH22))
      2.800     1.000     1.000 peak   968 spectrum    1 weight  0.10000E+01 volume  0.28443E-02 ppm1      9.071 ppm2      6.891 CV     1
 OR {  968}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH21))
 OR {  968}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH11))
 OR {  968}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HH12))
 ASSI {  969}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HG2 ))
      3.500     1.500     1.500 peak   969 spectrum    1 weight  0.10000E+01 volume  0.73055E-03 ppm1      7.323 ppm2      1.171 CV     1
 ASSI {  970}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.700     1.700     1.700 peak   970 spectrum    1 weight  0.10000E+01 volume  0.88510E-03 ppm1      7.323 ppm2      2.044 CV     1
 OR {  970}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  971}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HD2 ))
      2.800     1.000     1.000 peak   971 spectrum    1 weight  0.10000E+01 volume  0.23189E-02 ppm1      7.323 ppm2      3.199 CV     1
 OR {  971}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HD1 ))
 ASSI {  972}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 27   and name HA  ))
      3.500     1.500     1.500 peak   972 spectrum    1 weight  0.10000E+01 volume  0.63863E-03 ppm1      7.323 ppm2      4.303 CV     1
 ASSI {  973}
   (( segid "    " and resid 11   and name HE  ))
   (( segid "    " and resid 11   and name HG1 ))
      3.600     1.600     1.600 peak   973 spectrum    1 weight  0.10000E+01 volume  0.47700E-03 ppm1      7.323 ppm2      1.416 CV     1
 ASSI {  978}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 75   and name HG  ))
      3.600     1.600     1.600 peak   978 spectrum    1 weight  0.10000E+01 volume  0.12564E-02 ppm1      7.331 ppm2      1.690 CV     1
 ASSI {  979}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HG  ))
      3.900     1.900     1.900 peak   979 spectrum    1 weight  0.10000E+01 volume  0.13041E-02 ppm1      7.330 ppm2      1.578 CV     1
 OR {  979}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  980}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 4    and name HB2 ))
      4.300     2.300     1.700 peak   980 spectrum    1 weight  0.10000E+01 volume  0.89781E-03 ppm1      7.330 ppm2      1.474 CV     1
 ASSI {  981}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HB1 ))
      3.000     1.100     1.100 peak   981 spectrum    1 weight  0.10000E+01 volume  0.13799E-02 ppm1      7.329 ppm2      3.089 CV     1
 ASSI {  982}
   (( segid "    " and resid 79   and name HD21))
   (( segid "    " and resid 79   and name HB2 ))
      3.200     1.300     1.300 peak   982 spectrum    1 weight  0.10000E+01 volume  0.11487E-02 ppm1      7.331 ppm2      2.768 CV     1
 ASSI {  985}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG12))
      3.100     1.200     1.200 peak   985 spectrum    1 weight  0.10000E+01 volume  0.12551E-02 ppm1      8.174 ppm2      1.110 CV     1
 ASSI {  986}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
      4.100     2.100     1.900 peak   986 spectrum    1 weight  0.10000E+01 volume  0.10310E-02 ppm1      8.174 ppm2      1.021 CV     1
 ASSI {  987}
   (( segid "    " and resid 60   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
      3.600     1.700     1.700 peak   987 spectrum    1 weight  0.10000E+01 volume  0.83636E-03 ppm1      8.173 ppm2      0.845 CV     1
 ASSI {  988}
   (( segid "    " and resid 60   and name HN  ))
   (( segid "    " and resid 60   and name HG11))
      3.700     1.700     1.700 peak   988 spectrum    1 weight  0.10000E+01 volume  0.13678E-02 ppm1      8.174 ppm2      1.482 CV     1
 ASSI {  989}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      3.700     1.800     1.800 peak   989 spectrum    1 weight  0.10000E+01 volume  0.14101E-02 ppm1      8.146 ppm2      0.964 CV     1
 ASSI {  990}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      4.300     2.300     1.700 peak   990 spectrum    1 weight  0.10000E+01 volume  0.11745E-02 ppm1      8.146 ppm2      0.876 CV     1
 ASSI {  991}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
      4.100     2.100     1.900 peak   991 spectrum    1 weight  0.10000E+01 volume  0.84937E-03 ppm1      8.460 ppm2      0.797 CV     1
 ASSI {  993}
   (( segid "    " and resid 26   and name HN  ))
   (  segid "    " and resid 26   and name HD1%)
      4.000     2.000     2.000 peak   993 spectrum    1 weight  0.10000E+01 volume  0.12563E-02 ppm1      8.461 ppm2      0.693 CV     1
 ASSI {  995}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 35   and name HD% )
      2.800     1.000     1.000 peak   995 spectrum    1 weight  0.10000E+01 volume  0.15702E-02 ppm1      8.457 ppm2      7.115 CV     1
 ASSI {  997}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB1 ))
      4.100     2.100     1.900 peak   997 spectrum    1 weight  0.10000E+01 volume  0.62639E-03 ppm1      8.036 ppm2      2.896 CV     1
 ASSI {  998}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 29   and name HB2 ))
      4.800     2.800     1.200 peak   998 spectrum    1 weight  0.10000E+01 volume  0.46391E-03 ppm1      8.037 ppm2      2.663 CV     1
 ASSI {  999}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HG  ))
      4.400     2.400     1.600 peak   999 spectrum    1 weight  0.10000E+01 volume  0.59071E-03 ppm1      8.039 ppm2      1.198 CV     1
 ASSI { 1000}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.700     2.800     1.300 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.54562E-03 ppm1      8.036 ppm2      1.050 CV     1
 ASSI { 1001}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      5.700     4.100     0.300 peak  1001 spectrum    1 weight  0.10000E+01 volume  0.47188E-03 ppm1      8.037 ppm2      1.632 CV     1
 ASSI { 1002}
   (( segid "    " and resid 30   and name HN  ))
   (  segid "    " and resid 30   and name HD% )
      2.300     0.700     0.700 peak  1002 spectrum    1 weight  0.10000E+01 volume  0.50997E-02 ppm1      8.039 ppm2      7.305 CV     1
 ASSI { 1003}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
      3.300     1.300     1.300 peak  1003 spectrum    1 weight  0.10000E+01 volume  0.23203E-02 ppm1      7.209 ppm2      1.058 CV     1
 ASSI { 1005}
   (( segid "    " and resid 33   and name HN  ))
   (  segid "    " and resid 33   and name HD1%)
      3.900     1.900     1.900 peak  1005 spectrum    1 weight  0.10000E+01 volume  0.20480E-02 ppm1      7.208 ppm2      0.955 CV     1
 ASSI { 1006}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD2%)
      4.400     2.400     1.600 peak  1006 spectrum    1 weight  0.10000E+01 volume  0.84715E-03 ppm1      8.460 ppm2      0.347 CV     1
 ASSI { 1007}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 45   and name HD1%)
      4.600     2.700     1.400 peak  1007 spectrum    1 weight  0.10000E+01 volume  0.86729E-03 ppm1      8.461 ppm2      0.233 CV     1
 ASSI { 1009}
   (( segid "    " and resid 40   and name HN  ))
   (  segid "    " and resid 40   and name HD% )
      2.700     0.900     0.900 peak  1009 spectrum    1 weight  0.10000E+01 volume  0.19450E-02 ppm1      8.060 ppm2      6.971 CV     1
 ASSI { 1013}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
      3.600     1.600     1.600 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.13455E-02 ppm1      8.415 ppm2      1.036 CV     1
 ASSI { 1015}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.900     1.900     1.900 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.15035E-02 ppm1      8.322 ppm2      1.124 CV     1
 ASSI { 1016}
   (( segid "    " and resid 48   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      3.800     1.800     1.800 peak  1016 spectrum    1 weight  0.10000E+01 volume  0.11352E-02 ppm1      8.321 ppm2      1.523 CV     1
 ASSI { 1017}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
      3.700     1.700     1.700 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.13405E-02 ppm1      7.507 ppm2      0.782 CV     1
 ASSI { 1018}
   (( segid "    " and resid 31   and name HN  ))
   (  segid "    " and resid 31   and name HD1%)
      3.000     1.100     1.100 peak  1018 spectrum    1 weight  0.10000E+01 volume  0.14718E-02 ppm1      7.507 ppm2      0.457 CV     1
 ASSI { 1020}
   (( segid "    " and resid 64   and name HN  ))
   (  segid "    " and resid 65   and name HB% )
      4.300     2.300     1.700 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.75962E-03 ppm1      7.403 ppm2      1.389 CV     1
 ASSI { 1022}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA1 ))
      4.700     2.700     1.300 peak  1022 spectrum    1 weight  0.10000E+01 volume  0.70922E-03 ppm1      8.877 ppm2      4.015 CV     1
 OR { 1022}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 80   and name HA2 ))
 ASSI { 1023}
   (( segid "    " and resid 79   and name HN  ))
   (( segid "    " and resid 75   and name HA  ))
      3.900     1.900     1.900 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.61203E-03 ppm1      8.875 ppm2      3.891 CV     1
 ASSI { 1028}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HG1 ))
      3.800     1.800     1.800 peak  1028 spectrum    1 weight  0.10000E+01 volume  0.42882E-03 ppm1      7.183 ppm2      1.359 CV     1
 ASSI { 1029}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HD1 ))
      3.600     1.600     1.600 peak  1029 spectrum    1 weight  0.10000E+01 volume  0.56566E-03 ppm1      7.183 ppm2      3.093 CV     1
 ASSI { 1031}
   (( segid "    " and resid 55   and name HE  ))
   (( segid "    " and resid 55   and name HB1 ))
      4.700     2.700     1.300 peak  1031 spectrum    1 weight  0.10000E+01 volume  0.27571E-03 ppm1      7.186 ppm2      1.900 CV     1
 ASSI { 1035}
   (( segid "    " and resid 51   and name HE  ))
   (( segid "    " and resid 51   and name HG2 ))
      3.900     1.900     1.900 peak  1035 spectrum    1 weight  0.10000E+01 volume  0.29487E-03 ppm1      7.557 ppm2      1.733 CV     1
 ASSI { 1036}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 36   and name HG2 ))
      4.600     2.700     1.400 peak  1036 spectrum    1 weight  0.10000E+01 volume  0.21143E-03 ppm1      7.995 ppm2      2.495 CV     1
 OR { 1036}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 36   and name HG1 ))
 ASSI { 1038}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HG1 ))
      4.000     2.000     2.000 peak  1038 spectrum    1 weight  0.10000E+01 volume  0.44578E-03 ppm1      7.994 ppm2      1.937 CV     1
 ASSI { 1039}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HB2 ))
      3.900     1.900     1.900 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.32555E-03 ppm1      7.994 ppm2      1.857 CV     1
 ASSI { 1040}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HG2 ))
      3.700     1.700     1.700 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.54712E-03 ppm1      7.992 ppm2      1.625 CV     1
 ASSI { 1042}
   (( segid "    " and resid 34   and name HE  ))
   (( segid "    " and resid 34   and name HD2 ))
      3.200     1.300     1.300 peak  1042 spectrum    1 weight  0.10000E+01 volume  0.10355E-02 ppm1      7.989 ppm2      3.346 CV     1
 ASSI { 1043}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HB1 ))
      4.800     2.800     1.200 peak  1043 spectrum    1 weight  0.10000E+01 volume  0.32107E-03 ppm1      7.397 ppm2      2.084 CV     1
 ASSI { 1044}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HB2 ))
      5.400     3.600     0.600 peak  1044 spectrum    1 weight  0.10000E+01 volume  0.23186E-03 ppm1      7.400 ppm2      1.864 CV     1
 ASSI { 1045}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HG2 ))
      3.400     1.400     1.400 peak  1045 spectrum    1 weight  0.10000E+01 volume  0.73798E-03 ppm1      7.397 ppm2      1.748 CV     1
 OR { 1045}
   (( segid "    " and resid 67   and name HE  ))
   (( segid "    " and resid 67   and name HG1 ))
 ASSI { 1047}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HD2 ))
      3.400     1.400     1.400 peak  1047 spectrum    1 weight  0.10000E+01 volume  0.81513E-03 ppm1      7.515 ppm2      3.315 CV     1
 ASSI { 1049}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.700     1.700     1.700 peak  1049 spectrum    1 weight  0.10000E+01 volume  0.35072E-03 ppm1      7.514 ppm2      1.693 CV     1
 ASSI { 1050}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.800     1.800     1.800 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.52678E-03 ppm1      7.513 ppm2      2.025 CV     1
 OR { 1050}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI { 1051}
   (( segid "    " and resid 12   and name HE  ))
   (( segid "    " and resid 12   and name HG1 ))
      4.500     2.600     1.500 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.32927E-03 ppm1      7.514 ppm2      1.914 CV     1
 ASSI {    5}
   (( segid "    " and resid 42   and name H28B))
   (( segid "    " and resid 42   and name H32A))
      2.300     0.700     0.700 peak     5 spectrum    1 weight  0.10000E+01 volume  0.70721E-02 ppm1      3.896 ppm2      4.119 CV     1
 ASSI {    6}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H32A))
      2.900     1.100     1.100 peak     6 spectrum    1 weight  0.10000E+01 volume  0.63445E-02 ppm1      3.457 ppm2      4.119 CV     1
 ASSI {    9}
   (( segid "    " and resid 42   and name H28A))
   (( segid "    " and resid 42   and name H28B))
      1.600     0.300     0.600 peak     9 spectrum    1 weight  0.10000E+01 volume  0.17867E-01 ppm1      3.459 ppm2      3.899 CV     1
 ASSI {   10}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H42B))
      2.900     1.100     1.100 peak    10 spectrum    1 weight  0.10000E+01 volume  0.41642E-02 ppm1      3.089 ppm2      3.455 CV     1
 OR {   10}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H42A))
 OR {   10}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H42A))
 OR {   10}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H42B))
 ASSI {   12}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H38B))
      2.500     0.800     0.800 peak    12 spectrum    1 weight  0.10000E+01 volume  0.78720E-02 ppm1      3.566 ppm2      2.562 CV     1
 OR {   12}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H38A))
 OR {   12}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H38B))
 OR {   12}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H38A))
 ASSI {   14}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H31%)
      2.800     1.000     1.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.13750E-01 ppm1      4.119 ppm2      1.068 CV     1
 ASSI {   15}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H31%)
      3.200     1.300     1.300 peak    15 spectrum    1 weight  0.10000E+01 volume  0.94759E-02 ppm1      3.900 ppm2      1.068 CV     1
 ASSI {   16}
   (( segid "    " and resid 42   and name H32A))
   (  segid "    " and resid 42   and name H30%)
      2.500     0.800     0.800 peak    16 spectrum    1 weight  0.10000E+01 volume  0.77795E-02 ppm1      4.119 ppm2      0.942 CV     1
 ASSI {   17}
   (( segid "    " and resid 42   and name H28B))
   (  segid "    " and resid 42   and name H30%)
      2.000     0.500     0.500 peak    17 spectrum    1 weight  0.10000E+01 volume  0.20347E-01 ppm1      3.900 ppm2      0.942 CV     1
 ASSI {   18}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H31%)
      2.300     0.600     0.600 peak    18 spectrum    1 weight  0.10000E+01 volume  0.13376E-01 ppm1      3.457 ppm2      1.068 CV     1
 ASSI {   19}
   (( segid "    " and resid 42   and name H28A))
   (  segid "    " and resid 42   and name H30%)
      2.700     0.900     0.900 peak    19 spectrum    1 weight  0.10000E+01 volume  0.21126E-01 ppm1      3.458 ppm2      0.942 CV     1
 ASSI {   20}
   (( segid "    " and resid 42   and name H38A))
   (  segid "    " and resid 42   and name H31%)
      2.700     2.700     3.300 peak    20 spectrum    1 weight  0.10000E+01 volume  0.14146E-02 ppm1      2.568 ppm2      1.067 CV     1
 OR {   20}
   (( segid "    " and resid 42   and name H38B))
   (  segid "    " and resid 42   and name H31%)
 ASSI {   21}
   (( segid "    " and resid 42   and name H38A))
   (  segid "    " and resid 42   and name H30%)
      4.600     2.600     1.400 peak    21 spectrum    1 weight  0.10000E+01 volume  0.76943E-03 ppm1      2.564 ppm2      0.941 CV     1
 OR {   21}
   (( segid "    " and resid 42   and name H38B))
   (  segid "    " and resid 42   and name H30%)
 ASSI {   22}
   (( segid "    " and resid 42   and name H36A))
   (  segid "    " and resid 42   and name H30%)
      2.200     0.600     0.600 peak    22 spectrum    1 weight  0.10000E+01 volume  0.50204E-02 ppm1      8.115 ppm2      0.942 CV     1
 ASSI {   23}
   (( segid "    " and resid 42   and name H41A))
   (  segid "    " and resid 42   and name H30%)
      3.000     1.100     1.100 peak    23 spectrum    1 weight  0.10000E+01 volume  0.74082E-03 ppm1      8.301 ppm2      0.940 CV     1
 ASSI {   24}
   (( segid "    " and resid 42   and name H36A))
   (  segid "    " and resid 42   and name H31%)
      3.500     1.500     1.500 peak    24 spectrum    1 weight  0.10000E+01 volume  0.49103E-02 ppm1      8.115 ppm2      1.068 CV     1
 ASSI {   25}
   (( segid "    " and resid 42   and name H41A))
   (  segid "    " and resid 42   and name H31%)
      2.900     2.900     3.100 peak    25 spectrum    1 weight  0.10000E+01 volume  0.92048E-03 ppm1      8.294 ppm2      1.064 CV     1
 ASSI {   26}
   (( segid "    " and resid 42   and name H32A))
   (( segid "    " and resid 42   and name H36A))
      2.100     0.600     0.600 peak    26 spectrum    1 weight  0.10000E+01 volume  0.93235E-02 ppm1      4.119 ppm2      8.113 CV     1
 ASSI {   27}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H36A))
      2.300     0.600     0.600 peak    27 spectrum    1 weight  0.10000E+01 volume  0.91485E-02 ppm1      3.589 ppm2      8.113 CV     1
 OR {   27}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H36A))
 ASSI {   28}
   (( segid "    " and resid 42   and name H42A))
   (( segid "    " and resid 42   and name H41A))
      2.700     0.900     0.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.64720E-02 ppm1      3.443 ppm2      8.294 CV     1
 OR {   28}
   (( segid "    " and resid 42   and name H42B))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   29}
   (( segid "    " and resid 42   and name H37B))
   (( segid "    " and resid 42   and name H41A))
      5.800     4.200     0.200 peak    29 spectrum    1 weight  0.10000E+01 volume  0.65825E-03 ppm1      3.587 ppm2      8.294 CV     1
 OR {   29}
   (( segid "    " and resid 42   and name H37A))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   30}
   (( segid "    " and resid 42   and name H43B))
   (( segid "    " and resid 42   and name H41A))
      3.700     1.700     1.700 peak    30 spectrum    1 weight  0.10000E+01 volume  0.11303E-02 ppm1      3.078 ppm2      8.295 CV     1
 OR {   30}
   (( segid "    " and resid 42   and name H43A))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   31}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H36A))
      2.900     1.100     1.100 peak    31 spectrum    1 weight  0.10000E+01 volume  0.43741E-02 ppm1      2.562 ppm2      8.113 CV     1
 OR {   31}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H36A))
 ASSI {   32}
   (( segid "    " and resid 42   and name H38A))
   (( segid "    " and resid 42   and name H41A))
      2.300     0.700     0.700 peak    32 spectrum    1 weight  0.10000E+01 volume  0.10166E-01 ppm1      2.563 ppm2      8.293 CV     1
 OR {   32}
   (( segid "    " and resid 42   and name H38B))
   (( segid "    " and resid 42   and name H41A))
 ASSI {   35}
   (( segid "    " and resid 42   and name H37A))
   (  segid "    " and resid 42   and name H31%)
      3.900     1.900     1.900 peak    35 spectrum    1 weight  0.10000E+01 volume  0.67111E-03 ppm1      3.584 ppm2      1.068 CV     1
 ASSI {   13}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
      3.000     1.100     1.100 peak    13 spectrum    1 weight  0.10000E+01 volume  0.77552E-03 ppm1      0.792 ppm2      4.303 CV     1
 OR {   13}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
 OR {   13}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 52   and name HA  ))
 ASSI {   14}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HA  ))
      3.000     3.000     3.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.71216E-03 ppm1      0.793 ppm2      4.086 CV     1
 OR {   14}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 57   and name HA1 ))
 OR {   14}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {   18}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
      4.400     2.400     1.600 peak    18 spectrum    1 weight  0.10000E+01 volume  0.62030E-03 ppm1      0.868 ppm2      8.461 CV     1
 OR {   18}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 34   and name HN  ))
 OR {   18}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
 ASSI {   21}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HN  ))
      4.200     2.200     1.800 peak    21 spectrum    1 weight  0.10000E+01 volume  0.15647E-02 ppm1      0.871 ppm2      7.711 CV     1
 OR {   21}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI {   25}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.400     1.400     1.400 peak    25 spectrum    1 weight  0.10000E+01 volume  0.10698E-02 ppm1      0.870 ppm2      7.211 CV     1
 OR {   25}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI {   33}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 60   and name HA  ))
      3.000     1.100     1.100 peak    33 spectrum    1 weight  0.10000E+01 volume  0.17123E-02 ppm1      0.854 ppm2      4.658 CV     1
 OR {   33}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 38   and name HA  ))
 ASSI {   35}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
      3.700     1.800     1.800 peak    35 spectrum    1 weight  0.10000E+01 volume  0.15925E-02 ppm1      0.841 ppm2      3.962 CV     1
 OR {   35}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
 ASSI {   39}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 35   and name HB1 ))
      4.500     2.500     1.500 peak    39 spectrum    1 weight  0.10000E+01 volume  0.52352E-03 ppm1      0.865 ppm2      3.581 CV     1
 OR {   39}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 61   and name HD2 ))
 ASSI {   40}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HB1 ))
      3.700     1.700     1.700 peak    40 spectrum    1 weight  0.10000E+01 volume  0.75384E-03 ppm1      0.871 ppm2      3.293 CV     1
 OR {   40}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 31   and name HA  ))
 OR {   40}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 41   and name HB1 ))
 ASSI {   42}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 40   and name HB1 ))
      3.700     1.700     1.700 peak    42 spectrum    1 weight  0.10000E+01 volume  0.13373E-02 ppm1      0.871 ppm2      3.011 CV     1
 OR {   42}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {   45}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      2.800     2.800     3.200 peak    45 spectrum    1 weight  0.10000E+01 volume  0.10265E-02 ppm1      0.795 ppm2      2.767 CV     1
 OR {   45}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
 OR {   45}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {   51}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
      2.900     2.900     3.100 peak    51 spectrum    1 weight  0.10000E+01 volume  0.86853E-03 ppm1      0.796 ppm2      2.316 CV     1
 OR {   51}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {   54}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
      2.800     1.000     1.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.33117E-02 ppm1      0.795 ppm2      1.934 CV     1
 OR {   54}
   (  segid "    " and resid 78   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
 ASSI {   60}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
      3.600     1.600     1.600 peak    60 spectrum    1 weight  0.10000E+01 volume  0.88407E-03 ppm1      0.841 ppm2      1.918 CV     1
 OR {   60}
   (  segid "    " and resid 60   and name HD1%)
   (( segid "    " and resid 78   and name HB  ))
 ASSI {   70}
   (  segid "    " and resid 38   and name HD1%)
   (( segid "    " and resid 71   and name HG2 ))
      2.900     1.100     1.100 peak    70 spectrum    1 weight  0.10000E+01 volume  0.19812E-02 ppm1      0.871 ppm2      1.293 CV     1
 OR {   70}
   (  segid "    " and resid 38   and name HD1%)
   (  segid "    " and resid 24   and name HG2%)
 ASSI {  120}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 56   and name HB2 ))
      3.500     1.600     1.600 peak   120 spectrum    1 weight  0.10000E+01 volume  0.97780E-03 ppm1      0.869 ppm2      2.775 CV     1
 OR {  120}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI {  163}
   (  segid "    " and resid 60   and name HG2%)
   (  segid "    " and resid 49   and name HB% )
      2.700     0.900     0.900 peak   163 spectrum    1 weight  0.10000E+01 volume  0.31301E-02 ppm1      1.024 ppm2      1.500 CV     1
 OR {  163}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 60   and name HG11))
 ASSI {  178}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG2 ))
      4.000     2.000     2.000 peak   178 spectrum    1 weight  0.10000E+01 volume  0.54593E-03 ppm1      1.524 ppm2      2.325 CV     1
 OR {  178}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  179}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 52   and name HB1 ))
      4.100     2.100     1.900 peak   179 spectrum    1 weight  0.10000E+01 volume  0.12185E-02 ppm1      1.529 ppm2      2.189 CV     1
 OR {  179}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 64   and name HB  ))
 OR {  179}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  198}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   198 spectrum    1 weight  0.10000E+01 volume  0.30011E-02 ppm1      1.024 ppm2      4.001 CV     1
 OR {  198}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 61   and name HD1 ))
 ASSI {  202}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 78   and name HA  ))
      5.000     3.100     1.000 peak   202 spectrum    1 weight  0.10000E+01 volume  0.45210E-03 ppm1      1.025 ppm2      3.738 CV     1
 OR {  202}
   (  segid "    " and resid 60   and name HG2%)
   (( segid "    " and resid 59   and name HB2 ))
 ASSI {  209}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
      2.800     1.000     1.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.34572E-02 ppm1      1.523 ppm2      4.259 CV     1
 OR {  209}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  221}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 78   and name HN  ))
      3.600     1.600     1.600 peak   221 spectrum    1 weight  0.10000E+01 volume  0.21490E-02 ppm1      0.868 ppm2      8.273 CV     1
 OR {  221}
   (  segid "    " and resid 78   and name HG2%)
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  231}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 61   and name HG1 ))
      3.200     3.200     2.800 peak   231 spectrum    1 weight  0.10000E+01 volume  0.78678E-03 ppm1      1.389 ppm2      2.165 CV     1
 OR {  231}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 61   and name HG2 ))
 OR {  231}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 71   and name HG1 ))
 OR {  231}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  246}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 60   and name HD1%)
      4.300     2.300     1.700 peak   246 spectrum    1 weight  0.10000E+01 volume  0.10842E-02 ppm1      1.387 ppm2      0.825 CV     1
 OR {  246}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  247}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 60   and name HD1%)
      3.200     1.300     1.300 peak   247 spectrum    1 weight  0.10000E+01 volume  0.30406E-02 ppm1      1.523 ppm2      0.842 CV     1
 OR {  247}
   (  segid "    " and resid 49   and name HB% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  250}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 64   and name HG1%)
      3.400     1.400     1.400 peak   250 spectrum    1 weight  0.10000E+01 volume  0.26431E-02 ppm1      1.387 ppm2      0.974 CV     1
 OR {  250}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 74   and name HG  ))
 OR {  250}
   (  segid "    " and resid 65   and name HB% )
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  255}
   (  segid "    " and resid 81   and name HB% )
   (  segid "    " and resid 82   and name HD1%)
      2.500     2.500     3.500 peak   255 spectrum    1 weight  0.10000E+01 volume  0.62959E-02 ppm1      1.625 ppm2      0.959 CV     1
 OR {  255}
   (  segid "    " and resid 81   and name HB% )
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  258}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 52   and name HD2%)
      2.200     0.600     0.600 peak   258 spectrum    1 weight  0.10000E+01 volume  0.84116E-02 ppm1      1.667 ppm2      1.032 CV     1
 OR {  258}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  259}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 52   and name HD1%)
      2.800     1.000     1.000 peak   259 spectrum    1 weight  0.10000E+01 volume  0.32686E-02 ppm1      1.667 ppm2      0.865 CV     1
 OR {  259}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  260}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 14   and name HD1%)
      3.500     1.500     1.500 peak   260 spectrum    1 weight  0.10000E+01 volume  0.10935E-02 ppm1      1.670 ppm2      0.773 CV     1
 OR {  260}
   (  segid "    " and resid 13   and name HB% )
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  261}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 47   and name HB1 ))
      4.400     2.400     1.600 peak   261 spectrum    1 weight  0.10000E+01 volume  0.56034E-03 ppm1      1.516 ppm2      2.345 CV     1
 OR {  261}
   (  segid "    " and resid 44   and name HB% )
   (( segid "    " and resid 46   and name HB2 ))
 ASSI {  264}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HG  ))
      2.600     0.900     0.900 peak   264 spectrum    1 weight  0.10000E+01 volume  0.40346E-02 ppm1      1.667 ppm2      2.028 CV     1
 OR {  264}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 51   and name HB2 ))
 OR {  264}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 12   and name HB1 ))
 OR {  264}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  271}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 53   and name HG1 ))
      3.300     1.400     1.400 peak   271 spectrum    1 weight  0.10000E+01 volume  0.67421E-03 ppm1      1.523 ppm2      2.758 CV     1
 OR {  271}
   (  segid "    " and resid 49   and name HB% )
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  286}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 50   and name HA  ))
      2.000     0.500     0.500 peak   286 spectrum    1 weight  0.10000E+01 volume  0.18499E-01 ppm1      1.647 ppm2      4.247 CV     1
 OR {  286}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
 ASSI {  288}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 46   and name HB1 ))
      3.500     1.600     1.600 peak   288 spectrum    1 weight  0.10000E+01 volume  0.85200E-03 ppm1      1.645 ppm2      2.312 CV     1
 OR {  288}
   (  segid "    " and resid 50   and name HB% )
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  290}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 13   and name HA  ))
      2.200     0.600     0.600 peak   290 spectrum    1 weight  0.10000E+01 volume  0.11515E-01 ppm1      1.668 ppm2      4.398 CV     1
 OR {  290}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 48   and name HB  ))
 ASSI {  308}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 14   and name HN  ))
      2.500     0.800     0.800 peak   308 spectrum    1 weight  0.10000E+01 volume  0.43575E-02 ppm1      1.668 ppm2      8.400 CV     1
 OR {  308}
   (  segid "    " and resid 13   and name HB% )
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  313}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 65   and name HN  ))
      2.200     0.600     0.600 peak   313 spectrum    1 weight  0.10000E+01 volume  0.96313E-02 ppm1      1.391 ppm2      8.220 CV     1
 OR {  313}
   (  segid "    " and resid 65   and name HB% )
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  329}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 38   and name HN  ))
      2.800     1.000     1.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.31512E-02 ppm1      1.055 ppm2      7.712 CV     1
 OR {  329}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  333}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
      3.900     1.900     1.900 peak   333 spectrum    1 weight  0.10000E+01 volume  0.55585E-03 ppm1      1.056 ppm2      8.452 CV     1
 OR {  333}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  342}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 37   and name HB1 ))
      3.100     1.200     1.200 peak   342 spectrum    1 weight  0.10000E+01 volume  0.96385E-03 ppm1      1.057 ppm2      3.078 CV     1
 OR {  342}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  343}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 40   and name HB1 ))
      3.500     1.500     1.500 peak   343 spectrum    1 weight  0.10000E+01 volume  0.10290E-02 ppm1      1.055 ppm2      3.003 CV     1
 OR {  343}
   (  segid "    " and resid 38   and name HG2%)
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  362}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 73   and name HB2 ))
      4.100     2.100     1.900 peak   362 spectrum    1 weight  0.10000E+01 volume  0.13599E-02 ppm1      1.206 ppm2      2.272 CV     1
 OR {  362}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  363}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 64   and name HB  ))
      4.400     2.400     1.600 peak   363 spectrum    1 weight  0.10000E+01 volume  0.60713E-03 ppm1      1.205 ppm2      2.210 CV     1
 OR {  363}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 71   and name HG1 ))
 ASSI {  369}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 64   and name HG1%)
      2.600     0.900     0.900 peak   369 spectrum    1 weight  0.10000E+01 volume  0.66946E-02 ppm1      1.205 ppm2      1.000 CV     1
 OR {  369}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 74   and name HG  ))
 OR {  369}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  370}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 64   and name HG1%)
      2.700     0.900     0.900 peak   370 spectrum    1 weight  0.10000E+01 volume  0.53969E-02 ppm1      1.205 ppm2      0.947 CV     1
 OR {  370}
   (  segid "    " and resid 68   and name HG2%)
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  371}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 4    and name HD2%)
      2.900     1.000     1.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.34220E-02 ppm1      1.645 ppm2      0.979 CV     1
 OR {  371}
   (  segid "    " and resid 2    and name HB% )
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  375}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HB2 ))
      3.800     1.800     1.800 peak   375 spectrum    1 weight  0.10000E+01 volume  0.81265E-03 ppm1      1.204 ppm2      1.885 CV     1
 OR {  375}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 77   and name HB2 ))
 OR {  375}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 72   and name HB1 ))
 ASSI {  381}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 56   and name HB2 ))
      2.600     0.800     0.800 peak   381 spectrum    1 weight  0.10000E+01 volume  0.25945E-02 ppm1      0.920 ppm2      2.777 CV     1
 OR {  381}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  392}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA1 ))
      4.000     2.000     2.000 peak   392 spectrum    1 weight  0.10000E+01 volume  0.13197E-02 ppm1      1.542 ppm2      4.060 CV     1
 OR {  392}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 19   and name HA2 ))
 OR {  392}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  398}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HA  ))
      3.700     1.700     1.700 peak   398 spectrum    1 weight  0.10000E+01 volume  0.31465E-03 ppm1      1.208 ppm2      4.618 CV     1
 OR {  398}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 70   and name HB  ))
 ASSI {  403}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 39   and name HA1 ))
      4.100     2.100     1.900 peak   403 spectrum    1 weight  0.10000E+01 volume  0.45466E-03 ppm1      1.542 ppm2      4.244 CV     1
 OR {  403}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 24   and name HB  ))
 OR {  403}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 47   and name HA  ))
 OR {  403}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 46   and name HA  ))
 OR {  403}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  408}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 17   and name HA  ))
      4.700     2.700     1.300 peak   408 spectrum    1 weight  0.10000E+01 volume  0.53457E-03 ppm1      1.543 ppm2      4.562 CV     1
 OR {  408}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 40   and name HA  ))
 ASSI {  410}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 82   and name HA  ))
      3.000     1.100     1.100 peak   410 spectrum    1 weight  0.10000E+01 volume  0.30601E-02 ppm1      1.569 ppm2      4.214 CV     1
 OR {  410}
   (  segid "    " and resid 85   and name HB% )
   (( segid "    " and resid 86   and name HA  ))
 ASSI {  415}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 67   and name HN  ))
      3.500     1.500     1.500 peak   415 spectrum    1 weight  0.10000E+01 volume  0.17716E-02 ppm1      1.205 ppm2      7.488 CV     1
 OR {  415}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 70   and name HN  ))
 ASSI {  425}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 57   and name HN  ))
      4.000     2.000     2.000 peak   425 spectrum    1 weight  0.10000E+01 volume  0.57439E-03 ppm1      0.918 ppm2      7.961 CV     1
 OR {  425}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 83   and name HN  ))
 ASSI {  427}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.700     0.700 peak   427 spectrum    1 weight  0.10000E+01 volume  0.87240E-02 ppm1      1.541 ppm2      7.830 CV     1
 OR {  427}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  431}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 22   and name HN  ))
      3.700     1.700     1.700 peak   431 spectrum    1 weight  0.10000E+01 volume  0.98472E-03 ppm1      1.543 ppm2      8.478 CV     1
 OR {  431}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 15   and name HN  ))
 OR {  431}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 20   and name HN  ))
 OR {  431}
   (  segid "    " and resid 18   and name HB% )
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  433}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 75   and name HN  ))
      5.100     3.300     0.900 peak   433 spectrum    1 weight  0.10000E+01 volume  0.31316E-03 ppm1      1.204 ppm2      8.724 CV     1
 OR {  433}
   (  segid "    " and resid 68   and name HG2%)
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  436}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 82   and name HN  ))
      3.800     1.800     1.800 peak   436 spectrum    1 weight  0.10000E+01 volume  0.75998E-03 ppm1      0.918 ppm2      8.269 CV     1
 OR {  436}
   (  segid "    " and resid 58   and name HG1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  451}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 77   and name HD2%)
      3.500     3.500     2.500 peak   451 spectrum    1 weight  0.10000E+01 volume  0.24081E-02 ppm1      1.124 ppm2      0.939 CV     1
 OR {  451}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 58   and name HG1%)
 OR {  451}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  452}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 52   and name HD1%)
      2.400     0.700     0.700 peak   452 spectrum    1 weight  0.10000E+01 volume  0.75585E-02 ppm1      1.124 ppm2      0.865 CV     1
 OR {  452}
   (  segid "    " and resid 48   and name HG2%)
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  459}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB1 ))
      3.600     1.600     1.600 peak   459 spectrum    1 weight  0.10000E+01 volume  0.12623E-02 ppm1      1.124 ppm2      2.199 CV     1
 OR {  459}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HB1 ))
 OR {  459}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  460}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HG  ))
      2.900     1.000     1.000 peak   460 spectrum    1 weight  0.10000E+01 volume  0.25834E-02 ppm1      1.125 ppm2      2.031 CV     1
 OR {  460}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  461}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HG  ))
      2.900     1.100     1.100 peak   461 spectrum    1 weight  0.10000E+01 volume  0.27401E-02 ppm1      1.125 ppm2      1.880 CV     1
 OR {  461}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  475}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 9    and name HB2 ))
      4.300     2.300     1.700 peak   475 spectrum    1 weight  0.10000E+01 volume  0.89140E-03 ppm1      1.413 ppm2      2.706 CV     1
 OR {  475}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB1 ))
 OR {  475}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  486}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HD2 ))
      4.100     2.100     1.900 peak   486 spectrum    1 weight  0.10000E+01 volume  0.41711E-03 ppm1      1.075 ppm2      3.334 CV     1
 OR {  486}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  490}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HA  ))
      2.400     0.700     0.700 peak   490 spectrum    1 weight  0.10000E+01 volume  0.67261E-02 ppm1      1.125 ppm2      3.954 CV     1
 OR {  490}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  492}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 12   and name HA  ))
      3.800     1.800     1.800 peak   492 spectrum    1 weight  0.10000E+01 volume  0.15990E-02 ppm1      1.036 ppm2      4.048 CV     1
 OR {  492}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 19   and name HA2 ))
 OR {  492}
   (  segid "    " and resid 15   and name HG1%)
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  503}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 48   and name HB  ))
      2.100     0.600     0.600 peak   503 spectrum    1 weight  0.10000E+01 volume  0.94108E-02 ppm1      1.125 ppm2      4.405 CV     1
 OR {  503}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  510}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 38   and name HA  ))
      4.000     2.000     2.000 peak   510 spectrum    1 weight  0.10000E+01 volume  0.50347E-03 ppm1      1.275 ppm2      4.691 CV     1
 OR {  510}
   (  segid "    " and resid 24   and name HG2%)
   (( segid "    " and resid 25   and name HA  ))
 ASSI {  517}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 33   and name HN  ))
      4.100     2.100     1.900 peak   517 spectrum    1 weight  0.10000E+01 volume  0.40282E-03 ppm1      1.075 ppm2      7.213 CV     1
 OR {  517}
   (  segid "    " and resid 70   and name HG2%)
   (  segid "    " and resid 30   and name HE% )
 ASSI {  528}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 35   and name HN  ))
      3.500     1.500     1.500 peak   528 spectrum    1 weight  0.10000E+01 volume  0.19987E-02 ppm1      1.072 ppm2      8.459 CV     1
 OR {  528}
   (  segid "    " and resid 70   and name HG2%)
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  530}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 14   and name HN  ))
      3.300     1.400     1.400 peak   530 spectrum    1 weight  0.10000E+01 volume  0.14329E-02 ppm1      1.125 ppm2      8.402 CV     1
 OR {  530}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 52   and name HN  ))
 ASSI {  532}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 50   and name HN  ))
      4.400     2.500     1.600 peak   532 spectrum    1 weight  0.10000E+01 volume  0.47489E-03 ppm1      1.127 ppm2      8.219 CV     1
 OR {  532}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 16   and name HN  ))
 OR {  532}
   (  segid "    " and resid 48   and name HG2%)
   (( segid "    " and resid 46   and name HN  ))
 ASSI {  537}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 22   and name HN  ))
      3.700     1.700     1.700 peak   537 spectrum    1 weight  0.10000E+01 volume  0.11044E-02 ppm1      1.238 ppm2      8.503 CV     1
 OR {  537}
   (  segid "    " and resid 21   and name HG2%)
   (( segid "    " and resid 23   and name HN  ))
 ASSI {  553}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 14   and name HB2 ))
      3.000     1.200     1.200 peak   553 spectrum    1 weight  0.10000E+01 volume  0.25328E-02 ppm1      1.111 ppm2      1.448 CV     1
 OR {  553}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 26   and name HB1 ))
 ASSI {  555}
   (  segid "    " and resid 74   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
      2.900     1.000     1.000 peak   555 spectrum    1 weight  0.10000E+01 volume  0.21140E-02 ppm1      1.063 ppm2      1.512 CV     1
 OR {  555}
   (  segid "    " and resid 74   and name HD2%)
   (  segid "    " and resid 49   and name HB% )
 OR {  555}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 60   and name HG11))
 ASSI {  575}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 65   and name HA  ))
      3.200     1.300     1.300 peak   575 spectrum    1 weight  0.10000E+01 volume  0.13750E-02 ppm1      1.063 ppm2      3.960 CV     1
 OR {  575}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 49   and name HA  ))
 OR {  575}
   (  segid "    " and resid 74   and name HD1%)
   (( segid "    " and resid 49   and name HA  ))
 OR {  575}
   (  segid "    " and resid 74   and name HD2%)
   (( segid "    " and resid 65   and name HA  ))
 ASSI {  594}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 11   and name HE  ))
      4.300     2.400     1.700 peak   594 spectrum    1 weight  0.10000E+01 volume  0.32647E-03 ppm1      1.110 ppm2      7.325 CV     1
 OR {  594}
   (  segid "    " and resid 15   and name HG2%)
   (( segid "    " and resid 30   and name HZ  ))
 ASSI {  604}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 74   and name HG  ))
      2.800     1.000     1.000 peak   604 spectrum    1 weight  0.10000E+01 volume  0.28334E-02 ppm1      0.351 ppm2      0.973 CV     1
 OR {  604}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 64   and name HG1%)
 OR {  604}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  608}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 74   and name HG  ))
      3.500     1.600     1.600 peak   608 spectrum    1 weight  0.10000E+01 volume  0.17251E-02 ppm1      0.234 ppm2      0.969 CV     1
 OR {  608}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 64   and name HG1%)
 OR {  608}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  612}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB1 ))
      3.300     1.300     1.300 peak   612 spectrum    1 weight  0.10000E+01 volume  0.25066E-02 ppm1      0.690 ppm2      1.446 CV     1
 OR {  612}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  615}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HB2 ))
      3.200     1.300     1.300 peak   615 spectrum    1 weight  0.10000E+01 volume  0.10822E-02 ppm1      1.129 ppm2      1.880 CV     1
 OR {  615}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 72   and name HB1 ))
 OR {  615}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  627}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 75   and name HD2%)
      3.600     1.600     1.600 peak   627 spectrum    1 weight  0.10000E+01 volume  0.23744E-02 ppm1      1.381 ppm2      0.871 CV     1
 OR {  627}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 14   and name HD2%)
 ASSI {  628}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 31   and name HD2%)
      2.900     1.000     1.000 peak   628 spectrum    1 weight  0.10000E+01 volume  0.46568E-02 ppm1      1.382 ppm2      0.773 CV     1
 OR {  628}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 14   and name HD1%)
 OR {  628}
   (  segid "    " and resid 7    and name HG2%)
   (  segid "    " and resid 75   and name HD1%)
 ASSI {  636}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
      2.000     0.500     0.500 peak   636 spectrum    1 weight  0.10000E+01 volume  0.14755E-01 ppm1      1.037 ppm2      0.855 CV     1
 OR {  636}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
 OR {  636}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  637}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 14   and name HD1%)
      2.600     0.800     0.800 peak   637 spectrum    1 weight  0.10000E+01 volume  0.65903E-02 ppm1      1.037 ppm2      0.788 CV     1
 OR {  637}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 75   and name HD1%)
 OR {  637}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 78   and name HD1%)
 OR {  637}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  639}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 48   and name HG2%)
      2.400     0.700     0.700 peak   639 spectrum    1 weight  0.10000E+01 volume  0.70746E-02 ppm1      0.758 ppm2      1.120 CV     1
 OR {  639}
   (  segid "    " and resid 14   and name HD1%)
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  642}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HB2 ))
      2.500     0.800     0.800 peak   642 spectrum    1 weight  0.10000E+01 volume  0.56091E-02 ppm1      0.690 ppm2      1.256 CV     1
 OR {  642}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 24   and name HG2%)
 ASSI {  647}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 45   and name HB2 ))
      3.200     1.300     1.300 peak   647 spectrum    1 weight  0.10000E+01 volume  0.30043E-02 ppm1      0.352 ppm2      1.503 CV     1
 OR {  647}
   (  segid "    " and resid 45   and name HD2%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  652}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 14   and name HD2%)
      2.400     0.700     0.700 peak   652 spectrum    1 weight  0.10000E+01 volume  0.55404E-02 ppm1      0.690 ppm2      0.882 CV     1
 OR {  652}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 38   and name HD1%)
 ASSI {  655}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB2 ))
      3.000     1.200     1.200 peak   655 spectrum    1 weight  0.10000E+01 volume  0.48107E-02 ppm1      1.035 ppm2      1.446 CV     1
 OR {  655}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  659}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 71   and name HG2 ))
      4.200     2.200     1.800 peak   659 spectrum    1 weight  0.10000E+01 volume  0.49638E-03 ppm1      0.756 ppm2      1.333 CV     1
 OR {  659}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
 ASSI {  660}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 7    and name HG2%)
      5.100     3.300     0.900 peak   660 spectrum    1 weight  0.10000E+01 volume  0.38930E-03 ppm1      0.690 ppm2      1.363 CV     1
 OR {  660}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 45   and name HG  ))
 ASSI {  661}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 13   and name HB% )
      2.200     0.600     0.600 peak   661 spectrum    1 weight  0.10000E+01 volume  0.11389E-01 ppm1      1.038 ppm2      1.670 CV     1
 OR {  661}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
 OR {  661}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  662}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
      2.400     0.700     0.700 peak   662 spectrum    1 weight  0.10000E+01 volume  0.61291E-02 ppm1      1.041 ppm2      1.556 CV     1
 OR {  662}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
 OR {  662}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 5    and name HB1 ))
 OR {  662}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 5    and name HG  ))
 OR {  662}
   (  segid "    " and resid 52   and name HD2%)
   (  segid "    " and resid 49   and name HB% )
 ASSI {  663}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HG  ))
      2.200     0.600     0.600 peak   663 spectrum    1 weight  0.10000E+01 volume  0.74248E-02 ppm1      1.035 ppm2      2.027 CV     1
 OR {  663}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 52   and name HG  ))
 ASSI {  664}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
      2.100     0.600     0.600 peak   664 spectrum    1 weight  0.10000E+01 volume  0.99251E-02 ppm1      1.043 ppm2      1.885 CV     1
 OR {  664}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HB1 ))
 ASSI {  667}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HB1 ))
      2.600     0.800     0.800 peak   667 spectrum    1 weight  0.10000E+01 volume  0.30307E-02 ppm1      1.036 ppm2      2.215 CV     1
 OR {  667}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 51   and name HB1 ))
 OR {  667}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HB1 ))
 ASSI {  672}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 31   and name HB1 ))
      3.400     1.400     1.400 peak   672 spectrum    1 weight  0.10000E+01 volume  0.22047E-02 ppm1      0.457 ppm2      1.627 CV     1
 OR {  672}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  676}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HG  ))
      2.300     0.600     0.600 peak   676 spectrum    1 weight  0.10000E+01 volume  0.62257E-02 ppm1      0.758 ppm2      1.881 CV     1
 OR {  676}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  683}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 40   and name HB2 ))
      3.600     1.600     1.600 peak   683 spectrum    1 weight  0.10000E+01 volume  0.54232E-03 ppm1      0.353 ppm2      2.794 CV     1
 OR {  683}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 71   and name HD2 ))
 OR {  683}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {  685}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 68   and name HB  ))
      4.500     2.600     1.500 peak   685 spectrum    1 weight  0.10000E+01 volume  0.41589E-03 ppm1      0.355 ppm2      2.422 CV     1
 OR {  685}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  686}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 68   and name HB  ))
      4.100     2.200     1.900 peak   686 spectrum    1 weight  0.10000E+01 volume  0.69915E-03 ppm1      0.235 ppm2      2.410 CV     1
 OR {  686}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI {  707}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 35   and name HB1 ))
      2.900     2.900     3.100 peak   707 spectrum    1 weight  0.10000E+01 volume  0.90437E-03 ppm1      0.353 ppm2      3.579 CV     1
 OR {  707}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 61   and name HD2 ))
 ASSI {  711}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      3.000     1.100     1.100 peak   711 spectrum    1 weight  0.10000E+01 volume  0.25507E-02 ppm1      0.235 ppm2      3.888 CV     1
 OR {  711}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  714}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 45   and name HA  ))
      4.500     2.500     1.500 peak   714 spectrum    1 weight  0.10000E+01 volume  0.47077E-03 ppm1      0.757 ppm2      3.901 CV     1
 OR {  714}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  716}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
      3.300     1.400     1.400 peak   716 spectrum    1 weight  0.10000E+01 volume  0.14077E-02 ppm1      1.042 ppm2      3.890 CV     1
 OR {  716}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
 OR {  716}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI {  720}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HA  ))
      3.300     1.400     1.400 peak   720 spectrum    1 weight  0.10000E+01 volume  0.13607E-02 ppm1      0.352 ppm2      4.258 CV     1
 OR {  720}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 42   and name HA  ))
 OR {  720}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  722}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 42   and name HA  ))
      3.800     1.800     1.800 peak   722 spectrum    1 weight  0.10000E+01 volume  0.90674E-03 ppm1      0.235 ppm2      4.257 CV     1
 OR {  722}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 46   and name HA  ))
 OR {  722}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  723}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HA  ))
      3.800     1.800     1.800 peak   723 spectrum    1 weight  0.10000E+01 volume  0.66946E-03 ppm1      0.233 ppm2      4.390 CV     1
 OR {  723}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
 OR {  723}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  725}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 7    and name HB  ))
      3.100     1.200     1.200 peak   725 spectrum    1 weight  0.10000E+01 volume  0.62995E-03 ppm1      0.456 ppm2      4.310 CV     1
 OR {  725}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  726}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
      4.500     2.500     1.500 peak   726 spectrum    1 weight  0.10000E+01 volume  0.50188E-03 ppm1      0.456 ppm2      4.226 CV     1
 OR {  726}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  727}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 25   and name HA  ))
      4.700     2.700     1.300 peak   727 spectrum    1 weight  0.10000E+01 volume  0.55404E-03 ppm1      0.689 ppm2      4.720 CV     1
 OR {  727}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 30   and name HA  ))
 ASSI {  730}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 24   and name HB  ))
      4.200     2.200     1.800 peak   730 spectrum    1 weight  0.10000E+01 volume  0.58441E-03 ppm1      0.690 ppm2      4.229 CV     1
 OR {  730}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 OR {  730}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 28   and name HA1 ))
 ASSI {  731}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.800     0.800 peak   731 spectrum    1 weight  0.10000E+01 volume  0.74103E-02 ppm1      0.758 ppm2      4.396 CV     1
 OR {  731}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
 OR {  731}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  732}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      4.300     2.300     1.700 peak   732 spectrum    1 weight  0.10000E+01 volume  0.49075E-03 ppm1      0.760 ppm2      4.218 CV     1
 OR {  732}
   (  segid "    " and resid 14   and name HD1%)
   (( segid "    " and resid 71   and name HA  ))
 ASSI {  740}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 56   and name HA  ))
      3.100     1.200     1.200 peak   740 spectrum    1 weight  0.10000E+01 volume  0.63362E-03 ppm1      0.986 ppm2      4.680 CV     1
 OR {  740}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  741}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 5    and name HA  ))
      5.100     3.200     0.900 peak   741 spectrum    1 weight  0.10000E+01 volume  0.43079E-03 ppm1      1.035 ppm2      4.521 CV     1
 OR {  741}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  742}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 48   and name HB  ))
      3.700     1.700     1.700 peak   742 spectrum    1 weight  0.10000E+01 volume  0.12837E-02 ppm1      1.038 ppm2      4.405 CV     1
 OR {  742}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 13   and name HA  ))
 OR {  742}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 14   and name HA  ))
 OR {  742}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  744}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      2.000     0.500     0.500 peak   744 spectrum    1 weight  0.10000E+01 volume  0.10853E-01 ppm1      1.042 ppm2      4.209 CV     1
 OR {  744}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  749}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 74   and name HA  ))
      2.600     0.800     0.800 peak   749 spectrum    1 weight  0.10000E+01 volume  0.45526E-02 ppm1      1.130 ppm2      4.304 CV     1
 OR {  749}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HA  ))
 ASSI {  754}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
      4.800     2.900     1.200 peak   754 spectrum    1 weight  0.10000E+01 volume  0.27596E-03 ppm1      0.882 ppm2      4.486 CV     1
 OR {  754}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  766}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
      4.500     2.500     1.500 peak   766 spectrum    1 weight  0.10000E+01 volume  0.43604E-03 ppm1      0.688 ppm2      6.948 CV     1
 OR {  766}
   (  segid "    " and resid 26   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
 ASSI {  771}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH22))
      4.700     2.800     1.300 peak   771 spectrum    1 weight  0.10000E+01 volume  0.48292E-03 ppm1      0.457 ppm2      6.899 CV     1
 OR {  771}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH11))
 OR {  771}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH21))
 OR {  771}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
 OR {  771}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 72   and name HH12))
 OR {  771}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  774}
   (  segid "    " and resid 31   and name HD1%)
   (  segid "    " and resid 30   and name HE% )
      3.400     1.500     1.500 peak   774 spectrum    1 weight  0.10000E+01 volume  0.16150E-02 ppm1      0.456 ppm2      7.213 CV     1
 OR {  774}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 33   and name HN  ))
 ASSI {  779}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 35   and name HE% )
      3.700     1.700     1.700 peak   779 spectrum    1 weight  0.10000E+01 volume  0.13015E-02 ppm1      0.235 ppm2      6.942 CV     1
 OR {  779}
   (  segid "    " and resid 45   and name HD1%)
   (  segid "    " and resid 40   and name HD% )
 ASSI {  788}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 30   and name HZ  ))
      4.400     2.400     1.600 peak   788 spectrum    1 weight  0.10000E+01 volume  0.66088E-03 ppm1      1.041 ppm2      7.329 CV     1
 OR {  788}
   (  segid "    " and resid 10   and name HD1%)
   (  segid "    " and resid 30   and name HD% )
 OR {  788}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 79   and name HD21))
 OR {  788}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 79   and name HD21))
 ASSI {  790}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 67   and name HN  ))
      3.700     1.700     1.700 peak   790 spectrum    1 weight  0.10000E+01 volume  0.17162E-02 ppm1      1.130 ppm2      7.481 CV     1
 OR {  790}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 70   and name HN  ))
 ASSI {  792}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 13   and name HN  ))
      3.700     1.700     1.700 peak   792 spectrum    1 weight  0.10000E+01 volume  0.10763E-02 ppm1      1.038 ppm2      7.705 CV     1
 OR {  792}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 74   and name HN  ))
 ASSI {  797}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
      4.500     2.600     1.500 peak   797 spectrum    1 weight  0.10000E+01 volume  0.56881E-03 ppm1      0.880 ppm2      8.275 CV     1
 OR {  797}
   (  segid "    " and resid 4    and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
 ASSI {  803}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 15   and name HN  ))
      3.900     1.900     1.900 peak   803 spectrum    1 weight  0.10000E+01 volume  0.12905E-02 ppm1      0.689 ppm2      8.456 CV     1
 OR {  803}
   (  segid "    " and resid 26   and name HD1%)
   (( segid "    " and resid 26   and name HN  ))
 ASSI {  804}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 30   and name HN  ))
      4.200     2.200     1.800 peak   804 spectrum    1 weight  0.10000E+01 volume  0.45090E-03 ppm1      0.454 ppm2      8.052 CV     1
 OR {  804}
   (  segid "    " and resid 31   and name HD1%)
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  806}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 46   and name HN  ))
      4.100     2.100     1.900 peak   806 spectrum    1 weight  0.10000E+01 volume  0.49597E-03 ppm1      0.352 ppm2      8.218 CV     1
 OR {  806}
   (  segid "    " and resid 45   and name HD2%)
   (( segid "    " and resid 65   and name HN  ))
 ASSI {  807}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 45   and name HN  ))
      4.600     2.700     1.400 peak   807 spectrum    1 weight  0.10000E+01 volume  0.70731E-03 ppm1      0.234 ppm2      8.462 CV     1
 OR {  807}
   (  segid "    " and resid 45   and name HD1%)
   (( segid "    " and resid 35   and name HN  ))
 ASSI {  812}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 83   and name HN  ))
      3.100     1.200     1.200 peak   812 spectrum    1 weight  0.10000E+01 volume  0.61818E-03 ppm1      0.986 ppm2      7.955 CV     1
 OR {  812}
   (  segid "    " and resid 82   and name HD2%)
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  813}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      4.000     2.000     2.000 peak   813 spectrum    1 weight  0.10000E+01 volume  0.13572E-02 ppm1      1.041 ppm2      8.074 CV     1
 OR {  813}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  814}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 77   and name HN  ))
      4.900     3.000     1.100 peak   814 spectrum    1 weight  0.10000E+01 volume  0.47460E-03 ppm1      1.130 ppm2      8.012 CV     1
 OR {  814}
   (  segid "    " and resid 68   and name HG1%)
   (( segid "    " and resid 66   and name HN  ))
 ASSI {  821}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 11   and name HN  ))
      3.700     1.700     1.700 peak   821 spectrum    1 weight  0.10000E+01 volume  0.13075E-02 ppm1      1.382 ppm2      8.828 CV     1
 OR {  821}
   (  segid "    " and resid 7    and name HG2%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  823}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 52   and name HN  ))
      3.300     1.400     1.400 peak   823 spectrum    1 weight  0.10000E+01 volume  0.22129E-02 ppm1      1.036 ppm2      8.413 CV     1
 OR {  823}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 14   and name HN  ))
 ASSI {  827}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 75   and name HN  ))
      4.300     2.300     1.700 peak   827 spectrum    1 weight  0.10000E+01 volume  0.52559E-03 ppm1      1.040 ppm2      8.731 CV     1
 OR {  827}
   (  segid "    " and resid 10   and name HD1%)
   (( segid "    " and resid 49   and name HN  ))
 OR {  827}
   (  segid "    " and resid 52   and name HD2%)
   (( segid "    " and resid 49   and name HN  ))
 ASSI {  837}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 58   and name HG1%)
      3.600     1.600     1.600 peak   837 spectrum    1 weight  0.10000E+01 volume  0.33956E-02 ppm1      0.643 ppm2      0.901 CV     1
 OR {  837}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 75   and name HD2%)
 OR {  837}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 4    and name HD1%)
 ASSI {  838}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 78   and name HG2%)
      2.200     0.600     0.600 peak   838 spectrum    1 weight  0.10000E+01 volume  0.54867E-02 ppm1      0.603 ppm2      0.868 CV     1
 OR {  838}
   (  segid "    " and resid 5    and name HD1%)
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  851}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 31   and name HB1 ))
      2.500     0.800     0.800 peak   851 spectrum    1 weight  0.10000E+01 volume  0.50637E-02 ppm1      0.778 ppm2      1.624 CV     1
 OR {  851}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  853}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 75   and name HB2 ))
      2.200     0.600     0.600 peak   853 spectrum    1 weight  0.10000E+01 volume  0.77645E-02 ppm1      0.791 ppm2      1.561 CV     1
 OR {  853}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
 OR {  853}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HB1 ))
 OR {  853}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI {  865}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 77   and name HA  ))
      2.300     0.700     0.700 peak   865 spectrum    1 weight  0.10000E+01 volume  0.60739E-02 ppm1      0.958 ppm2      4.279 CV     1
 OR {  865}
   (  segid "    " and resid 77   and name HD2%)
   (( segid "    " and resid 77   and name HA  ))
 OR {  865}
   (  segid "    " and resid 77   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  880}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 3    and name HB  ))
      3.400     1.400     1.400 peak   880 spectrum    1 weight  0.10000E+01 volume  0.10483E-02 ppm1      0.643 ppm2      4.207 CV     1
 OR {  880}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 OR {  880}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  881}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.700     1.700     1.700 peak   881 spectrum    1 weight  0.10000E+01 volume  0.79727E-03 ppm1      0.607 ppm2      4.208 CV     1
 OR {  881}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  883}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 5    and name HA  ))
      3.900     1.900     1.900 peak   883 spectrum    1 weight  0.10000E+01 volume  0.19162E-02 ppm1      0.604 ppm2      4.526 CV     1
 OR {  883}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  886}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH22))
      3.800     1.800     1.800 peak   886 spectrum    1 weight  0.10000E+01 volume  0.17883E-02 ppm1      0.778 ppm2      6.899 CV     1
 OR {  886}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH11))
 OR {  886}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH21))
 OR {  886}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 72   and name HH12))
 OR {  886}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 35   and name HZ  ))
 ASSI {  900}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
      3.800     1.800     1.800 peak   900 spectrum    1 weight  0.10000E+01 volume  0.71278E-03 ppm1      0.791 ppm2      8.852 CV     1
 OR {  900}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  906}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 78   and name HN  ))
      5.200     3.400     0.800 peak   906 spectrum    1 weight  0.10000E+01 volume  0.41138E-03 ppm1      0.600 ppm2      8.263 CV     1
 OR {  906}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 82   and name HN  ))
 ASSI {  907}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HN  ))
      4.700     2.800     1.300 peak   907 spectrum    1 weight  0.10000E+01 volume  0.39049E-03 ppm1      0.603 ppm2      8.067 CV     1
 OR {  907}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  921}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 7    and name HB  ))
      3.600     1.600     1.600 peak   921 spectrum    1 weight  0.10000E+01 volume  0.32304E-03 ppm1      0.779 ppm2      4.316 CV     1
 OR {  921}
   (  segid "    " and resid 31   and name HD2%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  924}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 7    and name HB  ))
      4.300     2.300     1.700 peak   924 spectrum    1 weight  0.10000E+01 volume  0.35573E-03 ppm1      0.793 ppm2      4.329 CV     1
 OR {  924}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 74   and name HA  ))
 ASSI {  925}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.300     1.400     1.400 peak   925 spectrum    1 weight  0.10000E+01 volume  0.52357E-03 ppm1      0.794 ppm2      4.221 CV     1
 OR {  925}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 73   and name HA  ))
 OR {  925}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
 ASSI {  945}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 10   and name HB1 ))
      4.800     2.900     1.200 peak   945 spectrum    1 weight  0.10000E+01 volume  0.49322E-03 ppm1      0.608 ppm2      2.336 CV     1
 OR {  945}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 53   and name HG2 ))
 OR {  945}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 53   and name HB2 ))
 ASSI {  948}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 78   and name HG11))
      3.300     1.400     1.400 peak   948 spectrum    1 weight  0.10000E+01 volume  0.11250E-02 ppm1      0.602 ppm2      1.702 CV     1
 OR {  948}
   (  segid "    " and resid 5    and name HD1%)
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  949}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
      4.400     2.400     1.600 peak   949 spectrum    1 weight  0.10000E+01 volume  0.89471E-03 ppm1      0.643 ppm2      1.686 CV     1
 OR {  949}
   (  segid "    " and resid 5    and name HD2%)
   (  segid "    " and resid 13   and name HB% )
 OR {  949}
   (  segid "    " and resid 5    and name HD2%)
   (( segid "    " and resid 4    and name HG  ))
 ASSI {  951}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 10   and name HG  ))
      3.500     1.500     1.500 peak   951 spectrum    1 weight  0.10000E+01 volume  0.68660E-03 ppm1      0.794 ppm2      1.908 CV     1
 OR {  951}
   (  segid "    " and resid 75   and name HD1%)
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  968}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 26   and name HN  ))
      3.500     1.500     1.500 peak   968 spectrum    1 weight  0.10000E+01 volume  0.17180E-02 ppm1      1.579 ppm2      8.462 CV     1
 OR {  968}
   (( segid "    " and resid 26   and name HG  ))
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  969}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 76   and name HN  ))
      3.900     1.900     1.900 peak   969 spectrum    1 weight  0.10000E+01 volume  0.92647E-03 ppm1      1.687 ppm2      8.713 CV     1
 OR {  969}
   (( segid "    " and resid 75   and name HG  ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI {  974}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 7    and name HN  ))
      4.200     2.200     1.800 peak   974 spectrum    1 weight  0.10000E+01 volume  0.47802E-03 ppm1      0.870 ppm2      8.849 CV     1
 OR {  974}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 79   and name HN  ))
 ASSI {  975}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HN  ))
      3.700     1.800     1.800 peak   975 spectrum    1 weight  0.10000E+01 volume  0.24844E-02 ppm1      0.871 ppm2      8.717 CV     1
 OR {  975}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 76   and name HN  ))
 ASSI {  976}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HN  ))
      3.700     1.700     1.700 peak   976 spectrum    1 weight  0.10000E+01 volume  0.11143E-02 ppm1      0.797 ppm2      8.459 CV     1
 OR {  976}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 15   and name HN  ))
 ASSI {  981}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 51   and name HN  ))
      4.400     2.400     1.600 peak   981 spectrum    1 weight  0.10000E+01 volume  0.40807E-03 ppm1      0.862 ppm2      8.107 CV     1
 OR {  981}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 56   and name HN  ))
 OR {  981}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 55   and name HN  ))
 ASSI {  984}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 83   and name HN  ))
      3.400     1.400     1.400 peak   984 spectrum    1 weight  0.10000E+01 volume  0.33672E-03 ppm1      0.980 ppm2      7.962 CV     1
 OR {  984}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 57   and name HN  ))
 ASSI {  992}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HD22))
      3.300     1.300     1.300 peak   992 spectrum    1 weight  0.10000E+01 volume  0.18980E-02 ppm1      0.872 ppm2      7.672 CV     1
 OR {  992}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 79   and name HD22))
 ASSI {  997}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HD21))
      3.700     1.700     1.700 peak   997 spectrum    1 weight  0.10000E+01 volume  0.19579E-02 ppm1      0.873 ppm2      7.330 CV     1
 OR {  997}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 79   and name HD21))
 ASSI { 1000}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 40   and name HD% )
      4.800     2.900     1.200 peak  1000 spectrum    1 weight  0.10000E+01 volume  0.25138E-03 ppm1      0.796 ppm2      6.947 CV     1
 OR { 1000}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 35   and name HE% )
 ASSI { 1012}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HA  ))
      3.900     1.900     1.900 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.13461E-02 ppm1      0.979 ppm2      4.212 CV     1
 OR { 1012}
   (( segid "    " and resid 74   and name HG  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1013}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 14   and name HA  ))
      3.700     1.700     1.700 peak  1013 spectrum    1 weight  0.10000E+01 volume  0.11130E-02 ppm1      0.892 ppm2      4.394 CV     1
 OR { 1013}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 48   and name HB  ))
 OR { 1013}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 35   and name HA  ))
 ASSI { 1014}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
      4.000     2.000     2.000 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.65732E-03 ppm1      0.892 ppm2      4.221 CV     1
 OR { 1014}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 OR { 1014}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 OR { 1014}
   (  segid "    " and resid 14   and name HD2%)
   (( segid "    " and resid 16   and name HA  ))
 ASSI { 1015}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 76   and name HA  ))
      4.200     2.200     1.800 peak  1015 spectrum    1 weight  0.10000E+01 volume  0.73432E-03 ppm1      0.872 ppm2      4.487 CV     1
 OR { 1015}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 76   and name HA  ))
 ASSI { 1017}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak  1017 spectrum    1 weight  0.10000E+01 volume  0.12030E-02 ppm1      0.865 ppm2      4.214 CV     1
 OR { 1017}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 51   and name HA  ))
 ASSI { 1020}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 17   and name HB2 ))
      4.500     2.500     1.500 peak  1020 spectrum    1 weight  0.10000E+01 volume  0.31119E-03 ppm1      0.797 ppm2      4.062 CV     1
 OR { 1020}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 23   and name HA2 ))
 ASSI { 1023}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
      3.000     1.100     1.100 peak  1023 spectrum    1 weight  0.10000E+01 volume  0.36768E-02 ppm1      0.872 ppm2      3.882 CV     1
 OR { 1023}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
 OR { 1023}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 1039}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB1 ))
      3.000     1.100     1.100 peak  1039 spectrum    1 weight  0.10000E+01 volume  0.16921E-02 ppm1      1.058 ppm2      3.291 CV     1
 OR { 1039}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 1040}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
      3.600     1.600     1.600 peak  1040 spectrum    1 weight  0.10000E+01 volume  0.14321E-02 ppm1      1.061 ppm2      3.010 CV     1
 OR { 1040}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 37   and name HB2 ))
 OR { 1040}
   (  segid "    " and resid 33   and name HD2%)
   (( segid "    " and resid 32   and name HB1 ))
 ASSI { 1050}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 53   and name HG1 ))
      4.000     2.000     2.000 peak  1050 spectrum    1 weight  0.10000E+01 volume  0.83357E-03 ppm1      0.873 ppm2      2.761 CV     1
 OR { 1050}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 56   and name HB2 ))
 OR { 1050}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 79   and name HB2 ))
 OR { 1050}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 79   and name HB2 ))
 ASSI { 1051}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 30   and name HB2 ))
      4.800     2.900     1.200 peak  1051 spectrum    1 weight  0.10000E+01 volume  0.32051E-03 ppm1      0.802 ppm2      3.022 CV     1
 OR { 1051}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 1053}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 74   and name HB1 ))
      3.500     1.500     1.500 peak  1053 spectrum    1 weight  0.10000E+01 volume  0.91041E-03 ppm1      0.875 ppm2      2.446 CV     1
 OR { 1053}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 1054}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB1 ))
      2.100     0.600     0.600 peak  1054 spectrum    1 weight  0.10000E+01 volume  0.10704E-01 ppm1      0.869 ppm2      2.199 CV     1
 OR { 1054}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 1056}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
      1.900     0.500     0.500 peak  1056 spectrum    1 weight  0.10000E+01 volume  0.22683E-01 ppm1      0.871 ppm2      1.686 CV     1
 OR { 1056}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 13   and name HB% )
 ASSI { 1057}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.300     0.700     0.700 peak  1057 spectrum    1 weight  0.10000E+01 volume  0.84839E-02 ppm1      0.871 ppm2      1.545 CV     1
 OR { 1057}
   (  segid "    " and resid 52   and name HD1%)
   (( segid "    " and resid 10   and name HB2 ))
 OR { 1057}
   (  segid "    " and resid 52   and name HD1%)
   (  segid "    " and resid 49   and name HB% )
 OR { 1057}
   (  segid "    " and resid 75   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 1062}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 26   and name HB1 ))
      2.700     0.900     0.900 peak  1062 spectrum    1 weight  0.10000E+01 volume  0.34517E-02 ppm1      0.798 ppm2      1.448 CV     1
 OR { 1062}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 1063}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 13   and name HB% )
      4.300     2.300     1.700 peak  1063 spectrum    1 weight  0.10000E+01 volume  0.76287E-03 ppm1      0.792 ppm2      1.676 CV     1
 OR { 1063}
   (  segid "    " and resid 26   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 1074}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 82   and name HB2 ))
      2.600     0.800     0.800 peak  1074 spectrum    1 weight  0.10000E+01 volume  0.36663E-02 ppm1      0.980 ppm2      1.554 CV     1
 OR { 1074}
   (  segid "    " and resid 82   and name HD1%)
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 1082}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.000     1.100     1.100 peak  1082 spectrum    1 weight  0.10000E+01 volume  0.19102E-02 ppm1      2.034 ppm2      2.216 CV     1
 OR { 1082}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 1084}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 15   and name HG2%)
      3.000     1.100     1.100 peak  1084 spectrum    1 weight  0.10000E+01 volume  0.24448E-02 ppm1      0.798 ppm2      1.124 CV     1
 OR { 1084}
   (  segid "    " and resid 26   and name HD2%)
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 1085}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 38   and name HD1%)
      2.900     1.000     1.000 peak  1085 spectrum    1 weight  0.10000E+01 volume  0.12852E-02 ppm1      2.179 ppm2      0.874 CV     1
 OR { 1085}
   (( segid "    " and resid 71   and name HG1 ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 1088}
   (( segid "    " and resid 52   and name HG  ))
   (  segid "    " and resid 48   and name HG2%)
      3.400     1.500     1.500 peak  1088 spectrum    1 weight  0.10000E+01 volume  0.83615E-03 ppm1      2.037 ppm2      1.131 CV     1
 OR { 1088}
   (( segid "    " and resid 52   and name HG  ))
   (( segid "    " and resid 60   and name HG12))
 ASSI { 1094}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 38   and name HD1%)
      3.100     1.200     1.200 peak  1094 spectrum    1 weight  0.10000E+01 volume  0.12028E-02 ppm1      1.313 ppm2      0.879 CV     1
 OR { 1094}
   (( segid "    " and resid 71   and name HG2 ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 1104}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 56   and name HN  ))
      4.100     2.100     1.900 peak  1104 spectrum    1 weight  0.10000E+01 volume  0.73184E-03 ppm1      0.984 ppm2      8.096 CV     1
 OR { 1104}
   (( segid "    " and resid 55   and name HG2 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1109}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 11   and name HE  ))
      3.300     1.400     1.400 peak  1109 spectrum    1 weight  0.10000E+01 volume  0.11490E-02 ppm1      1.162 ppm2      7.322 CV     1
 OR { 1109}
   (( segid "    " and resid 11   and name HG2 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1112}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 11   and name HE  ))
      3.300     1.400     1.400 peak  1112 spectrum    1 weight  0.10000E+01 volume  0.76933E-03 ppm1      1.399 ppm2      7.322 CV     1
 OR { 1112}
   (( segid "    " and resid 11   and name HG1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1114}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 56   and name HN  ))
      3.700     1.700     1.700 peak  1114 spectrum    1 weight  0.10000E+01 volume  0.15635E-02 ppm1      1.361 ppm2      8.096 CV     1
 OR { 1114}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 1115}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 38   and name HN  ))
      2.200     0.600     0.600 peak  1115 spectrum    1 weight  0.10000E+01 volume  0.32257E-02 ppm1      1.537 ppm2      7.712 CV     1
 OR { 1115}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1119}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HN  ))
      2.900     1.100     1.100 peak  1119 spectrum    1 weight  0.10000E+01 volume  0.31991E-02 ppm1      1.826 ppm2      7.712 CV     1
 OR { 1119}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1136}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 74   and name HN  ))
      4.800     2.900     1.200 peak  1136 spectrum    1 weight  0.10000E+01 volume  0.34484E-03 ppm1      1.123 ppm2      7.710 CV     1
 OR { 1136}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 13   and name HN  ))
 ASSI { 1139}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.300     1.700 peak  1139 spectrum    1 weight  0.10000E+01 volume  0.32879E-03 ppm1      1.884 ppm2      8.835 CV     1
 OR { 1139}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 1150}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.700     1.700     1.700 peak  1150 spectrum    1 weight  0.10000E+01 volume  0.54723E-03 ppm1      1.889 ppm2      7.331 CV     1
 OR { 1150}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1151}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 30   and name HE% )
      3.600     1.600     1.600 peak  1151 spectrum    1 weight  0.10000E+01 volume  0.68769E-03 ppm1      1.890 ppm2      7.211 CV     1
 OR { 1151}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 1168}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 35   and name HA  ))
      3.000     1.100     1.100 peak  1168 spectrum    1 weight  0.10000E+01 volume  0.27641E-02 ppm1      1.826 ppm2      4.369 CV     1
 OR { 1168}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1169}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 10   and name HA  ))
      3.400     1.400     1.400 peak  1169 spectrum    1 weight  0.10000E+01 volume  0.11016E-02 ppm1      1.880 ppm2      4.208 CV     1
 OR { 1169}
   (( segid "    " and resid 10   and name HG  ))
   (( segid "    " and resid 71   and name HA  ))
 ASSI { 1170}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 14   and name HA  ))
      3.200     1.200     1.200 peak  1170 spectrum    1 weight  0.10000E+01 volume  0.99566E-03 ppm1      1.881 ppm2      4.397 CV     1
 OR { 1170}
   (( segid "    " and resid 14   and name HG  ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI { 1187}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 42   and name HA  ))
      4.100     2.100     1.900 peak  1187 spectrum    1 weight  0.10000E+01 volume  0.11088E-02 ppm1      1.349 ppm2      4.264 CV     1
 OR { 1187}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1188}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HA  ))
      3.100     1.200     1.200 peak  1188 spectrum    1 weight  0.10000E+01 volume  0.22026E-02 ppm1      1.124 ppm2      3.880 CV     1
 OR { 1188}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 7    and name HA  ))
 ASSI { 1189}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 71   and name HA  ))
      3.200     1.200     1.200 peak  1189 spectrum    1 weight  0.10000E+01 volume  0.22508E-02 ppm1      1.124 ppm2      4.220 CV     1
 OR { 1189}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HA  ))
 ASSI { 1211}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 76   and name HB1 ))
      3.000     1.100     1.100 peak  1211 spectrum    1 weight  0.10000E+01 volume  0.58425E-03 ppm1      1.826 ppm2      2.788 CV     1
 OR { 1211}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 40   and name HB2 ))
 OR { 1211}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 1220}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 40   and name HB2 ))
      4.100     2.100     1.900 peak  1220 spectrum    1 weight  0.10000E+01 volume  0.77645E-03 ppm1      1.348 ppm2      2.790 CV     1
 OR { 1220}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 1221}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HD1 ))
      2.900     1.000     1.000 peak  1221 spectrum    1 weight  0.10000E+01 volume  0.22664E-02 ppm1      1.359 ppm2      3.090 CV     1
 OR { 1221}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI { 1222}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HD2 ))
      2.600     0.900     0.900 peak  1222 spectrum    1 weight  0.10000E+01 volume  0.24760E-02 ppm1      1.361 ppm2      3.011 CV     1
 OR { 1222}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 40   and name HB1 ))
 ASSI { 1240}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD2%)
      2.200     0.600     0.600 peak  1240 spectrum    1 weight  0.10000E+01 volume  0.73695E-02 ppm1      1.891 ppm2      1.124 CV     1
 OR { 1240}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 1241}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 10   and name HD1%)
      2.500     0.800     0.800 peak  1241 spectrum    1 weight  0.10000E+01 volume  0.40131E-02 ppm1      1.886 ppm2      1.042 CV     1
 OR { 1241}
   (( segid "    " and resid 14   and name HG  ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1241}
   (( segid "    " and resid 10   and name HG  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1246}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 38   and name HG2%)
      3.500     1.500     1.500 peak  1246 spectrum    1 weight  0.10000E+01 volume  0.20190E-02 ppm1      1.828 ppm2      1.054 CV     1
 OR { 1246}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 1246}
   (( segid "    " and resid 77   and name HG  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1249}
   (( segid "    " and resid 38   and name HG11))
   (  segid "    " and resid 38   and name HD1%)
      2.200     0.600     0.600 peak  1249 spectrum    1 weight  0.10000E+01 volume  0.62789E-02 ppm1      1.828 ppm2      0.871 CV     1
 OR { 1249}
   (( segid "    " and resid 82   and name HG  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1252}
   (( segid "    " and resid 38   and name HG11))
   (( segid "    " and resid 38   and name HG12))
      1.600     0.300     0.600 peak  1252 spectrum    1 weight  0.10000E+01 volume  0.11847E-01 ppm1      1.826 ppm2      1.540 CV     1
 OR { 1252}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HB2 ))
 ASSI { 1255}
   (( segid "    " and resid 5    and name HG  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.100     0.500     0.500 peak  1255 spectrum    1 weight  0.10000E+01 volume  0.72740E-02 ppm1      1.556 ppm2      1.358 CV     1
 OR { 1255}
   (( segid "    " and resid 38   and name HG12))
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 1268}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 75   and name HD2%)
      3.100     1.200     1.200 peak  1268 spectrum    1 weight  0.10000E+01 volume  0.39778E-02 ppm1      1.123 ppm2      0.868 CV     1
 OR { 1268}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 14   and name HD2%)
 OR { 1268}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1269}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 14   and name HD1%)
      2.900     1.000     1.000 peak  1269 spectrum    1 weight  0.10000E+01 volume  0.49344E-02 ppm1      1.124 ppm2      0.786 CV     1
 OR { 1269}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 75   and name HD1%)
 OR { 1269}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 1278}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 74   and name HB2 ))
      3.800     1.800     1.800 peak  1278 spectrum    1 weight  0.10000E+01 volume  0.20481E-02 ppm1      1.123 ppm2      1.688 CV     1
 OR { 1278}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HG  ))
 OR { 1278}
   (  segid "    " and resid 10   and name HD2%)
   (  segid "    " and resid 13   and name HB% )
 ASSI { 1279}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 75   and name HB2 ))
      2.200     0.600     0.600 peak  1279 spectrum    1 weight  0.10000E+01 volume  0.69156E-02 ppm1      1.124 ppm2      1.558 CV     1
 OR { 1279}
   (  segid "    " and resid 10   and name HD2%)
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 1281}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.600     0.800     0.800 peak  1281 spectrum    1 weight  0.10000E+01 volume  0.33771E-02 ppm1      1.198 ppm2      1.628 CV     1
 OR { 1281}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 1283}
   (( segid "    " and resid 55   and name HG1 ))
   (( segid "    " and resid 55   and name HB2 ))
      2.400     0.700     0.700 peak  1283 spectrum    1 weight  0.10000E+01 volume  0.66558E-02 ppm1      1.355 ppm2      1.617 CV     1
 OR { 1283}
   (( segid "    " and resid 45   and name HG  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI { 1287}
   (( segid "    " and resid 82   and name HG  ))
   (( segid "    " and resid 82   and name HB1 ))
      2.400     0.700     0.700 peak  1287 spectrum    1 weight  0.10000E+01 volume  0.87281E-02 ppm1      1.825 ppm2      2.026 CV     1
 OR { 1287}
   (( segid "    " and resid 77   and name HG  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI { 1289}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 75   and name HD1%)
      4.000     2.000     2.000 peak  1289 spectrum    1 weight  0.10000E+01 volume  0.14135E-02 ppm1      1.560 ppm2      0.794 CV     1
 OR { 1289}
   (( segid "    " and resid 38   and name HG12))
   (  segid "    " and resid 26   and name HD2%)
 OR { 1289}
   (( segid "    " and resid 5    and name HG  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1290}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 30   and name HN  ))
      4.300     2.300     1.700 peak  1290 spectrum    1 weight  0.10000E+01 volume  0.69827E-03 ppm1      1.199 ppm2      8.041 CV     1
 OR { 1290}
   (( segid "    " and resid 31   and name HG  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1299}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
      4.700     2.800     1.300 peak  1299 spectrum    1 weight  0.10000E+01 volume  0.35055E-03 ppm1      2.343 ppm2      8.221 CV     1
 OR { 1299}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 1299}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 1307}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 34   and name HN  ))
      2.900     1.000     1.000 peak  1307 spectrum    1 weight  0.10000E+01 volume  0.18779E-02 ppm1      1.940 ppm2      8.456 CV     1
 OR { 1307}
   (( segid "    " and resid 34   and name HG1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1311}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.800     1.800     1.800 peak  1311 spectrum    1 weight  0.10000E+01 volume  0.13921E-02 ppm1      1.624 ppm2      8.457 CV     1
 OR { 1311}
   (( segid "    " and resid 34   and name HG2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1328}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.900     0.900 peak  1328 spectrum    1 weight  0.10000E+01 volume  0.23310E-02 ppm1      2.505 ppm2      4.088 CV     1
 OR { 1328}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HB1 ))
 OR { 1328}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 1328}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 1329}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 50   and name HA  ))
      2.700     0.900     0.900 peak  1329 spectrum    1 weight  0.10000E+01 volume  0.32859E-02 ppm1      2.340 ppm2      4.237 CV     1
 OR { 1329}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HA  ))
 ASSI { 1330}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak  1330 spectrum    1 weight  0.10000E+01 volume  0.19659E-02 ppm1      2.355 ppm2      4.089 CV     1
 OR { 1330}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HB1 ))
 OR { 1330}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI { 1351}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 48   and name HA  ))
      5.000     3.100     1.000 peak  1351 spectrum    1 weight  0.10000E+01 volume  0.27413E-03 ppm1      1.982 ppm2      3.957 CV     1
 OR { 1351}
   (( segid "    " and resid 51   and name HG1 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1357}
   (( segid "    " and resid 53   and name HB2 ))
   (( segid "    " and resid 53   and name HB1 ))
      2.000     0.500     0.500 peak  1357 spectrum    1 weight  0.10000E+01 volume  0.60320E-02 ppm1      2.343 ppm2      2.479 CV     1
 OR { 1357}
   (( segid "    " and resid 47   and name HB1 ))
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 1370}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 78   and name HB  ))
      2.500     0.800     0.800 peak  1370 spectrum    1 weight  0.10000E+01 volume  0.31497E-02 ppm1      1.729 ppm2      1.931 CV     1
 OR { 1370}
   (( segid "    " and resid 78   and name HG11))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1378}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 78   and name HB  ))
      2.600     0.800     0.800 peak  1378 spectrum    1 weight  0.10000E+01 volume  0.21248E-02 ppm1      1.283 ppm2      1.930 CV     1
 OR { 1378}
   (( segid "    " and resid 78   and name HG12))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 1379}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 50   and name HB% )
      4.400     2.500     1.600 peak  1379 spectrum    1 weight  0.10000E+01 volume  0.58451E-03 ppm1      2.345 ppm2      1.647 CV     1
 OR { 1379}
   (( segid "    " and resid 47   and name HB1 ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 1380}
   (( segid "    " and resid 47   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      3.800     1.900     1.900 peak  1380 spectrum    1 weight  0.10000E+01 volume  0.52146E-03 ppm1      2.339 ppm2      1.519 CV     1
 OR { 1380}
   (( segid "    " and resid 53   and name HB2 ))
   (  segid "    " and resid 49   and name HB% )
 OR { 1380}
   (( segid "    " and resid 47   and name HB1 ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 1385}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 74   and name HD2%)
      3.300     1.400     1.400 peak  1385 spectrum    1 weight  0.10000E+01 volume  0.14489E-02 ppm1      1.725 ppm2      1.059 CV     1
 OR { 1385}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 10   and name HD1%)
 OR { 1385}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 52   and name HD2%)
 OR { 1385}
   (( segid "    " and resid 78   and name HG11))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 1394}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 50   and name HB% )
      5.700     4.000     0.300 peak  1394 spectrum    1 weight  0.10000E+01 volume  0.28947E-03 ppm1      2.507 ppm2      1.649 CV     1
 OR { 1394}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 81   and name HB% )
 ASSI { 1395}
   (( segid "    " and resid 53   and name HB1 ))
   (  segid "    " and resid 49   and name HB% )
      5.600     3.900     0.400 peak  1395 spectrum    1 weight  0.10000E+01 volume  0.23627E-03 ppm1      2.511 ppm2      1.499 CV     1
 OR { 1395}
   (( segid "    " and resid 53   and name HB1 ))
   (( segid "    " and resid 60   and name HG11))
 ASSI { 1404}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.100     1.200     1.200 peak  1404 spectrum    1 weight  0.10000E+01 volume  0.13893E-02 ppm1      2.184 ppm2      8.447 CV     1
 OR { 1404}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 1406}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.500     1.500 peak  1406 spectrum    1 weight  0.10000E+01 volume  0.18068E-02 ppm1      2.233 ppm2      8.477 CV     1
 OR { 1406}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1419}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 34   and name HN  ))
      3.100     1.200     1.200 peak  1419 spectrum    1 weight  0.10000E+01 volume  0.12083E-02 ppm1      1.853 ppm2      8.459 CV     1
 OR { 1419}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 1425}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 52   and name HN  ))
      3.800     1.800     1.800 peak  1425 spectrum    1 weight  0.10000E+01 volume  0.11204E-02 ppm1      2.032 ppm2      8.413 CV     1
 OR { 1425}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
 OR { 1425}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 OR { 1425}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
 ASSI { 1426}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
      4.300     2.300     1.700 peak  1426 spectrum    1 weight  0.10000E+01 volume  0.55363E-03 ppm1      2.035 ppm2      8.233 CV     1
 OR { 1426}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
 OR { 1426}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
 OR { 1426}
   (( segid "    " and resid 51   and name HB2 ))
   (( segid "    " and resid 50   and name HN  ))
 OR { 1426}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
 OR { 1426}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 27   and name HN  ))
 ASSI { 1432}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HN  ))
      2.700     0.900     0.900 peak  1432 spectrum    1 weight  0.10000E+01 volume  0.28772E-02 ppm1      2.269 ppm2      7.829 CV     1
 OR { 1432}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
 OR { 1432}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 85   and name HN  ))
 ASSI { 1436}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.100     1.200     1.200 peak  1436 spectrum    1 weight  0.10000E+01 volume  0.11592E-02 ppm1      2.138 ppm2      7.817 CV     1
 OR { 1436}
   (( segid "    " and resid 84   and name HB2 ))
   (( segid "    " and resid 85   and name HN  ))
 ASSI { 1439}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 37   and name HN  ))
      4.300     2.300     1.700 peak  1439 spectrum    1 weight  0.10000E+01 volume  0.42414E-03 ppm1      2.186 ppm2      7.560 CV     1
 OR { 1439}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HE  ))
 ASSI { 1446}
   (( segid "    " and resid 34   and name HB2 ))
   (( segid "    " and resid 37   and name HB2 ))
      3.000     1.200     1.200 peak  1446 spectrum    1 weight  0.10000E+01 volume  0.11621E-02 ppm1      1.867 ppm2      3.016 CV     1
 OR { 1446}
   (( segid "    " and resid 72   and name HB1 ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI { 1448}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HD2 ))
      3.100     1.200     1.200 peak  1448 spectrum    1 weight  0.10000E+01 volume  0.13484E-02 ppm1      1.605 ppm2      3.018 CV     1
 OR { 1448}
   (( segid "    " and resid 72   and name HB2 ))
   (( segid "    " and resid 72   and name HD2 ))
 ASSI { 1462}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.500     0.800     0.800 peak  1462 spectrum    1 weight  0.10000E+01 volume  0.45535E-02 ppm1      2.266 ppm2      4.223 CV     1
 OR { 1462}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI { 1468}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 48   and name HA  ))
      3.500     1.600     1.600 peak  1468 spectrum    1 weight  0.10000E+01 volume  0.73576E-03 ppm1      2.204 ppm2      3.957 CV     1
 OR { 1468}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 1471}
   (( segid "    " and resid 51   and name HB1 ))
   (( segid "    " and resid 51   and name HD2 ))
      3.700     1.700     1.700 peak  1471 spectrum    1 weight  0.10000E+01 volume  0.74470E-03 ppm1      2.180 ppm2      3.331 CV     1
 OR { 1471}
   (( segid "    " and resid 34   and name HB1 ))
   (( segid "    " and resid 34   and name HD2 ))
 ASSI { 1473}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 8    and name HB1 ))
      3.500     1.600     1.600 peak  1473 spectrum    1 weight  0.10000E+01 volume  0.53385E-03 ppm1      2.026 ppm2      2.702 CV     1
 OR { 1473}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 8    and name HB2 ))
 OR { 1473}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 8    and name HB1 ))
 OR { 1473}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI { 1478}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HG1 ))
      2.500     0.800     0.800 peak  1478 spectrum    1 weight  0.10000E+01 volume  0.48337E-02 ppm1      2.265 ppm2      2.627 CV     1
 OR { 1478}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI { 1481}
   (( segid "    " and resid 73   and name HB2 ))
   (( segid "    " and resid 73   and name HB1 ))
      1.700     0.400     0.500 peak  1481 spectrum    1 weight  0.10000E+01 volume  0.15441E-01 ppm1      2.274 ppm2      2.474 CV     1
 OR { 1481}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HG2 ))
 ASSI { 1482}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG2 ))
      2.300     0.700     0.700 peak  1482 spectrum    1 weight  0.10000E+01 volume  0.12193E-01 ppm1      2.245 ppm2      2.405 CV     1
 OR { 1482}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HG2 ))
 OR { 1482}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HG1 ))
 ASSI { 1489}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG1 ))
      2.700     0.900     0.900 peak  1489 spectrum    1 weight  0.10000E+01 volume  0.24549E-02 ppm1      2.043 ppm2      1.400 CV     1
 OR { 1489}
   (( segid "    " and resid 11   and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 1489}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG1 ))
 OR { 1489}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 1494}
   (( segid "    " and resid 84   and name HB1 ))
   (( segid "    " and resid 84   and name HB2 ))
      1.500     0.300     0.700 peak  1494 spectrum    1 weight  0.10000E+01 volume  0.32221E-01 ppm1      2.270 ppm2      2.127 CV     1
 OR { 1494}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI { 1501}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HG2 ))
      2.800     1.000     1.000 peak  1501 spectrum    1 weight  0.10000E+01 volume  0.24303E-02 ppm1      2.044 ppm2      1.154 CV     1
 OR { 1501}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
 OR { 1501}
   (( segid "    " and resid 51   and name HB2 ))
   (  segid "    " and resid 48   and name HG2%)
 OR { 1501}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 11   and name HG2 ))
 ASSI { 1515}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HN  ))
      2.200     0.600     0.600 peak  1515 spectrum    1 weight  0.10000E+01 volume  0.51322E-02 ppm1      1.895 ppm2      8.096 CV     1
 OR { 1515}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1516}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 55   and name HN  ))
      2.700     0.900     0.900 peak  1516 spectrum    1 weight  0.10000E+01 volume  0.38589E-02 ppm1      1.614 ppm2      8.098 CV     1
 OR { 1516}
   (( segid "    " and resid 55   and name HB2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 1520}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
      3.200     1.300     1.300 peak  1520 spectrum    1 weight  0.10000E+01 volume  0.16666E-02 ppm1      2.048 ppm2      7.327 CV     1
 OR { 1520}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 1520}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 1520}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 1527}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
      2.800     1.000     1.000 peak  1527 spectrum    1 weight  0.10000E+01 volume  0.44336E-02 ppm1      1.895 ppm2      4.091 CV     1
 OR { 1527}
   (( segid "    " and resid 55   and name HB1 ))
   (( segid "    " and resid 54   and name HB1 ))
 ASSI { 1588}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
      2.500     0.800     0.800 peak  1588 spectrum    1 weight  0.10000E+01 volume  0.57816E-02 ppm1      2.314 ppm2      4.260 CV     1
 OR { 1588}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
 OR { 1588}
   (( segid "    " and resid 46   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
 OR { 1588}
   (( segid "    " and resid 46   and name HB1 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1594}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 66   and name HA2 ))
      4.400     2.400     1.600 peak  1594 spectrum    1 weight  0.10000E+01 volume  0.37429E-03 ppm1      2.836 ppm2      3.888 CV     1
 OR { 1594}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1595}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 66   and name HA2 ))
      4.400     2.400     1.600 peak  1595 spectrum    1 weight  0.10000E+01 volume  0.33765E-03 ppm1      2.749 ppm2      3.895 CV     1
 OR { 1595}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI { 1596}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 46   and name HA  ))
      2.800     0.900     0.900 peak  1596 spectrum    1 weight  0.10000E+01 volume  0.28341E-02 ppm1      2.837 ppm2      4.259 CV     1
 OR { 1596}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI { 1597}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     0.900     0.900 peak  1597 spectrum    1 weight  0.10000E+01 volume  0.29133E-02 ppm1      2.750 ppm2      4.257 CV     1
 OR { 1597}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 1610}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.800     2.900     1.200 peak  1610 spectrum    1 weight  0.10000E+01 volume  0.72512E-03 ppm1      2.751 ppm2      2.188 CV     1
 OR { 1610}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 64   and name HB  ))
 ASSI { 1611}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 64   and name HB  ))
      5.100     3.300     0.900 peak  1611 spectrum    1 weight  0.10000E+01 volume  0.41282E-03 ppm1      2.836 ppm2      2.185 CV     1
 OR { 1611}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 47   and name HB2 ))
 ASSI { 1620}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
      3.100     1.200     1.200 peak  1620 spectrum    1 weight  0.10000E+01 volume  0.12994E-02 ppm1      2.248 ppm2      0.887 CV     1
 OR { 1620}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 1620}
   (( segid "    " and resid 71   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1621}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 64   and name HG2%)
      2.000     0.500     0.500 peak  1621 spectrum    1 weight  0.10000E+01 volume  0.11437E-01 ppm1      2.209 ppm2      1.008 CV     1
 OR { 1621}
   (( segid "    " and resid 64   and name HB  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 1627}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H31%)
      3.500     1.600     1.600 peak  1627 spectrum    1 weight  0.10000E+01 volume  0.46962E-03 ppm1      2.838 ppm2      1.065 CV     1
 OR { 1627}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 43   and name HD2%)
 OR { 1627}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 1627}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 1628}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 43   and name HD2%)
      4.000     2.000     2.000 peak  1628 spectrum    1 weight  0.10000E+01 volume  0.44375E-03 ppm1      2.756 ppm2      1.060 CV     1
 OR { 1628}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H31%)
 OR { 1628}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 1628}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 74   and name HD2%)
 OR { 1628}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 1629}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 42   and name H30%)
      4.300     2.300     1.700 peak  1629 spectrum    1 weight  0.10000E+01 volume  0.40478E-03 ppm1      2.837 ppm2      0.967 CV     1
 OR { 1629}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 1629}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 1629}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1630}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 42   and name H30%)
      4.500     2.600     1.500 peak  1630 spectrum    1 weight  0.10000E+01 volume  0.42388E-03 ppm1      2.750 ppm2      0.960 CV     1
 OR { 1630}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 1630}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 1630}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1635}
   (( segid "    " and resid 46   and name HG1 ))
   (  segid "    " and resid 49   and name HB% )
      5.100     3.300     0.900 peak  1635 spectrum    1 weight  0.10000E+01 volume  0.38637E-03 ppm1      2.838 ppm2      1.520 CV     1
 OR { 1635}
   (( segid "    " and resid 46   and name HG1 ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 1636}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 45   and name HB2 ))
      4.200     2.200     1.800 peak  1636 spectrum    1 weight  0.10000E+01 volume  0.35064E-03 ppm1      2.754 ppm2      1.512 CV     1
 OR { 1636}
   (( segid "    " and resid 46   and name HG2 ))
   (  segid "    " and resid 49   and name HB% )
 OR { 1636}
   (( segid "    " and resid 46   and name HG2 ))
   (( segid "    " and resid 60   and name HG11))
 ASSI { 1656}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 74   and name HG  ))
      5.100     3.300     0.900 peak  1656 spectrum    1 weight  0.10000E+01 volume  0.30924E-03 ppm1      2.413 ppm2      0.979 CV     1
 OR { 1656}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 1656}
   (( segid "    " and resid 68   and name HB  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 1666}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 70   and name HN  ))
      3.300     1.400     1.400 peak  1666 spectrum    1 weight  0.10000E+01 volume  0.98632E-03 ppm1      2.401 ppm2      7.473 CV     1
 OR { 1666}
   (( segid "    " and resid 68   and name HB  ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 1686}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 53   and name HA  ))
      3.100     1.200     1.200 peak  1686 spectrum    1 weight  0.10000E+01 volume  0.18983E-02 ppm1      2.762 ppm2      4.090 CV     1
 OR { 1686}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 1694}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.900     0.900 peak  1694 spectrum    1 weight  0.10000E+01 volume  0.22956E-02 ppm1      2.312 ppm2      4.090 CV     1
 OR { 1694}
   (( segid "    " and resid 53   and name HG2 ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 1708}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 49   and name HB% )
      3.700     1.700     1.700 peak  1708 spectrum    1 weight  0.10000E+01 volume  0.40364E-03 ppm1      2.762 ppm2      1.499 CV     1
 OR { 1708}
   (( segid "    " and resid 53   and name HG1 ))
   (( segid "    " and resid 60   and name HG11))
 ASSI { 1716}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 60   and name HD1%)
      4.100     2.100     1.900 peak  1716 spectrum    1 weight  0.10000E+01 volume  0.73437E-03 ppm1      2.308 ppm2      0.824 CV     1
 OR { 1716}
   (( segid "    " and resid 53   and name HG2 ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1718}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 60   and name HD1%)
      3.900     1.900     1.900 peak  1718 spectrum    1 weight  0.10000E+01 volume  0.86915E-03 ppm1      2.762 ppm2      0.824 CV     1
 OR { 1718}
   (( segid "    " and resid 53   and name HG1 ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1742}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 69   and name HN  ))
      3.500     3.500     2.500 peak  1742 spectrum    1 weight  0.10000E+01 volume  0.28121E-03 ppm1      2.510 ppm2      9.095 CV     1
 OR { 1742}
   (( segid "    " and resid 73   and name HG2 ))
   (( segid "    " and resid 72   and name HE  ))
 ASSI { 1743}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 20   and name HN  ))
      3.500     1.600     1.600 peak  1743 spectrum    1 weight  0.10000E+01 volume  0.16866E-02 ppm1      2.405 ppm2      8.479 CV     1
 OR { 1743}
   (( segid "    " and resid 20   and name HG2 ))
   (( segid "    " and resid 20   and name HN  ))
 OR { 1743}
   (( segid "    " and resid 20   and name HG1 ))
   (( segid "    " and resid 22   and name HN  ))
 ASSI { 1760}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 13   and name HA  ))
      4.300     2.300     1.700 peak  1760 spectrum    1 weight  0.10000E+01 volume  0.45953E-03 ppm1      2.617 ppm2      4.395 CV     1
 OR { 1760}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 1762}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 13   and name HA  ))
      4.100     2.100     1.900 peak  1762 spectrum    1 weight  0.10000E+01 volume  0.49503E-03 ppm1      2.392 ppm2      4.399 CV     1
 OR { 1762}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 1790}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.800     1.000     1.000 peak  1790 spectrum    1 weight  0.10000E+01 volume  0.47452E-02 ppm1      2.391 ppm2      2.258 CV     1
 OR { 1790}
   (( segid "    " and resid 16   and name HG2 ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 1791}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 16   and name HB1 ))
      2.600     0.900     0.900 peak  1791 spectrum    1 weight  0.10000E+01 volume  0.45773E-02 ppm1      2.619 ppm2      2.259 CV     1
 OR { 1791}
   (( segid "    " and resid 16   and name HG1 ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI { 1806}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HN  ))
      3.800     1.800     1.800 peak  1806 spectrum    1 weight  0.10000E+01 volume  0.12783E-02 ppm1      3.581 ppm2      8.456 CV     1
 OR { 1806}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 1824}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      2.400     0.700     0.700 peak  1824 spectrum    1 weight  0.10000E+01 volume  0.31053E-02 ppm1      3.580 ppm2      4.368 CV     1
 OR { 1824}
   (( segid "    " and resid 35   and name HB1 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1825}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      2.900     1.100     1.100 peak  1825 spectrum    1 weight  0.10000E+01 volume  0.23539E-02 ppm1      3.090 ppm2      4.369 CV     1
 OR { 1825}
   (( segid "    " and resid 35   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1834}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 4    and name HD2%)
      5.000     3.100     1.000 peak  1834 spectrum    1 weight  0.10000E+01 volume  0.53592E-03 ppm1      2.772 ppm2      0.959 CV     1
 OR { 1834}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 1835}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 4    and name HD1%)
      3.800     1.800     1.800 peak  1835 spectrum    1 weight  0.10000E+01 volume  0.73194E-03 ppm1      2.762 ppm2      0.881 CV     1
 OR { 1835}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 1835}
   (( segid "    " and resid 79   and name HB2 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 1837}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 4    and name HD1%)
      3.900     1.900     1.900 peak  1837 spectrum    1 weight  0.10000E+01 volume  0.58146E-03 ppm1      3.090 ppm2      0.878 CV     1
 OR { 1837}
   (( segid "    " and resid 79   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1845}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 78   and name HG2%)
      2.600     0.800     0.800 peak  1845 spectrum    1 weight  0.10000E+01 volume  0.27659E-02 ppm1      1.948 ppm2      0.863 CV     1
 OR { 1845}
   (( segid "    " and resid 78   and name HB  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1853}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
      2.600     0.800     0.800 peak  1853 spectrum    1 weight  0.10000E+01 volume  0.34654E-02 ppm1      3.454 ppm2      0.976 CV     1
 OR { 1853}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 1853}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI { 1855}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD1%)
      3.000     1.100     1.100 peak  1855 spectrum    1 weight  0.10000E+01 volume  0.30779E-02 ppm1      2.785 ppm2      0.972 CV     1
 OR { 1855}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 1855}
   (( segid "    " and resid 56   and name HB2 ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 1866}
   (( segid "    " and resid 56   and name HB1 ))
   (  segid "    " and resid 81   and name HB% )
      5.300     3.600     0.700 peak  1866 spectrum    1 weight  0.10000E+01 volume  0.25786E-03 ppm1      3.455 ppm2      1.608 CV     1
 OR { 1866}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 1868}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HA2 ))
      4.500     2.500     1.500 peak  1868 spectrum    1 weight  0.10000E+01 volume  0.56292E-03 ppm1      3.453 ppm2      4.090 CV     1
 OR { 1868}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 57   and name HA1 ))
 OR { 1868}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 53   and name HA  ))
 OR { 1868}
   (( segid "    " and resid 56   and name HB1 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 1869}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 53   and name HA  ))
      4.600     2.700     1.400 peak  1869 spectrum    1 weight  0.10000E+01 volume  0.30322E-03 ppm1      2.783 ppm2      4.081 CV     1
 OR { 1869}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HA2 ))
 OR { 1869}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 57   and name HA1 ))
 OR { 1869}
   (( segid "    " and resid 56   and name HB2 ))
   (( segid "    " and resid 55   and name HA  ))
 ASSI { 1892}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 38   and name HN  ))
      3.500     1.600     1.600 peak  1892 spectrum    1 weight  0.10000E+01 volume  0.16188E-02 ppm1      2.452 ppm2      7.715 CV     1
 OR { 1892}
   (( segid "    " and resid 38   and name HB  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1912}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 33   and name HN  ))
      4.600     2.700     1.400 peak  1912 spectrum    1 weight  0.10000E+01 volume  0.60098E-03 ppm1      3.289 ppm2      7.203 CV     1
 OR { 1912}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 1914}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 30   and name HE% )
      4.100     2.100     1.900 peak  1914 spectrum    1 weight  0.10000E+01 volume  0.77191E-03 ppm1      3.012 ppm2      7.197 CV     1
 OR { 1914}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 33   and name HN  ))
 ASSI { 1920}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 40   and name HN  ))
      3.000     1.100     1.100 peak  1920 spectrum    1 weight  0.10000E+01 volume  0.44040E-02 ppm1      3.010 ppm2      8.051 CV     1
 OR { 1920}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 1923}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
      3.100     1.200     1.200 peak  1923 spectrum    1 weight  0.10000E+01 volume  0.14806E-02 ppm1      3.291 ppm2      8.039 CV     1
 OR { 1923}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 1926}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      5.800     4.100     0.200 peak  1926 spectrum    1 weight  0.10000E+01 volume  0.32308E-03 ppm1      3.007 ppm2      7.720 CV     1
 OR { 1926}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 1935}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 35   and name HA  ))
      3.400     1.400     1.400 peak  1935 spectrum    1 weight  0.10000E+01 volume  0.20083E-02 ppm1      3.012 ppm2      4.364 CV     1
 OR { 1935}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI { 1945}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 35   and name HA  ))
      3.200     1.300     1.300 peak  1945 spectrum    1 weight  0.10000E+01 volume  0.44398E-03 ppm1      2.780 ppm2      4.369 CV     1
 OR { 1945}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 1951}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 61   and name HD1 ))
      4.200     2.200     1.800 peak  1951 spectrum    1 weight  0.10000E+01 volume  0.98756E-03 ppm1      1.785 ppm2      4.007 CV     1
 OR { 1951}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 65   and name HA  ))
 ASSI { 1953}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 53   and name HG1 ))
      4.300     2.300     1.700 peak  1953 spectrum    1 weight  0.10000E+01 volume  0.20382E-03 ppm1      1.783 ppm2      2.750 CV     1
 OR { 1953}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 1954}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 53   and name HG2 ))
      4.100     2.100     1.900 peak  1954 spectrum    1 weight  0.10000E+01 volume  0.33373E-03 ppm1      1.783 ppm2      2.321 CV     1
 OR { 1954}
   (( segid "    " and resid 60   and name HB  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 1955}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 29   and name HB1 ))
      4.000     2.000     2.000 peak  1955 spectrum    1 weight  0.10000E+01 volume  0.32201E-03 ppm1      3.287 ppm2      2.897 CV     1
 OR { 1955}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 25   and name HB1 ))
 ASSI { 1959}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 38   and name HG12))
      2.900     1.000     1.000 peak  1959 spectrum    1 weight  0.10000E+01 volume  0.11715E-02 ppm1      3.010 ppm2      1.518 CV     1
 OR { 1959}
   (( segid "    " and resid 40   and name HB1 ))
   (( segid "    " and resid 45   and name HB2 ))
 OR { 1959}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 1960}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
      3.200     1.300     1.300 peak  1960 spectrum    1 weight  0.10000E+01 volume  0.14234E-02 ppm1      2.784 ppm2      1.518 CV     1
 OR { 1960}
   (( segid "    " and resid 40   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
 OR { 1960}
   (( segid "    " and resid 40   and name HB2 ))
   (( segid "    " and resid 38   and name HG12))
 ASSI { 1964}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
      3.800     1.800     1.800 peak  1964 spectrum    1 weight  0.10000E+01 volume  0.21196E-02 ppm1      3.290 ppm2      1.056 CV     1
 OR { 1964}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1964}
   (( segid "    " and resid 30   and name HB1 ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 1966}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
      4.500     2.500     1.500 peak  1966 spectrum    1 weight  0.10000E+01 volume  0.64736E-03 ppm1      3.294 ppm2      0.867 CV     1
 OR { 1966}
   (( segid "    " and resid 30   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 1970}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 33   and name HD2%)
      3.500     1.500     1.500 peak  1970 spectrum    1 weight  0.10000E+01 volume  0.16814E-02 ppm1      3.014 ppm2      1.057 CV     1
 OR { 1970}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 38   and name HG2%)
 OR { 1970}
   (( segid "    " and resid 30   and name HB2 ))
   (( segid "    " and resid 31   and name HB2 ))
 ASSI { 1971}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 38   and name HD1%)
      4.000     2.000     2.000 peak  1971 spectrum    1 weight  0.10000E+01 volume  0.94294E-03 ppm1      3.008 ppm2      0.877 CV     1
 OR { 1971}
   (( segid "    " and resid 40   and name HB1 ))
   (  segid "    " and resid 14   and name HD2%)
 OR { 1971}
   (( segid "    " and resid 30   and name HB2 ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 1990}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.900     0.900 peak  1990 spectrum    1 weight  0.10000E+01 volume  0.60196E-02 ppm1      2.836 ppm2      8.490 CV     1
 OR { 1990}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HN  ))
 OR { 1990}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 1990}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 2002}
   (( segid "    " and resid 26   and name HB2 ))
   (  segid "    " and resid 30   and name HD% )
      4.600     2.600     1.400 peak  2002 spectrum    1 weight  0.10000E+01 volume  0.42525E-03 ppm1      1.236 ppm2      7.313 CV     1
 OR { 2002}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 2002}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 2003}
   (( segid "    " and resid 26   and name HB1 ))
   (  segid "    " and resid 30   and name HD% )
      4.100     2.100     1.900 peak  2003 spectrum    1 weight  0.10000E+01 volume  0.39873E-03 ppm1      1.448 ppm2      7.314 CV     1
 OR { 2003}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 11   and name HE  ))
 OR { 2003}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 30   and name HZ  ))
 ASSI { 2007}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      3.700     1.800     1.800 peak  2007 spectrum    1 weight  0.10000E+01 volume  0.14247E-02 ppm1      1.623 ppm2      8.049 CV     1
 OR { 2007}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2021}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
      2.600     0.800     0.800 peak  2021 spectrum    1 weight  0.10000E+01 volume  0.19012E-02 ppm1      2.699 ppm2      8.068 CV     1
 OR { 2021}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 2026}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 32   and name HN  ))
      2.900     1.000     1.000 peak  2026 spectrum    1 weight  0.10000E+01 volume  0.43961E-02 ppm1      3.031 ppm2      8.051 CV     1
 OR { 2026}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HN  ))
 ASSI { 2037}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 30   and name HZ  ))
      4.800     2.800     1.200 peak  2037 spectrum    1 weight  0.10000E+01 volume  0.52115E-03 ppm1      1.562 ppm2      7.336 CV     1
 OR { 2037}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 79   and name HD21))
 ASSI { 2038}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HH22))
      4.700     2.700     1.300 peak  2038 spectrum    1 weight  0.10000E+01 volume  0.40333E-03 ppm1      1.626 ppm2      6.893 CV     1
 OR { 2038}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HH11))
 OR { 2038}
   (( segid "    " and resid 45   and name HB1 ))
   (  segid "    " and resid 35   and name HE% )
 OR { 2038}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HH21))
 OR { 2038}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HH12))
 OR { 2038}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 35   and name HZ  ))
 ASSI { 2042}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      3.200     1.200     1.200 peak  2042 spectrum    1 weight  0.10000E+01 volume  0.18652E-02 ppm1      1.440 ppm2      4.393 CV     1
 OR { 2042}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 2044}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 42   and name HA  ))
      3.200     1.300     1.300 peak  2044 spectrum    1 weight  0.10000E+01 volume  0.21603E-02 ppm1      1.498 ppm2      4.261 CV     1
 OR { 2044}
   (( segid "    " and resid 45   and name HB2 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 2048}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 42   and name HA  ))
      2.800     1.000     1.000 peak  2048 spectrum    1 weight  0.10000E+01 volume  0.17206E-02 ppm1      1.629 ppm2      4.262 CV     1
 OR { 2048}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 2055}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      3.100     1.200     1.200 peak  2055 spectrum    1 weight  0.10000E+01 volume  0.11445E-02 ppm1      2.332 ppm2      3.865 CV     1
 OR { 2055}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 75   and name HA  ))
 ASSI { 2060}
   (( segid "    " and resid 31   and name HB1 ))
   (( segid "    " and resid 72   and name HA  ))
      4.500     2.600     1.500 peak  2060 spectrum    1 weight  0.10000E+01 volume  0.28582E-03 ppm1      1.624 ppm2      3.603 CV     1
 OR { 2060}
   (( segid "    " and resid 45   and name HB1 ))
   (( segid "    " and resid 35   and name HB1 ))
 ASSI { 2063}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 11   and name HB1 ))
      4.400     2.500     1.600 peak  2063 spectrum    1 weight  0.10000E+01 volume  0.43308E-03 ppm1      2.327 ppm2      2.048 CV     1
 OR { 2063}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 2063}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI { 2065}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 13   and name HB% )
      4.600     2.600     1.400 peak  2065 spectrum    1 weight  0.10000E+01 volume  0.70984E-03 ppm1      2.336 ppm2      1.669 CV     1
 OR { 2065}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI { 2074}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 14   and name HD1%)
      2.800     1.000     1.000 peak  2074 spectrum    1 weight  0.10000E+01 volume  0.27007E-02 ppm1      1.983 ppm2      0.776 CV     1
 OR { 2074}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 26   and name HD2%)
 ASSI { 2075}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 15   and name HG2%)
      4.300     2.300     1.700 peak  2075 spectrum    1 weight  0.10000E+01 volume  0.81503E-03 ppm1      1.987 ppm2      1.118 CV     1
 OR { 2075}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 2081}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
      3.500     1.500     1.500 peak  2081 spectrum    1 weight  0.10000E+01 volume  0.22783E-02 ppm1      2.332 ppm2      1.044 CV     1
 OR { 2081}
   (( segid "    " and resid 10   and name HB1 ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2089}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 31   and name HB1 ))
      1.800     0.400     0.400 peak  2089 spectrum    1 weight  0.10000E+01 volume  0.80584E-02 ppm1      1.028 ppm2      1.627 CV     1
 OR { 2089}
   (( segid "    " and resid 31   and name HB2 ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 2098}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
      3.700     1.700     1.700 peak  2098 spectrum    1 weight  0.10000E+01 volume  0.13468E-02 ppm1      1.568 ppm2      0.618 CV     1
 OR { 2098}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 5    and name HD1%)
 OR { 2098}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
 OR { 2098}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 5    and name HD2%)
 ASSI { 2099}
   (( segid "    " and resid 75   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
      2.500     0.800     0.800 peak  2099 spectrum    1 weight  0.10000E+01 volume  0.29344E-02 ppm1      1.561 ppm2      0.792 CV     1
 OR { 2099}
   (( segid "    " and resid 10   and name HB2 ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 2115}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
      4.300     2.300     1.700 peak  2115 spectrum    1 weight  0.10000E+01 volume  0.73055E-03 ppm1      2.706 ppm2      8.836 CV     1
 OR { 2115}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
 OR { 2115}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 2115}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HN  ))
 OR { 2115}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 2117}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak  2117 spectrum    1 weight  0.10000E+01 volume  0.25265E-02 ppm1      2.757 ppm2      8.605 CV     1
 OR { 2117}
   (( segid "    " and resid 62   and name HB2 ))
   (( segid "    " and resid 63   and name HN  ))
 ASSI { 2125}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HN  ))
      3.400     1.500     1.500 peak  2125 spectrum    1 weight  0.10000E+01 volume  0.61575E-03 ppm1      3.086 ppm2      7.709 CV     1
 OR { 2125}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 2126}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 38   and name HN  ))
      4.200     2.200     1.800 peak  2126 spectrum    1 weight  0.10000E+01 volume  0.91707E-03 ppm1      2.996 ppm2      7.714 CV     1
 OR { 2126}
   (( segid "    " and resid 37   and name HB2 ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 2137}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 42   and name HB2 ))
      4.800     2.800     1.200 peak  2137 spectrum    1 weight  0.10000E+01 volume  0.36460E-03 ppm1      3.298 ppm2      4.321 CV     1
 OR { 2137}
   (( segid "    " and resid 41   and name HB1 ))
   (( segid "    " and resid 44   and name HA  ))
 ASSI { 2138}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.600     0.900     0.900 peak  2138 spectrum    1 weight  0.10000E+01 volume  0.34941E-02 ppm1      3.033 ppm2      4.543 CV     1
 OR { 2138}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 2143}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak  2143 spectrum    1 weight  0.10000E+01 volume  0.48854E-02 ppm1      2.700 ppm2      4.555 CV     1
 OR { 2143}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
 OR { 2143}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI { 2145}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 6    and name HB  ))
      4.900     3.000     1.100 peak  2145 spectrum    1 weight  0.10000E+01 volume  0.37025E-03 ppm1      2.704 ppm2      4.845 CV     1
 OR { 2145}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 6    and name HB  ))
 OR { 2145}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 6    and name HB  ))
 ASSI { 2156}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 52   and name HB1 ))
      4.500     2.500     1.500 peak  2156 spectrum    1 weight  0.10000E+01 volume  0.36220E-03 ppm1      3.034 ppm2      2.237 CV     1
 OR { 2156}
   (( segid "    " and resid 32   and name HB1 ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 2161}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
      4.100     2.100     1.900 peak  2161 spectrum    1 weight  0.10000E+01 volume  0.10751E-02 ppm1      2.704 ppm2      2.037 CV     1
 OR { 2161}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 2161}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2161}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2161}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 2161}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 11   and name HB1 ))
 OR { 2161}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 2161}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 2161}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 2162}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
      2.400     0.700     0.700 peak  2162 spectrum    1 weight  0.10000E+01 volume  0.17621E-02 ppm1      2.698 ppm2      1.570 CV     1
 OR { 2162}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR { 2162}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HG  ))
 ASSI { 2163}
   (( segid "    " and resid 41   and name HB2 ))
   (( segid "    " and resid 45   and name HB2 ))
      4.400     2.500     1.600 peak  2163 spectrum    1 weight  0.10000E+01 volume  0.51279E-03 ppm1      2.852 ppm2      1.518 CV     1
 OR { 2163}
   (( segid "    " and resid 41   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2165}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 34   and name HB2 ))
      3.800     1.800     1.800 peak  2165 spectrum    1 weight  0.10000E+01 volume  0.45845E-03 ppm1      3.081 ppm2      1.848 CV     1
 OR { 2165}
   (( segid "    " and resid 37   and name HB1 ))
   (( segid "    " and resid 38   and name HG11))
 ASSI { 2169}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 70   and name HG2%)
      4.100     2.100     1.900 peak  2169 spectrum    1 weight  0.10000E+01 volume  0.53922E-03 ppm1      3.033 ppm2      1.075 CV     1
 OR { 2169}
   (( segid "    " and resid 32   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 2174}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 5    and name HB2 ))
      4.200     2.200     1.800 peak  2174 spectrum    1 weight  0.10000E+01 volume  0.93974E-03 ppm1      2.703 ppm2      1.384 CV     1
 OR { 2174}
   (( segid "    " and resid 8    and name HB1 ))
   (  segid "    " and resid 7    and name HG2%)
 OR { 2174}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2176}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 52   and name HD2%)
      4.500     2.500     1.500 peak  2176 spectrum    1 weight  0.10000E+01 volume  0.42407E-03 ppm1      2.699 ppm2      1.030 CV     1
 OR { 2176}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 2176}
   (( segid "    " and resid 8    and name HB2 ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 2180}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 12   and name HB1 ))
      4.900     3.000     1.100 peak  2180 spectrum    1 weight  0.10000E+01 volume  0.20446E-03 ppm1      3.035 ppm2      2.021 CV     1
 OR { 2180}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 52   and name HG  ))
 OR { 2180}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 2184}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
      2.700     0.900     0.900 peak  2184 spectrum    1 weight  0.10000E+01 volume  0.41637E-02 ppm1      1.587 ppm2      9.429 CV     1
 OR { 2184}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HN  ))
 ASSI { 2189}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 75   and name HN  ))
      2.300     0.600     0.600 peak  2189 spectrum    1 weight  0.10000E+01 volume  0.59427E-02 ppm1      2.190 ppm2      8.714 CV     1
 OR { 2189}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 2207}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 79   and name HD21))
      3.700     1.700     1.700 peak  2207 spectrum    1 weight  0.10000E+01 volume  0.11831E-02 ppm1      1.591 ppm2      7.331 CV     1
 OR { 2207}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 79   and name HD21))
 ASSI { 2221}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak  2221 spectrum    1 weight  0.10000E+01 volume  0.35201E-02 ppm1      1.601 ppm2      4.363 CV     1
 OR { 2221}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI { 2243}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 77   and name HA  ))
      2.500     0.800     0.800 peak  2243 spectrum    1 weight  0.10000E+01 volume  0.37930E-02 ppm1      2.031 ppm2      4.279 CV     1
 OR { 2243}
   (( segid "    " and resid 77   and name HB1 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 2244}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 77   and name HA  ))
      2.700     0.900     0.900 peak  2244 spectrum    1 weight  0.10000E+01 volume  0.40047E-02 ppm1      1.909 ppm2      4.281 CV     1
 OR { 2244}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 74   and name HA  ))
 ASSI { 2258}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 33   and name HD2%)
      2.500     0.800     0.800 peak  2258 spectrum    1 weight  0.10000E+01 volume  0.49176E-02 ppm1      1.772 ppm2      1.058 CV     1
 OR { 2258}
   (( segid "    " and resid 33   and name HB1 ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI { 2260}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD2%)
      2.400     0.700     0.700 peak  2260 spectrum    1 weight  0.10000E+01 volume  0.67049E-02 ppm1      2.012 ppm2      0.977 CV     1
 OR { 2260}
   (( segid "    " and resid 77   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 2260}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD1%)
 OR { 2260}
   (( segid "    " and resid 82   and name HB1 ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2261}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD2%)
      2.700     0.900     0.900 peak  2261 spectrum    1 weight  0.10000E+01 volume  0.45636E-02 ppm1      1.909 ppm2      0.959 CV     1
 OR { 2261}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 77   and name HD1%)
 OR { 2261}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 2262}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 52   and name HD2%)
      2.700     0.900     0.900 peak  2262 spectrum    1 weight  0.10000E+01 volume  0.25106E-02 ppm1      2.212 ppm2      1.031 CV     1
 OR { 2262}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 2263}
   (( segid "    " and resid 75   and name HB1 ))
   (  segid "    " and resid 75   and name HD2%)
      2.400     0.700     0.700 peak  2263 spectrum    1 weight  0.10000E+01 volume  0.54950E-02 ppm1      2.209 ppm2      0.861 CV     1
 OR { 2263}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 52   and name HD1%)
 OR { 2263}
   (( segid "    " and resid 52   and name HB1 ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 2266}
   (( segid "    " and resid 74   and name HB1 ))
   (( segid "    " and resid 74   and name HG  ))
      2.700     0.900     0.900 peak  2266 spectrum    1 weight  0.10000E+01 volume  0.27655E-02 ppm1      2.421 ppm2      0.978 CV     1
 OR { 2266}
   (( segid "    " and resid 74   and name HB1 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 2282}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 75   and name HG  ))
      2.900     1.100     1.100 peak  2282 spectrum    1 weight  0.10000E+01 volume  0.33492E-02 ppm1      1.543 ppm2      1.677 CV     1
 OR { 2282}
   (( segid "    " and resid 75   and name HB2 ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI { 2294}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 60   and name HD1%)
      3.600     1.600     1.600 peak  2294 spectrum    1 weight  0.10000E+01 volume  0.77651E-03 ppm1      1.906 ppm2      0.841 CV     1
 OR { 2294}
   (( segid "    " and resid 77   and name HB2 ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 2301}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 30   and name HB1 ))
      6.000     4.900     0.000 peak  2301 spectrum    1 weight  0.10000E+01 volume  0.15917E-03 ppm1      1.775 ppm2      3.303 CV     1
 OR { 2301}
   (( segid "    " and resid 33   and name HB1 ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 2317}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 76   and name HN  ))
      5.000     3.200     1.000 peak  2317 spectrum    1 weight  0.10000E+01 volume  0.22137E-03 ppm1      1.911 ppm2      8.698 CV     1
 OR { 2317}
   (( segid "    " and resid 77   and name HB2 ))
   (( segid "    " and resid 75   and name HN  ))
 ASSI { 2318}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 79   and name HN  ))
      5.500     3.800     0.500 peak  2318 spectrum    1 weight  0.10000E+01 volume  0.13901E-03 ppm1      2.198 ppm2      8.846 CV     1
 OR { 2318}
   (( segid "    " and resid 75   and name HB1 ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 2319}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 56   and name HN  ))
      4.500     2.500     1.500 peak  2319 spectrum    1 weight  0.10000E+01 volume  0.36421E-03 ppm1      2.216 ppm2      8.119 CV     1
 OR { 2319}
   (( segid "    " and resid 52   and name HB1 ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 2323}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HN  ))
      4.400     2.400     1.600 peak  2323 spectrum    1 weight  0.10000E+01 volume  0.70669E-03 ppm1      3.442 ppm2      8.451 CV     1
 OR { 2323}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 2324}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HN  ))
      5.000     3.100     1.000 peak  2324 spectrum    1 weight  0.10000E+01 volume  0.46293E-03 ppm1      3.345 ppm2      8.454 CV     1
 OR { 2324}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 35   and name HN  ))
 ASSI { 2325}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 55   and name HN  ))
      5.200     3.300     0.800 peak  2325 spectrum    1 weight  0.10000E+01 volume  0.28224E-03 ppm1      3.011 ppm2      8.107 CV     1
 OR { 2325}
   (( segid "    " and resid 55   and name HD2 ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2326}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 56   and name HN  ))
      4.800     2.800     1.200 peak  2326 spectrum    1 weight  0.10000E+01 volume  0.39212E-03 ppm1      3.091 ppm2      8.095 CV     1
 OR { 2326}
   (( segid "    " and resid 55   and name HD1 ))
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 2342}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HE  ))
      3.100     1.200     1.200 peak  2342 spectrum    1 weight  0.10000E+01 volume  0.17393E-02 ppm1      3.350 ppm2      7.986 CV     1
 OR { 2342}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HN  ))
 ASSI { 2378}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 48   and name HA  ))
      3.400     3.400     2.600 peak  2378 spectrum    1 weight  0.10000E+01 volume  0.31143E-03 ppm1      3.295 ppm2      3.965 CV     1
 OR { 2378}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 2379}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 48   and name HA  ))
      4.100     2.100     1.900 peak  2379 spectrum    1 weight  0.10000E+01 volume  0.35527E-03 ppm1      3.441 ppm2      3.958 CV     1
 OR { 2379}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI { 2395}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HB1 ))
      2.500     0.800     0.800 peak  2395 spectrum    1 weight  0.10000E+01 volume  0.32748E-02 ppm1      3.442 ppm2      2.182 CV     1
 OR { 2395}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI { 2396}
   (( segid "    " and resid 34   and name HD1 ))
   (( segid "    " and resid 34   and name HG1 ))
      2.500     0.800     0.800 peak  2396 spectrum    1 weight  0.10000E+01 volume  0.45941E-02 ppm1      3.443 ppm2      1.958 CV     1
 OR { 2396}
   (( segid "    " and resid 51   and name HD1 ))
   (( segid "    " and resid 51   and name HG1 ))
 ASSI { 2399}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.500     0.800     0.800 peak  2399 spectrum    1 weight  0.10000E+01 volume  0.52507E-02 ppm1      3.301 ppm2      1.708 CV     1
 OR { 2399}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HG2 ))
 ASSI { 2407}
   (( segid "    " and resid 51   and name HD2 ))
   (( segid "    " and resid 51   and name HB2 ))
      2.600     0.800     0.800 peak  2407 spectrum    1 weight  0.10000E+01 volume  0.56380E-02 ppm1      3.303 ppm2      2.014 CV     1
 OR { 2407}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 2407}
   (( segid "    " and resid 12   and name HD2 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 2408}
   (( segid "    " and resid 34   and name HD2 ))
   (( segid "    " and resid 34   and name HG1 ))
      2.500     0.800     0.800 peak  2408 spectrum    1 weight  0.10000E+01 volume  0.45960E-02 ppm1      3.357 ppm2      1.925 CV     1
 OR { 2408}
   (( segid "    " and resid 12   and name HD1 ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI { 2420}
   (( segid "    " and resid 34   and name HD1 ))
   (  segid "    " and resid 70   and name HG2%)
      4.800     2.800     1.200 peak  2420 spectrum    1 weight  0.10000E+01 volume  0.38177E-03 ppm1      3.443 ppm2      1.072 CV     1
 OR { 2420}
   (( segid "    " and resid 51   and name HD1 ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI { 2422}
   (( segid "    " and resid 67   and name HD2 ))
   (  segid "    " and resid 64   and name HG1%)
      3.500     1.600     1.600 peak  2422 spectrum    1 weight  0.10000E+01 volume  0.58632E-03 ppm1      3.264 ppm2      0.969 CV     1
 OR { 2422}
   (( segid "    " and resid 67   and name HD1 ))
   (  segid "    " and resid 64   and name HG1%)
 OR { 2422}
   (( segid "    " and resid 67   and name HD1 ))
   (  segid "    " and resid 77   and name HD2%)
 OR { 2422}
   (( segid "    " and resid 67   and name HD1 ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 2428}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 23   and name HN  ))
      2.200     0.600     0.600 peak  2428 spectrum    1 weight  0.10000E+01 volume  0.14101E-01 ppm1      4.070 ppm2      8.488 CV     1
 OR { 2428}
   (( segid "    " and resid 19   and name HA2 ))
   (( segid "    " and resid 20   and name HN  ))
 OR { 2428}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 23   and name HN  ))
 OR { 2428}
   (( segid "    " and resid 19   and name HA1 ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI { 2442}
   (( segid "    " and resid 23   and name HA1 ))
   (( segid "    " and resid 22   and name HA  ))
      4.300     2.300     1.700 peak  2442 spectrum    1 weight  0.10000E+01 volume  0.56979E-03 ppm1      4.069 ppm2      4.729 CV     1
 OR { 2442}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 22   and name HA  ))
 OR { 2442}
   (( segid "    " and resid 23   and name HA2 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI { 2443}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 46   and name HG1 ))
      3.400     3.400     2.600 peak  2443 spectrum    1 weight  0.10000E+01 volume  0.34985E-03 ppm1      3.898 ppm2      2.824 CV     1
 OR { 2443}
   (( segid "    " and resid 66   and name HA2 ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 2455}
   (( segid "    " and resid 66   and name HA2 ))
   (  segid "    " and resid 65   and name HB% )
      3.900     1.900     1.900 peak  2455 spectrum    1 weight  0.10000E+01 volume  0.56401E-03 ppm1      3.890 ppm2      1.382 CV     1
 OR { 2455}
   (( segid "    " and resid 28   and name HA2 ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 2480}
   (( segid "    " and resid 80   and name HA2 ))
   (( segid "    " and resid 82   and name HN  ))
      3.800     1.800     1.800 peak  2480 spectrum    1 weight  0.10000E+01 volume  0.90158E-03 ppm1      4.020 ppm2      8.288 CV     1
 OR { 2480}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 82   and name HN  ))
 OR { 2480}
   (( segid "    " and resid 80   and name HA1 ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 2493}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 83   and name HB% )
      3.000     1.100     1.100 peak  2493 spectrum    1 weight  0.10000E+01 volume  0.32831E-02 ppm1      4.021 ppm2      1.606 CV     1
 OR { 2493}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 81   and name HB% )
 OR { 2493}
   (( segid "    " and resid 80   and name HA1 ))
   (  segid "    " and resid 83   and name HB% )
 OR { 2493}
   (( segid "    " and resid 80   and name HA2 ))
   (  segid "    " and resid 81   and name HB% )
 ASSI { 2504}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 58   and name HA  ))
      3.500     1.500     1.500 peak  2504 spectrum    1 weight  0.10000E+01 volume  0.10525E-02 ppm1      4.089 ppm2      4.680 CV     1
 OR { 2504}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 58   and name HA  ))
 OR { 2504}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HA  ))
 ASSI { 2507}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 56   and name HB2 ))
      5.400     3.700     0.600 peak  2507 spectrum    1 weight  0.10000E+01 volume  0.18534E-03 ppm1      4.083 ppm2      2.780 CV     1
 OR { 2507}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 56   and name HB2 ))
 OR { 2507}
   (( segid "    " and resid 57   and name HA1 ))
   (( segid "    " and resid 53   and name HG1 ))
 OR { 2507}
   (( segid "    " and resid 57   and name HA2 ))
   (( segid "    " and resid 53   and name HG1 ))
 ASSI { 2508}
   (( segid "    " and resid 57   and name HA1 ))
   (  segid "    " and resid 58   and name HG2%)
      4.200     2.200     1.800 peak  2508 spectrum    1 weight  0.10000E+01 volume  0.11533E-02 ppm1      4.090 ppm2      0.963 CV     1
 OR { 2508}
   (( segid "    " and resid 57   and name HA2 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 2508}
   (( segid "    " and resid 57   and name HA1 ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 2515}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 38   and name HD1%)
      3.200     3.200     2.800 peak  2515 spectrum    1 weight  0.10000E+01 volume  0.66249E-03 ppm1      2.807 ppm2      0.873 CV     1
 OR { 2515}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 14   and name HD2%)
 OR { 2515}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 2517}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 64   and name HG2%)
      2.300     0.600     0.600 peak  2517 spectrum    1 weight  0.10000E+01 volume  0.60078E-02 ppm1      3.572 ppm2      1.020 CV     1
 OR { 2517}
   (( segid "    " and resid 61   and name HD2 ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 2520}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 64   and name HG2%)
      3.500     1.500     1.500 peak  2520 spectrum    1 weight  0.10000E+01 volume  0.39589E-02 ppm1      4.009 ppm2      1.019 CV     1
 OR { 2520}
   (( segid "    " and resid 61   and name HD1 ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI { 2536}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 65   and name HN  ))
      4.900     3.000     1.100 peak  2536 spectrum    1 weight  0.10000E+01 volume  0.31836E-03 ppm1      3.574 ppm2      8.196 CV     1
 OR { 2536}
   (( segid "    " and resid 61   and name HD2 ))
   (( segid "    " and resid 60   and name HN  ))
 ASSI { 2540}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.500     1.500 peak  2540 spectrum    1 weight  0.10000E+01 volume  0.44898E-03 ppm1      2.814 ppm2      7.207 CV     1
 OR { 2540}
   (( segid "    " and resid 71   and name HD2 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 2542}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 35   and name HN  ))
      3.200     3.200     2.800 peak  2542 spectrum    1 weight  0.10000E+01 volume  0.44635E-03 ppm1      2.808 ppm2      8.457 CV     1
 OR { 2542}
   (( segid "    " and resid 71   and name HD2 ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 2544}
   (( segid "    " and resid 71   and name HD1 ))
   (( segid "    " and resid 33   and name HN  ))
      3.500     1.600     1.600 peak  2544 spectrum    1 weight  0.10000E+01 volume  0.69600E-03 ppm1      4.028 ppm2      7.205 CV     1
 OR { 2544}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 2546}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 60   and name HN  ))
      4.700     2.700     1.300 peak  2546 spectrum    1 weight  0.10000E+01 volume  0.25530E-03 ppm1      4.013 ppm2      8.185 CV     1
 OR { 2546}
   (( segid "    " and resid 61   and name HD1 ))
   (( segid "    " and resid 65   and name HN  ))
 ASSI { 2560}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 38   and name HD1%)
      3.100     3.100     2.900 peak  2560 spectrum    1 weight  0.10000E+01 volume  0.63470E-03 ppm1      4.028 ppm2      0.876 CV     1
 OR { 2560}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 14   and name HD2%)
 OR { 2560}
   (( segid "    " and resid 71   and name HD1 ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 2566}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.800     1.000     1.000 peak  2566 spectrum    1 weight  0.10000E+01 volume  0.33245E-02 ppm1      4.367 ppm2      7.830 CV     1
 OR { 2566}
   (( segid "    " and resid 18   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 2579}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.100     0.600     0.600 peak  2579 spectrum    1 weight  0.10000E+01 volume  0.13806E-01 ppm1      4.714 ppm2      8.470 CV     1
 OR { 2579}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
 OR { 2579}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 23   and name HN  ))
 ASSI { 2597}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.600     0.800     0.800 peak  2597 spectrum    1 weight  0.10000E+01 volume  0.59164E-02 ppm1      4.717 ppm2      2.857 CV     1
 OR { 2597}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
 OR { 2597}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI { 2606}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 84   and name HB2 ))
      3.300     1.300     1.300 peak  2606 spectrum    1 weight  0.10000E+01 volume  0.14211E-02 ppm1      4.458 ppm2      2.127 CV     1
 OR { 2606}
   (( segid "    " and resid 81   and name HA  ))
   (( segid "    " and resid 58   and name HB  ))
 ASSI { 2617}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 70   and name HG2%)
      3.100     1.200     1.200 peak  2617 spectrum    1 weight  0.10000E+01 volume  0.21879E-02 ppm1      5.042 ppm2      1.073 CV     1
 OR { 2617}
   (( segid "    " and resid 32   and name HA  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI { 2623}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
      2.600     2.600     3.400 peak  2623 spectrum    1 weight  0.10000E+01 volume  0.17349E-02 ppm1      4.280 ppm2      0.875 CV     1
 OR { 2623}
   (( segid "    " and resid 83   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 2632}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 34   and name HB1 ))
      5.100     3.300     0.900 peak  2632 spectrum    1 weight  0.10000E+01 volume  0.41269E-03 ppm1      4.308 ppm2      2.162 CV     1
 OR { 2632}
   (( segid "    " and resid 33   and name HA  ))
   (( segid "    " and resid 71   and name HG1 ))
 ASSI { 2642}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 35   and name HN  ))
      2.200     0.600     0.600 peak  2642 spectrum    1 weight  0.10000E+01 volume  0.61777E-02 ppm1      4.732 ppm2      8.457 CV     1
 OR { 2642}
   (( segid "    " and resid 34   and name HA  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI { 2663}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.100     1.200     1.200 peak  2663 spectrum    1 weight  0.10000E+01 volume  0.15437E-02 ppm1      4.399 ppm2      8.212 CV     1
 OR { 2663}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2679}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      3.500     1.600     1.600 peak  2679 spectrum    1 weight  0.10000E+01 volume  0.20477E-02 ppm1      4.399 ppm2      2.258 CV     1
 OR { 2679}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI { 2695}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 64   and name HG1%)
      2.600     0.900     0.900 peak  2695 spectrum    1 weight  0.10000E+01 volume  0.48825E-02 ppm1      3.986 ppm2      0.966 CV     1
 OR { 2695}
   (( segid "    " and resid 65   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
 OR { 2695}
   (( segid "    " and resid 65   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 2696}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      2.600     0.800     0.800 peak  2696 spectrum    1 weight  0.10000E+01 volume  0.42724E-02 ppm1      3.949 ppm2      0.854 CV     1
 OR { 2696}
   (( segid "    " and resid 49   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 2697}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 4    and name HD2%)
      2.400     0.700     0.700 peak  2697 spectrum    1 weight  0.10000E+01 volume  0.44306E-02 ppm1      4.358 ppm2      0.978 CV     1
 OR { 2697}
   (( segid "    " and resid 4    and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 2734}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.700     1.700     1.700 peak  2734 spectrum    1 weight  0.10000E+01 volume  0.10391E-02 ppm1      4.395 ppm2      2.024 CV     1
 OR { 2734}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 2734}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 2734}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI { 2752}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 62   and name HB2 ))
      2.600     0.900     0.900 peak  2752 spectrum    1 weight  0.10000E+01 volume  0.52879E-02 ppm1      4.452 ppm2      2.748 CV     1
 OR { 2752}
   (( segid "    " and resid 62   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 2760}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 83   and name HB% )
      4.100     2.100     1.900 peak  2760 spectrum    1 weight  0.10000E+01 volume  0.74077E-03 ppm1      4.387 ppm2      1.596 CV     1
 OR { 2760}
   (( segid "    " and resid 84   and name HA  ))
   (  segid "    " and resid 85   and name HB% )
 ASSI { 2764}
   (( segid "    " and resid 82   and name HA  ))
   (( segid "    " and resid 82   and name HB2 ))
      2.700     0.900     0.900 peak  2764 spectrum    1 weight  0.10000E+01 volume  0.59127E-02 ppm1      4.212 ppm2      1.563 CV     1
 OR { 2764}
   (( segid "    " and resid 82   and name HA  ))
   (  segid "    " and resid 85   and name HB% )
 ASSI { 2767}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      3.800     1.800     1.800 peak  2767 spectrum    1 weight  0.10000E+01 volume  0.17265E-02 ppm1      3.946 ppm2      2.212 CV     1
 OR { 2767}
   (( segid "    " and resid 49   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2791}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
      3.200     1.300     1.300 peak  2791 spectrum    1 weight  0.10000E+01 volume  0.12574E-02 ppm1      3.888 ppm2      8.244 CV     1
 OR { 2791}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HN  ))
 ASSI { 2793}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
      3.600     1.700     1.700 peak  2793 spectrum    1 weight  0.10000E+01 volume  0.88779E-03 ppm1      3.304 ppm2      8.043 CV     1
 OR { 2793}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
 ASSI { 2794}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 33   and name HN  ))
      3.700     1.700     1.700 peak  2794 spectrum    1 weight  0.10000E+01 volume  0.77888E-03 ppm1      3.306 ppm2      7.209 CV     1
 OR { 2794}
   (( segid "    " and resid 31   and name HA  ))
   (  segid "    " and resid 30   and name HE% )
 ASSI { 2801}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      3.200     1.300     1.300 peak  2801 spectrum    1 weight  0.10000E+01 volume  0.15554E-02 ppm1      4.306 ppm2      8.105 CV     1
 OR { 2801}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 OR { 2801}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 2813}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      3.300     1.300     1.300 peak  2813 spectrum    1 weight  0.10000E+01 volume  0.17732E-02 ppm1      4.620 ppm2      8.840 CV     1
 OR { 2813}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI { 2815}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 30   and name HN  ))
      2.800     0.900     0.900 peak  2815 spectrum    1 weight  0.10000E+01 volume  0.25522E-02 ppm1      4.738 ppm2      8.044 CV     1
 OR { 2815}
   (( segid "    " and resid 30   and name HA  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 2828}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      3.700     1.700     1.700 peak  2828 spectrum    1 weight  0.10000E+01 volume  0.61524E-03 ppm1      4.395 ppm2      7.821 CV     1
 OR { 2828}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2850}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.900     1.000     1.000 peak  2850 spectrum    1 weight  0.10000E+01 volume  0.22379E-02 ppm1      3.887 ppm2      1.934 CV     1
 OR { 2850}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 2854}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
      2.600     0.900     0.900 peak  2854 spectrum    1 weight  0.10000E+01 volume  0.25681E-02 ppm1      3.304 ppm2      1.629 CV     1
 OR { 2854}
   (( segid "    " and resid 31   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI { 2862}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.900     1.100     1.100 peak  2862 spectrum    1 weight  0.10000E+01 volume  0.30091E-02 ppm1      4.549 ppm2      2.024 CV     1
 OR { 2862}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR { 2862}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 2862}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 2863}
   (( segid "    " and resid 40   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
      2.700     0.900     0.900 peak  2863 spectrum    1 weight  0.10000E+01 volume  0.35756E-02 ppm1      4.582 ppm2      1.519 CV     1
 OR { 2863}
   (( segid "    " and resid 40   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2865}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HB  ))
      4.700     2.700     1.300 peak  2865 spectrum    1 weight  0.10000E+01 volume  0.43957E-03 ppm1      4.402 ppm2      2.248 CV     1
 OR { 2865}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
 OR { 2865}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI { 2871}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      3.100     3.100     2.900 peak  2871 spectrum    1 weight  0.10000E+01 volume  0.13123E-02 ppm1      4.262 ppm2      2.184 CV     1
 OR { 2871}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 64   and name HB  ))
 ASSI { 2872}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.800     1.000     1.000 peak  2872 spectrum    1 weight  0.10000E+01 volume  0.27409E-02 ppm1      4.307 ppm2      2.420 CV     1
 OR { 2872}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 2873}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.400     0.700     0.700 peak  2873 spectrum    1 weight  0.10000E+01 volume  0.30074E-02 ppm1      4.306 ppm2      2.215 CV     1
 OR { 2873}
   (( segid "    " and resid 52   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2876}
   (( segid "    " and resid 46   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      2.900     1.100     1.100 peak  2876 spectrum    1 weight  0.10000E+01 volume  0.36141E-02 ppm1      4.257 ppm2      1.524 CV     1
 OR { 2876}
   (( segid "    " and resid 43   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 OR { 2876}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 2877}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
      3.300     3.300     2.700 peak  2877 spectrum    1 weight  0.10000E+01 volume  0.34178E-02 ppm1      4.306 ppm2      1.519 CV     1
 OR { 2877}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI { 2880}
   (( segid "    " and resid 43   and name HA  ))
   (( segid "    " and resid 43   and name HB1 ))
      2.300     0.700     0.700 peak  2880 spectrum    1 weight  0.10000E+01 volume  0.76246E-02 ppm1      4.274 ppm2      1.896 CV     1
 OR { 2880}
   (( segid "    " and resid 77   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 2881}
   (( segid "    " and resid 74   and name HA  ))
   (( segid "    " and resid 74   and name HB2 ))
      2.100     0.600     0.600 peak  2881 spectrum    1 weight  0.10000E+01 volume  0.61813E-02 ppm1      4.305 ppm2      1.693 CV     1
 OR { 2881}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI { 2888}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.200     0.600     0.600 peak  2888 spectrum    1 weight  0.10000E+01 volume  0.61301E-02 ppm1      3.888 ppm2      1.519 CV     1
 OR { 2888}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 2889}
   (( segid "    " and resid 45   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
      2.700     0.900     0.900 peak  2889 spectrum    1 weight  0.10000E+01 volume  0.19787E-02 ppm1      3.886 ppm2      1.352 CV     1
 OR { 2889}
   (( segid "    " and resid 75   and name HA  ))
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 2893}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
      3.200     1.300     1.300 peak  2893 spectrum    1 weight  0.10000E+01 volume  0.14358E-02 ppm1      3.887 ppm2      1.051 CV     1
 OR { 2893}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
 OR { 2893}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 2893}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
 OR { 2893}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 2894}
   (( segid "    " and resid 75   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      3.000     1.200     1.200 peak  2894 spectrum    1 weight  0.10000E+01 volume  0.26028E-02 ppm1      3.887 ppm2      1.119 CV     1
 OR { 2894}
   (( segid "    " and resid 45   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 2898}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.700     0.900     0.900 peak  2898 spectrum    1 weight  0.10000E+01 volume  0.58358E-02 ppm1      4.549 ppm2      2.697 CV     1
 OR { 2898}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 2902}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 48   and name HG2%)
      3.000     1.100     1.100 peak  2902 spectrum    1 weight  0.10000E+01 volume  0.26986E-02 ppm1      4.395 ppm2      1.123 CV     1
 OR { 2902}
   (( segid "    " and resid 14   and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 2903}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD2%)
      1.900     0.400     0.400 peak  2903 spectrum    1 weight  0.10000E+01 volume  0.16777E-01 ppm1      4.305 ppm2      1.044 CV     1
 OR { 2903}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 OR { 2903}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 74   and name HD2%)
 ASSI { 2906}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 10   and name HD1%)
      2.100     0.600     0.600 peak  2906 spectrum    1 weight  0.10000E+01 volume  0.98456E-02 ppm1      4.209 ppm2      1.041 CV     1
 OR { 2906}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 2908}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 60   and name HG2%)
      2.600     0.900     0.900 peak  2908 spectrum    1 weight  0.10000E+01 volume  0.36970E-02 ppm1      4.650 ppm2      1.015 CV     1
 OR { 2908}
   (( segid "    " and resid 60   and name HA  ))
   (  segid "    " and resid 64   and name HG2%)
 ASSI { 2911}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 15   and name HG2%)
      4.300     2.300     1.700 peak  2911 spectrum    1 weight  0.10000E+01 volume  0.88629E-03 ppm1      4.625 ppm2      1.126 CV     1
 OR { 2911}
   (( segid "    " and resid 8    and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 2914}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.700     1.700     1.700 peak  2914 spectrum    1 weight  0.10000E+01 volume  0.21002E-02 ppm1      4.305 ppm2      0.854 CV     1
 OR { 2914}
   (( segid "    " and resid 52   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
 OR { 2914}
   (( segid "    " and resid 74   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI { 2916}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
      3.100     1.200     1.200 peak  2916 spectrum    1 weight  0.10000E+01 volume  0.15769E-02 ppm1      4.207 ppm2      0.868 CV     1
 OR { 2916}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
 OR { 2916}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 2917}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      4.200     2.200     1.800 peak  2917 spectrum    1 weight  0.10000E+01 volume  0.65773E-03 ppm1      4.209 ppm2      0.779 CV     1
 OR { 2917}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 OR { 2917}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 2931}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
      3.200     1.200     1.200 peak  2931 spectrum    1 weight  0.10000E+01 volume  0.21103E-02 ppm1      4.228 ppm2      8.224 CV     1
 OR { 2931}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HN  ))
 OR { 2931}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI { 2934}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 55   and name HN  ))
      2.600     0.900     0.900 peak  2934 spectrum    1 weight  0.10000E+01 volume  0.48218E-02 ppm1      4.090 ppm2      8.094 CV     1
 OR { 2934}
   (( segid "    " and resid 55   and name HA  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI { 2936}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.600     0.800     0.800 peak  2936 spectrum    1 weight  0.10000E+01 volume  0.56530E-02 ppm1      4.563 ppm2      7.821 CV     1
 OR { 2936}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 2948}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
      2.600     0.800     0.800 peak  2948 spectrum    1 weight  0.10000E+01 volume  0.50170E-02 ppm1      4.235 ppm2      8.112 CV     1
 OR { 2948}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 51   and name HN  ))
 ASSI { 2958}
   (( segid "    " and resid 27   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
      3.100     1.200     1.200 peak  2958 spectrum    1 weight  0.10000E+01 volume  0.14919E-02 ppm1      4.298 ppm2      7.321 CV     1
 OR { 2958}
   (( segid "    " and resid 27   and name HA  ))
   (  segid "    " and resid 30   and name HD% )
 ASSI { 2961}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
      3.500     1.500     1.500 peak  2961 spectrum    1 weight  0.10000E+01 volume  0.93437E-03 ppm1      4.361 ppm2      7.714 CV     1
 OR { 2961}
   (( segid "    " and resid 36   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI { 2964}
   (( segid "    " and resid 58   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
      2.700     0.900     0.900 peak  2964 spectrum    1 weight  0.10000E+01 volume  0.25409E-02 ppm1      4.681 ppm2      7.529 CV     1
 OR { 2964}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 58   and name HN  ))
 ASSI { 2978}
   (( segid "    " and resid 73   and name HA  ))
   (( segid "    " and resid 76   and name HB1 ))
      2.600     0.800     0.800 peak  2978 spectrum    1 weight  0.10000E+01 volume  0.37671E-02 ppm1      4.245 ppm2      2.760 CV     1
 OR { 2978}
   (( segid "    " and resid 46   and name HA  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI { 2984}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.700     0.900     0.900 peak  2984 spectrum    1 weight  0.10000E+01 volume  0.53437E-02 ppm1      4.227 ppm2      2.338 CV     1
 OR { 2984}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR { 2984}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI { 2985}
   (( segid "    " and resid 47   and name HA  ))
   (( segid "    " and resid 47   and name HB2 ))
      2.300     0.700     0.700 peak  2985 spectrum    1 weight  0.10000E+01 volume  0.76928E-02 ppm1      4.230 ppm2      2.199 CV     1
 OR { 2985}
   (( segid "    " and resid 51   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 2993}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.300     0.600     0.600 peak  2993 spectrum    1 weight  0.10000E+01 volume  0.91697E-02 ppm1      4.029 ppm2      2.024 CV     1
 OR { 2993}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 2993}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI { 3005}
   (( segid "    " and resid 47   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
      2.400     0.700     0.700 peak  3005 spectrum    1 weight  0.10000E+01 volume  0.68820E-02 ppm1      4.227 ppm2      1.648 CV     1
 OR { 3005}
   (( segid "    " and resid 51   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 3007}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      2.700     0.900     0.900 peak  3007 spectrum    1 weight  0.10000E+01 volume  0.79850E-02 ppm1      4.680 ppm2      0.963 CV     1
 OR { 3007}
   (( segid "    " and resid 56   and name HA  ))
   (( segid "    " and resid 55   and name HG2 ))
 OR { 3007}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 3007}
   (( segid "    " and resid 56   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 3007}
   (( segid "    " and resid 58   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 3014}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HN  ))
      3.100     1.200     1.200 peak  3014 spectrum    1 weight  0.10000E+01 volume  0.16225E-02 ppm1      3.605 ppm2      8.717 CV     1
 OR { 3014}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 76   and name HN  ))
 ASSI { 3019}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.000     1.100     1.100 peak  3019 spectrum    1 weight  0.10000E+01 volume  0.14679E-02 ppm1      3.522 ppm2      7.332 CV     1
 OR { 3019}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HE  ))
 ASSI { 3029}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.100     0.500     0.500 peak  3029 spectrum    1 weight  0.10000E+01 volume  0.20874E-01 ppm1      4.381 ppm2      4.109 CV     1
 OR { 3029}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR { 3029}
   (( segid "    " and resid 54   and name HA  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI { 3030}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 53   and name HG1 ))
      2.700     0.900     0.900 peak  3030 spectrum    1 weight  0.10000E+01 volume  0.39336E-02 ppm1      4.088 ppm2      2.764 CV     1
 OR { 3030}
   (( segid "    " and resid 53   and name HA  ))
   (( segid "    " and resid 56   and name HB2 ))
 ASSI { 3034}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 40   and name HB2 ))
      4.700     2.800     1.300 peak  3034 spectrum    1 weight  0.10000E+01 volume  0.62629E-03 ppm1      4.257 ppm2      2.806 CV     1
 OR { 3034}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI { 3041}
   (( segid "    " and resid 42   and name HA  ))
   (  segid "    " and resid 65   and name HB% )
      3.900     1.900     1.900 peak  3041 spectrum    1 weight  0.10000E+01 volume  0.14300E-02 ppm1      4.258 ppm2      1.372 CV     1
 OR { 3041}
   (( segid "    " and resid 42   and name HA  ))
   (( segid "    " and resid 45   and name HG  ))
 ASSI { 3049}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.500     0.800     0.800 peak  3049 spectrum    1 weight  0.10000E+01 volume  0.38656E-02 ppm1      3.606 ppm2      1.635 CV     1
 OR { 3049}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG1 ))
 OR { 3049}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI { 3050}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 72   and name HG2 ))
      2.800     1.000     1.000 peak  3050 spectrum    1 weight  0.10000E+01 volume  0.43617E-02 ppm1      3.606 ppm2      1.528 CV     1
 OR { 3050}
   (( segid "    " and resid 72   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 3052}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      3.400     1.400     1.400 peak  3052 spectrum    1 weight  0.10000E+01 volume  0.11239E-02 ppm1      3.523 ppm2      1.890 CV     1
 OR { 3052}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HG  ))
 ASSI { 3053}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG1 ))
      2.800     1.000     1.000 peak  3053 spectrum    1 weight  0.10000E+01 volume  0.22514E-02 ppm1      3.521 ppm2      1.410 CV     1
 OR { 3053}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI { 3054}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.200     1.300     1.300 peak  3054 spectrum    1 weight  0.10000E+01 volume  0.21666E-02 ppm1      3.520 ppm2      0.891 CV     1
 OR { 3054}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 3055}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HG2 ))
      2.900     1.100     1.100 peak  3055 spectrum    1 weight  0.10000E+01 volume  0.26486E-02 ppm1      3.522 ppm2      1.154 CV     1
 OR { 3055}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI { 3090}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 70   and name HN  ))
      3.400     1.400     1.400 peak  3090 spectrum    1 weight  0.10000E+01 volume  0.18973E-02 ppm1      4.439 ppm2      7.473 CV     1
 OR { 3090}
   (( segid "    " and resid 68   and name HA  ))
   (( segid "    " and resid 67   and name HN  ))
 ASSI { 3092}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 38   and name HN  ))
      2.600     0.900     0.900 peak  3092 spectrum    1 weight  0.10000E+01 volume  0.35183E-02 ppm1      4.660 ppm2      7.710 CV     1
 OR { 3092}
   (( segid "    " and resid 38   and name HA  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 3149}
   (( segid "    " and resid 35   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
      2.700     0.900     0.900 peak  3149 spectrum    1 weight  0.10000E+01 volume  0.30492E-02 ppm1      4.370 ppm2      0.871 CV     1
 OR { 3149}
   (( segid "    " and resid 3    and name HA  ))
   (  segid "    " and resid 4    and name HD1%)
 ASSI { 3154}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak  3154 spectrum    1 weight  0.10000E+01 volume  0.36235E-02 ppm1      4.137 ppm2      7.820 CV     1
 OR { 3154}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 3155}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak  3155 spectrum    1 weight  0.10000E+01 volume  0.39418E-02 ppm1      4.053 ppm2      7.821 CV     1
 OR { 3155}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 3176}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 58   and name HA  ))
      4.200     2.200     1.800 peak  3176 spectrum    1 weight  0.10000E+01 volume  0.55311E-03 ppm1      3.749 ppm2      4.672 CV     1
 OR { 3176}
   (( segid "    " and resid 59   and name HB2 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 3177}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 58   and name HA  ))
      4.100     2.100     1.900 peak  3177 spectrum    1 weight  0.10000E+01 volume  0.55156E-03 ppm1      3.799 ppm2      4.668 CV     1
 OR { 3177}
   (( segid "    " and resid 59   and name HB1 ))
   (( segid "    " and resid 60   and name HA  ))
 ASSI { 3178}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.300     1.300 peak  3178 spectrum    1 weight  0.10000E+01 volume  0.10099E-02 ppm1      4.044 ppm2      4.403 CV     1
 OR { 3178}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI { 3181}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      3.300     1.300     1.300 peak  3181 spectrum    1 weight  0.10000E+01 volume  0.10148E-02 ppm1      4.136 ppm2      4.397 CV     1
 OR { 3181}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 18   and name HA  ))
 OR { 3181}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 48   and name HB  ))
 ASSI { 3184}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HB2 ))
      4.800     2.900     1.200 peak  3184 spectrum    1 weight  0.10000E+01 volume  0.52802E-03 ppm1      4.054 ppm2      2.208 CV     1
 OR { 3184}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI { 3186}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 67   and name HB1 ))
      3.000     1.100     1.100 peak  3186 spectrum    1 weight  0.10000E+01 volume  0.13792E-02 ppm1      3.826 ppm2      2.078 CV     1
 OR { 3186}
   (( segid "    " and resid 64   and name HA  ))
   (( segid "    " and resid 61   and name HB2 ))
 ASSI { 3190}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 78   and name HB  ))
      2.800     1.000     1.000 peak  3190 spectrum    1 weight  0.10000E+01 volume  0.24957E-02 ppm1      3.739 ppm2      1.934 CV     1
 OR { 3190}
   (( segid "    " and resid 78   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 3192}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 81   and name HB% )
      2.700     0.900     0.900 peak  3192 spectrum    1 weight  0.10000E+01 volume  0.35283E-02 ppm1      3.739 ppm2      1.624 CV     1
 OR { 3192}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 81   and name HB% )
 ASSI { 3195}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 48   and name HG2%)
      4.400     2.400     1.600 peak  3195 spectrum    1 weight  0.10000E+01 volume  0.45710E-03 ppm1      4.138 ppm2      1.124 CV     1
 OR { 3195}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 3196}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 48   and name HG2%)
      4.100     2.100     1.900 peak  3196 spectrum    1 weight  0.10000E+01 volume  0.58208E-03 ppm1      4.052 ppm2      1.120 CV     1
 OR { 3196}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI { 3197}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 44   and name HB% )
      3.800     1.800     1.800 peak  3197 spectrum    1 weight  0.10000E+01 volume  0.98596E-03 ppm1      4.137 ppm2      1.524 CV     1
 OR { 3197}
   (( segid "    " and resid 17   and name HB1 ))
   (  segid "    " and resid 18   and name HB% )
 ASSI { 3198}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 18   and name HB% )
      4.100     2.100     1.900 peak  3198 spectrum    1 weight  0.10000E+01 volume  0.11089E-02 ppm1      4.053 ppm2      1.529 CV     1
 OR { 3198}
   (( segid "    " and resid 17   and name HB2 ))
   (  segid "    " and resid 44   and name HB% )
 ASSI { 3200}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 58   and name HG2%)
      3.100     1.200     1.200 peak  3200 spectrum    1 weight  0.10000E+01 volume  0.22633E-02 ppm1      3.739 ppm2      0.966 CV     1
 OR { 3200}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 82   and name HD2%)
 OR { 3200}
   (( segid "    " and resid 59   and name HB2 ))
   (  segid "    " and resid 58   and name HG2%)
 OR { 3200}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 3201}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 78   and name HG2%)
      2.300     0.600     0.600 peak  3201 spectrum    1 weight  0.10000E+01 volume  0.79582E-02 ppm1      3.739 ppm2      0.861 CV     1
 OR { 3201}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 60   and name HD1%)
 OR { 3201}
   (( segid "    " and resid 78   and name HA  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 3213}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 47   and name HG1 ))
      5.200     3.300     0.800 peak  3213 spectrum    1 weight  0.10000E+01 volume  0.29087E-03 ppm1      4.059 ppm2      2.608 CV     1
 OR { 3213}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 16   and name HG1 ))
 ASSI { 3227}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      3.300     1.400     1.400 peak  3227 spectrum    1 weight  0.10000E+01 volume  0.14943E-02 ppm1      3.938 ppm2      8.224 CV     1
 OR { 3227}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI { 3228}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      3.300     1.400     1.400 peak  3228 spectrum    1 weight  0.10000E+01 volume  0.12140E-02 ppm1      3.937 ppm2      7.825 CV     1
 OR { 3228}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI { 3246}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.700     0.900     0.900 peak  3246 spectrum    1 weight  0.10000E+01 volume  0.30480E-02 ppm1      4.226 ppm2      2.422 CV     1
 OR { 3246}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 3249}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 10   and name HG  ))
      4.500     2.500     1.500 peak  3249 spectrum    1 weight  0.10000E+01 volume  0.38921E-03 ppm1      4.222 ppm2      1.894 CV     1
 OR { 3249}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 72   and name HB1 ))
 OR { 3249}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI { 3256}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
      4.700     2.800     1.300 peak  3256 spectrum    1 weight  0.10000E+01 volume  0.37952E-03 ppm1      4.224 ppm2      1.567 CV     1
 OR { 3256}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI { 3258}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 10   and name HD2%)
      2.900     1.100     1.100 peak  3258 spectrum    1 weight  0.10000E+01 volume  0.22935E-02 ppm1      4.225 ppm2      1.118 CV     1
 OR { 3258}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 68   and name HG1%)
 ASSI { 3259}
   (( segid "    " and resid 71   and name HA  ))
   (( segid "    " and resid 74   and name HG  ))
      3.900     1.900     1.900 peak  3259 spectrum    1 weight  0.10000E+01 volume  0.14337E-02 ppm1      4.225 ppm2      0.982 CV     1
 OR { 3259}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 3262}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 42   and name H31%)
      3.900     1.900     1.900 peak  3262 spectrum    1 weight  0.10000E+01 volume  0.54991E-03 ppm1      4.344 ppm2      1.071 CV     1
 OR { 3262}
   (( segid "    " and resid 42   and name HB2 ))
   (  segid "    " and resid 43   and name HD2%)
 ASSI { 3263}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 14   and name HD2%)
      3.600     1.600     1.600 peak  3263 spectrum    1 weight  0.10000E+01 volume  0.12237E-02 ppm1      4.225 ppm2      0.889 CV     1
 OR { 3263}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 3263}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 3264}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 14   and name HD1%)
      4.000     2.000     2.000 peak  3264 spectrum    1 weight  0.10000E+01 volume  0.75843E-03 ppm1      4.225 ppm2      0.772 CV     1
 OR { 3264}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
 OR { 3264}
   (( segid "    " and resid 71   and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 3271}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 42   and name H28B))
      3.800     1.800     1.800 peak  3271 spectrum    1 weight  0.10000E+01 volume  0.63636E-03 ppm1      4.341 ppm2      3.909 CV     1
 OR { 3271}
   (( segid "    " and resid 42   and name HB2 ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI { 3273}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 42   and name H28B))
      3.700     1.800     1.800 peak  3273 spectrum    1 weight  0.10000E+01 volume  0.72569E-03 ppm1      4.188 ppm2      3.895 CV     1
 OR { 3273}
   (( segid "    " and resid 42   and name HB1 ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI { 3275}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HN  ))
      2.700     0.900     0.900 peak  3275 spectrum    1 weight  0.10000E+01 volume  0.28169E-02 ppm1      3.864 ppm2      8.836 CV     1
 OR { 3275}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
 ASSI { 3284}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      4.800     2.800     1.200 peak  3284 spectrum    1 weight  0.10000E+01 volume  0.31616E-03 ppm1      3.866 ppm2      2.709 CV     1
 OR { 3284}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HB1 ))
 OR { 3284}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI { 3287}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 71   and name HB2 ))
      4.600     2.700     1.400 peak  3287 spectrum    1 weight  0.10000E+01 volume  0.26574E-03 ppm1      3.859 ppm2      2.020 CV     1
 OR { 3287}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR { 3287}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 3290}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.500     1.500     1.500 peak  3290 spectrum    1 weight  0.10000E+01 volume  0.16228E-02 ppm1      3.863 ppm2      1.563 CV     1
 OR { 3290}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 75   and name HB2 ))
 ASSI { 3294}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 31   and name HD2%)
      3.000     1.100     1.100 peak  3294 spectrum    1 weight  0.10000E+01 volume  0.25051E-02 ppm1      3.864 ppm2      0.788 CV     1
 OR { 3294}
   (( segid "    " and resid 7    and name HA  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 3309}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 48   and name HB  ))
      3.400     1.500     1.500 peak  3309 spectrum    1 weight  0.10000E+01 volume  0.87875E-03 ppm1      3.956 ppm2      4.417 CV     1
 OR { 3309}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 14   and name HA  ))
 OR { 3309}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI { 3320}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB1 ))
      3.000     1.100     1.100 peak  3320 spectrum    1 weight  0.10000E+01 volume  0.17696E-02 ppm1      3.955 ppm2      2.198 CV     1
 OR { 3320}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HB1 ))
 ASSI { 3321}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 51   and name HB2 ))
      3.100     1.200     1.200 peak  3321 spectrum    1 weight  0.10000E+01 volume  0.16144E-02 ppm1      3.955 ppm2      2.020 CV     1
 OR { 3321}
   (( segid "    " and resid 48   and name HA  ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI { 3322}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 13   and name HB% )
      3.600     1.600     1.600 peak  3322 spectrum    1 weight  0.10000E+01 volume  0.78296E-03 ppm1      3.957 ppm2      1.669 CV     1
 OR { 3322}
   (( segid "    " and resid 48   and name HA  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI { 3330}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 31   and name HD2%)
      4.700     2.800     1.300 peak  3330 spectrum    1 weight  0.10000E+01 volume  0.39910E-03 ppm1      4.316 ppm2      0.784 CV     1
 OR { 3330}
   (( segid "    " and resid 7    and name HB  ))
   (  segid "    " and resid 75   and name HD1%)
 ASSI { 3352}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 82   and name HD2%)
      3.600     1.600     1.600 peak  3352 spectrum    1 weight  0.10000E+01 volume  0.10851E-02 ppm1      4.181 ppm2      0.981 CV     1
 OR { 3352}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 4    and name HD2%)
 OR { 3352}
   (( segid "    " and resid 3    and name HB  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI { 3375}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HG  ))
      3.800     1.800     1.800 peak  3375 spectrum    1 weight  0.10000E+01 volume  0.68232E-03 ppm1      6.884 ppm2      0.982 CV     1
 OR { 3375}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI { 3379}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 14   and name HD1%)
      4.400     2.400     1.600 peak  3379 spectrum    1 weight  0.10000E+01 volume  0.38252E-03 ppm1      6.884 ppm2      0.761 CV     1
 OR { 3379}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 3391}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 74   and name HB1 ))
      4.600     2.600     1.400 peak  3391 spectrum    1 weight  0.10000E+01 volume  0.22627E-03 ppm1      6.881 ppm2      2.415 CV     1
 OR { 3391}
   (( segid "    " and resid 35   and name HZ  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI { 3395}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 14   and name HD2%)
      5.200     3.300     0.800 peak  3395 spectrum    1 weight  0.10000E+01 volume  0.16139E-03 ppm1      6.886 ppm2      0.884 CV     1
 OR { 3395}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 3395}
   (( segid "    " and resid 35   and name HZ  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 3400}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 14   and name HD2%)
      4.300     2.300     1.700 peak  3400 spectrum    1 weight  0.10000E+01 volume  0.38376E-03 ppm1      7.331 ppm2      0.893 CV     1
 OR { 3400}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 38   and name HD1%)
 OR { 3400}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI { 3401}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 10   and name HD2%)
      3.800     1.800     1.800 peak  3401 spectrum    1 weight  0.10000E+01 volume  0.50765E-03 ppm1      7.339 ppm2      1.128 CV     1
 OR { 3401}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 3402}
   (( segid "    " and resid 30   and name HZ  ))
   (  segid "    " and resid 7    and name HG2%)
      3.700     1.700     1.700 peak  3402 spectrum    1 weight  0.10000E+01 volume  0.76804E-03 ppm1      7.337 ppm2      1.383 CV     1
 OR { 3402}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI { 3406}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.400     1.500     1.500 peak  3406 spectrum    1 weight  0.10000E+01 volume  0.88810E-03 ppm1      7.342 ppm2      2.031 CV     1
 OR { 3406}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 11   and name HB2 ))
 OR { 3406}
   (( segid "    " and resid 30   and name HZ  ))
   (( segid "    " and resid 71   and name HB2 ))
 ASSI { 3411}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      3.000     1.100     1.100 peak  3411 spectrum    1 weight  0.10000E+01 volume  0.16402E-02 ppm1      7.209 ppm2      0.891 CV     1
 OR { 3411}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 3412}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 14   and name HD1%)
      3.500     1.500     1.500 peak  3412 spectrum    1 weight  0.10000E+01 volume  0.74490E-03 ppm1      7.213 ppm2      0.787 CV     1
 OR { 3412}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 26   and name HD2%)
 OR { 3412}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 3416}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 10   and name HD2%)
      3.200     1.300     1.300 peak  3416 spectrum    1 weight  0.10000E+01 volume  0.15074E-02 ppm1      7.209 ppm2      1.128 CV     1
 OR { 3416}
   (  segid "    " and resid 30   and name HE% )
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 3419}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB1 ))
      3.000     1.200     1.200 peak  3419 spectrum    1 weight  0.10000E+01 volume  0.15018E-02 ppm1      7.211 ppm2      2.027 CV     1
 OR { 3419}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 71   and name HB2 ))
 OR { 3419}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 11   and name HB2 ))
 ASSI { 3422}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HB1 ))
      4.400     2.400     1.600 peak  3422 spectrum    1 weight  0.10000E+01 volume  0.55848E-03 ppm1      7.211 ppm2      3.290 CV     1
 OR { 3422}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 3426}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HN  ))
      4.300     2.300     1.700 peak  3426 spectrum    1 weight  0.10000E+01 volume  0.35485E-03 ppm1      7.209 ppm2      8.044 CV     1
 OR { 3426}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 30   and name HN  ))
 OR { 3426}
   (  segid "    " and resid 30   and name HE% )
   (( segid "    " and resid 32   and name HN  ))
 ASSI { 3434}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
      3.500     1.500     1.500 peak  3434 spectrum    1 weight  0.10000E+01 volume  0.77976E-03 ppm1      6.968 ppm2      1.059 CV     1
 OR { 3434}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 10   and name HD1%)
 OR { 3434}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD2%)
 OR { 3434}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 74   and name HD1%)
 ASSI { 3435}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
      3.200     1.300     1.300 peak  3435 spectrum    1 weight  0.10000E+01 volume  0.19756E-02 ppm1      6.967 ppm2      0.872 CV     1
 OR { 3435}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 3441}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      3.100     1.200     1.200 peak  3441 spectrum    1 weight  0.10000E+01 volume  0.12187E-02 ppm1      6.923 ppm2      0.881 CV     1
 OR { 3441}
   (  segid "    " and resid 35   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 3449}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 38   and name HG12))
      4.300     2.300     1.700 peak  3449 spectrum    1 weight  0.10000E+01 volume  0.64710E-03 ppm1      7.113 ppm2      1.530 CV     1
 OR { 3449}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 3450}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 45   and name HB2 ))
      3.000     1.100     1.100 peak  3450 spectrum    1 weight  0.10000E+01 volume  0.35902E-02 ppm1      6.967 ppm2      1.523 CV     1
 OR { 3450}
   (  segid "    " and resid 40   and name HD% )
   (  segid "    " and resid 44   and name HB% )
 OR { 3450}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 38   and name HG12))
 ASSI { 3454}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 38   and name HG11))
      4.500     2.500     1.500 peak  3454 spectrum    1 weight  0.10000E+01 volume  0.48913E-03 ppm1      7.110 ppm2      1.830 CV     1
 OR { 3454}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 34   and name HB2 ))
 ASSI { 3461}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 68   and name HB  ))
      3.300     1.300     1.300 peak  3461 spectrum    1 weight  0.10000E+01 volume  0.77842E-03 ppm1      6.921 ppm2      2.415 CV     1
 OR { 3461}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 3462}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 68   and name HB  ))
      4.800     2.900     1.200 peak  3462 spectrum    1 weight  0.10000E+01 volume  0.30050E-03 ppm1      7.115 ppm2      2.414 CV     1
 OR { 3462}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 74   and name HB1 ))
 ASSI { 3469}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 40   and name HB1 ))
      5.000     3.200     1.000 peak  3469 spectrum    1 weight  0.10000E+01 volume  0.29623E-03 ppm1      6.922 ppm2      3.005 CV     1
 OR { 3469}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 69   and name HB1 ))
 ASSI { 3477}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 35   and name HA  ))
      4.200     2.200     1.800 peak  3477 spectrum    1 weight  0.10000E+01 volume  0.95848E-03 ppm1      6.968 ppm2      4.369 CV     1
 OR { 3477}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 14   and name HA  ))
 OR { 3477}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 36   and name HA  ))
 ASSI { 3478}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 39   and name HA1 ))
      3.600     1.700     1.700 peak  3478 spectrum    1 weight  0.10000E+01 volume  0.55007E-03 ppm1      6.965 ppm2      4.262 CV     1
 OR { 3478}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 42   and name HA  ))
 OR { 3478}
   (  segid "    " and resid 40   and name HD% )
   (( segid "    " and resid 46   and name HA  ))
 ASSI { 3479}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HA  ))
      4.200     2.200     1.800 peak  3479 spectrum    1 weight  0.10000E+01 volume  0.58689E-03 ppm1      6.924 ppm2      4.372 CV     1
 OR { 3479}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
 ASSI { 3485}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 38   and name HN  ))
      5.700     4.100     0.300 peak  3485 spectrum    1 weight  0.10000E+01 volume  0.23629E-03 ppm1      7.114 ppm2      7.716 CV     1
 OR { 3485}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 74   and name HN  ))
 OR { 3485}
   (  segid "    " and resid 35   and name HD% )
   (( segid "    " and resid 39   and name HN  ))
 ASSI { 3494}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 35   and name HN  ))
      5.100     3.200     0.900 peak  3494 spectrum    1 weight  0.10000E+01 volume  0.20885E-03 ppm1      6.925 ppm2      8.462 CV     1
 OR { 3494}
   (  segid "    " and resid 35   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
 ASSI { 3503}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 7    and name HG2%)
      3.500     1.500     1.500 peak  3503 spectrum    1 weight  0.10000E+01 volume  0.10929E-02 ppm1      7.305 ppm2      1.384 CV     1
 OR { 3503}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 33   and name HB2 ))
 ASSI { 3504}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HG  ))
      3.700     1.700     1.700 peak  3504 spectrum    1 weight  0.10000E+01 volume  0.71516E-03 ppm1      7.304 ppm2      1.223 CV     1
 OR { 3504}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 26   and name HB2 ))
 ASSI { 3505}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 33   and name HD2%)
      3.800     1.800     1.800 peak  3505 spectrum    1 weight  0.10000E+01 volume  0.10694E-02 ppm1      7.300 ppm2      1.058 CV     1
 OR { 3505}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HG2%)
 OR { 3505}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HB2 ))
 OR { 3505}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 70   and name HG2%)
 ASSI { 3506}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 38   and name HD1%)
      3.100     1.200     1.200 peak  3506 spectrum    1 weight  0.10000E+01 volume  0.15989E-02 ppm1      7.301 ppm2      0.880 CV     1
 OR { 3506}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 14   and name HD2%)
 ASSI { 3507}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 26   and name HD2%)
      3.800     1.800     1.800 peak  3507 spectrum    1 weight  0.10000E+01 volume  0.99665E-03 ppm1      7.304 ppm2      0.788 CV     1
 OR { 3507}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 14   and name HD1%)
 OR { 3507}
   (  segid "    " and resid 30   and name HD% )
   (  segid "    " and resid 31   and name HD2%)
 ASSI { 3513}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HB2 ))
      3.300     1.300     1.300 peak  3513 spectrum    1 weight  0.10000E+01 volume  0.14575E-02 ppm1      7.439 ppm2      1.614 CV     1
 OR { 3513}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 5    and name HB1 ))
 OR { 3513}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 81   and name HB% )
 ASSI { 3515}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HG1 ))
      3.700     1.700     1.700 peak  3515 spectrum    1 weight  0.10000E+01 volume  0.98090E-03 ppm1      7.439 ppm2      1.381 CV     1
 OR { 3515}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 5    and name HB2 ))
 ASSI { 3516}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD2%)
      2.800     1.000     1.000 peak  3516 spectrum    1 weight  0.10000E+01 volume  0.36992E-02 ppm1      7.437 ppm2      1.012 CV     1
 OR { 3516}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HG2 ))
 OR { 3516}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 82   and name HD2%)
 ASSI { 3517}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 78   and name HG2%)
      3.800     1.800     1.800 peak  3517 spectrum    1 weight  0.10000E+01 volume  0.86331E-03 ppm1      7.437 ppm2      0.868 CV     1
 OR { 3517}
   (  segid "    " and resid 56   and name HD% )
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 3522}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 30   and name HB1 ))
      2.500     0.800     0.800 peak  3522 spectrum    1 weight  0.10000E+01 volume  0.46110E-02 ppm1      7.302 ppm2      3.294 CV     1
 OR { 3522}
   (  segid "    " and resid 30   and name HD% )
   (( segid "    " and resid 31   and name HA  ))
 ASSI { 3525}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 53   and name HA  ))
      4.500     2.500     1.500 peak  3525 spectrum    1 weight  0.10000E+01 volume  0.49158E-03 ppm1      7.439 ppm2      4.084 CV     1
 OR { 3525}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 55   and name HA  ))
 OR { 3525}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 57   and name HA2 ))
 OR { 3525}
   (  segid "    " and resid 56   and name HD% )
   (( segid "    " and resid 57   and name HA1 ))
 ASSI { 3536}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 14   and name HD2%)
      3.200     1.200     1.200 peak  3536 spectrum    1 weight  0.10000E+01 volume  0.14889E-02 ppm1      6.749 ppm2      0.873 CV     1
 OR { 3536}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HD1%)
 ASSI { 3540}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 52   and name HD1%)
      2.700     0.900     0.900 peak  3540 spectrum    1 weight  0.10000E+01 volume  0.12148E-02 ppm1      6.808 ppm2      0.863 CV     1
 OR { 3540}
   (  segid "    " and resid 56   and name HE% )
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 3541}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 18   and name HB% )
      2.700     0.900     0.900 peak  3541 spectrum    1 weight  0.10000E+01 volume  0.40418E-02 ppm1      6.747 ppm2      1.530 CV     1
 OR { 3541}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 44   and name HB% )
 OR { 3541}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HB2 ))
 ASSI { 3543}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 24   and name HG2%)
      2.900     2.900     3.100 peak  3543 spectrum    1 weight  0.10000E+01 volume  0.96458E-03 ppm1      6.749 ppm2      1.257 CV     1
 OR { 3543}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 26   and name HB2 ))
 ASSI { 3544}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 38   and name HG2%)
      3.400     1.400     1.400 peak  3544 spectrum    1 weight  0.10000E+01 volume  0.12668E-02 ppm1      6.751 ppm2      1.050 CV     1
 OR { 3544}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 10   and name HD1%)
 OR { 3544}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 74   and name HD2%)
 OR { 3544}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 74   and name HD1%)
 OR { 3544}
   (  segid "    " and resid 40   and name HE% )
   (  segid "    " and resid 52   and name HD2%)
 ASSI { 3545}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HB2 ))
      2.700     2.700     3.300 peak  3545 spectrum    1 weight  0.10000E+01 volume  0.12120E-02 ppm1      6.808 ppm2      1.614 CV     1
 OR { 3545}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HB1 ))
 ASSI { 3552}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 38   and name HB  ))
      3.500     1.600     1.600 peak  3552 spectrum    1 weight  0.10000E+01 volume  0.65737E-03 ppm1      6.749 ppm2      2.451 CV     1
 OR { 3552}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 47   and name HG2 ))
 ASSI { 3553}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 9    and name HB1 ))
      3.100     1.200     1.200 peak  3553 spectrum    1 weight  0.10000E+01 volume  0.12191E-02 ppm1      6.809 ppm2      3.028 CV     1
 OR { 3553}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HD2 ))
 ASSI { 3565}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
      3.100     1.200     1.200 peak  3565 spectrum    1 weight  0.10000E+01 volume  0.15249E-02 ppm1      6.750 ppm2      4.385 CV     1
 OR { 3565}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 18   and name HA  ))
 OR { 3565}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 48   and name HB  ))
 ASSI { 3566}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 40   and name HA  ))
      4.000     2.000     2.000 peak  3566 spectrum    1 weight  0.10000E+01 volume  0.77098E-03 ppm1      6.752 ppm2      4.585 CV     1
 OR { 3566}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 17   and name HA  ))
 ASSI { 3568}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 9    and name HA  ))
      3.900     1.900     1.900 peak  3568 spectrum    1 weight  0.10000E+01 volume  0.51202E-03 ppm1      6.808 ppm2      4.530 CV     1
 OR { 3568}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 5    and name HA  ))
 ASSI { 3569}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 56   and name HN  ))
      2.900     2.900     3.100 peak  3569 spectrum    1 weight  0.10000E+01 volume  0.80630E-03 ppm1      6.809 ppm2      8.114 CV     1
 OR { 3569}
   (  segid "    " and resid 56   and name HE% )
   (( segid "    " and resid 55   and name HN  ))
 ASSI { 3570}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 45   and name HN  ))
      4.000     2.000     2.000 peak  3570 spectrum    1 weight  0.10000E+01 volume  0.80042E-03 ppm1      6.750 ppm2      8.462 CV     1
 OR { 3570}
   (  segid "    " and resid 40   and name HE% )
   (( segid "    " and resid 15   and name HN  ))
 ASSI {    8}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
      2.600     0.800     0.800 peak     8 spectrum    1 weight  0.10000E+01 volume  0.60671E-02 ppm1      8.226 ppm2      1.520 CV     1
 OR {    8}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {   10}
   (( segid "    " and resid 50   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      2.200     0.600     0.600 peak    10 spectrum    1 weight  0.10000E+01 volume  0.10366E-01 ppm1      8.226 ppm2      4.257 CV     1
 OR {   10}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 OR {   10}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {   13}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HG  ))
      2.400     0.700     0.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.42759E-02 ppm1      8.274 ppm2      1.832 CV     1
 OR {   13}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HG  ))
 ASSI {   15}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      3.000     1.200     1.200 peak    15 spectrum    1 weight  0.10000E+01 volume  0.41044E-02 ppm1      8.273 ppm2      0.969 CV     1
 OR {   15}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {   15}
   (( segid "    " and resid 78   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {   30}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.100     1.200     1.200 peak    30 spectrum    1 weight  0.10000E+01 volume  0.16111E-02 ppm1      7.475 ppm2      2.274 CV     1
 OR {   30}
   (( segid "    " and resid 70   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {   50}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.900     1.100     1.100 peak    50 spectrum    1 weight  0.10000E+01 volume  0.14941E-02 ppm1      9.071 ppm2      1.630 CV     1
 OR {   50}
   (( segid "    " and resid 72   and name HE  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {   83}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.400     2.500     1.600 peak    83 spectrum    1 weight  0.10000E+01 volume  0.49488E-03 ppm1      8.034 ppm2      0.974 CV     1
 OR {   83}
   (( segid "    " and resid 66   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {   84}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
      3.200     1.300     1.300 peak    84 spectrum    1 weight  0.10000E+01 volume  0.45079E-03 ppm1      8.035 ppm2      2.837 CV     1
 OR {   84}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 OR {   84}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {   85}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
      3.800     1.800     1.800 peak    85 spectrum    1 weight  0.10000E+01 volume  0.35229E-03 ppm1      8.035 ppm2      2.744 CV     1
 OR {   85}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {   93}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 62   and name HA  ))
      4.000     2.000     2.000 peak    93 spectrum    1 weight  0.10000E+01 volume  0.43343E-03 ppm1      8.034 ppm2      4.441 CV     1
 OR {   93}
   (( segid "    " and resid 66   and name HN  ))
   (( segid "    " and resid 68   and name HA  ))
 ASSI {   98}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      4.100     2.100     1.900 peak    98 spectrum    1 weight  0.10000E+01 volume  0.31931E-03 ppm1      7.712 ppm2      3.096 CV     1
 OR {   98}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  110}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.500     1.500     1.500 peak   110 spectrum    1 weight  0.10000E+01 volume  0.12379E-02 ppm1      7.714 ppm2      4.358 CV     1
 OR {  110}
   (( segid "    " and resid 39   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  115}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.700     0.900     0.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.33620E-02 ppm1      8.242 ppm2      7.830 CV     1
 OR {  115}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  125}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 78   and name HG2%)
      3.500     1.500     1.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.12416E-02 ppm1      7.330 ppm2      0.881 CV     1
 OR {  125}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  128}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 75   and name HD2%)
      3.200     1.300     1.300 peak   128 spectrum    1 weight  0.10000E+01 volume  0.13238E-02 ppm1      7.669 ppm2      0.874 CV     1
 OR {  128}
   (( segid "    " and resid 79   and name HD22))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  131}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HG  ))
      3.800     1.800     1.800 peak   131 spectrum    1 weight  0.10000E+01 volume  0.79546E-03 ppm1      7.671 ppm2      1.582 CV     1
 OR {  131}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 4    and name HB1 ))
 OR {  131}
   (( segid "    " and resid 79   and name HD22))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  138}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 4    and name HD2%)
      3.600     1.600     1.600 peak   138 spectrum    1 weight  0.10000E+01 volume  0.73220E-03 ppm1      7.329 ppm2      0.964 CV     1
 OR {  138}
   (( segid "    " and resid 79   and name HD21))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  143}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 21   and name HG2%)
      3.500     1.500     1.500 peak   143 spectrum    1 weight  0.10000E+01 volume  0.44684E-03 ppm1      8.491 ppm2      1.247 CV     1
 OR {  143}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  144}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      3.800     1.800     1.800 peak   144 spectrum    1 weight  0.10000E+01 volume  0.55590E-03 ppm1      7.961 ppm2      2.782 CV     1
 OR {  144}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  146}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 56   and name HA  ))
      3.600     1.600     1.600 peak   146 spectrum    1 weight  0.10000E+01 volume  0.83021E-03 ppm1      7.964 ppm2      4.674 CV     1
 OR {  146}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 58   and name HA  ))
 ASSI {  148}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
      2.300     0.700     0.700 peak   148 spectrum    1 weight  0.10000E+01 volume  0.84147E-02 ppm1      7.963 ppm2      4.089 CV     1
 OR {  148}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 OR {  148}
   (( segid "    " and resid 57   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  158}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
      3.600     1.600     1.600 peak   158 spectrum    1 weight  0.10000E+01 volume  0.10497E-02 ppm1      8.417 ppm2      4.477 CV     1
 OR {  158}
   (( segid "    " and resid 80   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
 ASSI {  165}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      4.100     2.200     1.900 peak   165 spectrum    1 weight  0.10000E+01 volume  0.10567E-02 ppm1      8.417 ppm2      1.615 CV     1
 OR {  165}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  166}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      4.400     2.400     1.600 peak   166 spectrum    1 weight  0.10000E+01 volume  0.50932E-03 ppm1      8.417 ppm2      0.968 CV     1
 OR {  166}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 OR {  166}
   (( segid "    " and resid 80   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  179}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.400     1.500     1.500 peak   179 spectrum    1 weight  0.10000E+01 volume  0.16250E-02 ppm1      8.047 ppm2      1.628 CV     1
 OR {  179}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  180}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      3.300     1.300     1.300 peak   180 spectrum    1 weight  0.10000E+01 volume  0.10256E-02 ppm1      8.048 ppm2      1.042 CV     1
 OR {  180}
   (( segid "    " and resid 32   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  185}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      3.600     1.600     1.600 peak   185 spectrum    1 weight  0.10000E+01 volume  0.78033E-03 ppm1      8.047 ppm2      3.303 CV     1
 OR {  185}
   (( segid "    " and resid 32   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  187}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.100     0.600     0.600 peak   187 spectrum    1 weight  0.10000E+01 volume  0.56014E-02 ppm1      7.529 ppm2      4.089 CV     1
 OR {  187}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 OR {  187}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {  189}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 56   and name HB2 ))
      4.100     2.100     1.900 peak   189 spectrum    1 weight  0.10000E+01 volume  0.64596E-03 ppm1      7.530 ppm2      2.778 CV     1
 OR {  189}
   (( segid "    " and resid 58   and name HN  ))
   (( segid "    " and resid 53   and name HG1 ))
 ASSI {  197}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
      3.100     1.200     1.200 peak   197 spectrum    1 weight  0.10000E+01 volume  0.12787E-02 ppm1      7.713 ppm2      3.091 CV     1
 OR {  197}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
 ASSI {  198}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.200     2.300     1.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.98327E-03 ppm1      7.712 ppm2      2.995 CV     1
 OR {  198}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 ASSI {  211}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      3.200     1.300     1.300 peak   211 spectrum    1 weight  0.10000E+01 volume  0.16782E-02 ppm1      8.035 ppm2      4.250 CV     1
 OR {  211}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  212}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
      2.300     0.700     0.700 peak   212 spectrum    1 weight  0.10000E+01 volume  0.84715E-02 ppm1      8.035 ppm2      4.104 CV     1
 OR {  212}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  212}
   (( segid "    " and resid 54   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  215}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
      3.400     1.500     1.500 peak   215 spectrum    1 weight  0.10000E+01 volume  0.16493E-02 ppm1      7.713 ppm2      4.364 CV     1
 OR {  215}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
 ASSI {  217}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      5.000     3.100     1.000 peak   217 spectrum    1 weight  0.10000E+01 volume  0.50003E-03 ppm1      7.713 ppm2      3.880 CV     1
 OR {  217}
   (( segid "    " and resid 38   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 ASSI {  221}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      3.400     1.500     1.500 peak   221 spectrum    1 weight  0.10000E+01 volume  0.22323E-02 ppm1      8.122 ppm2      4.090 CV     1
 OR {  221}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 OR {  221}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA1 ))
 OR {  221}
   (( segid "    " and resid 56   and name HN  ))
   (( segid "    " and resid 57   and name HA2 ))
 ASSI {  235}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.800     1.000     1.000 peak   235 spectrum    1 weight  0.10000E+01 volume  0.22452E-02 ppm1      7.815 ppm2      8.219 CV     1
 OR {  235}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  237}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak   237 spectrum    1 weight  0.10000E+01 volume  0.12528E-02 ppm1      7.816 ppm2      4.389 CV     1
 OR {  237}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 OR {  237}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
 ASSI {  241}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      4.300     2.300     1.700 peak   241 spectrum    1 weight  0.10000E+01 volume  0.38733E-03 ppm1      7.815 ppm2      3.947 CV     1
 OR {  241}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  244}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      4.000     2.000     2.000 peak   244 spectrum    1 weight  0.10000E+01 volume  0.10908E-02 ppm1      7.815 ppm2      2.255 CV     1
 OR {  244}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
 ASSI {  246}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      4.900     3.000     1.100 peak   246 spectrum    1 weight  0.10000E+01 volume  0.36746E-03 ppm1      7.816 ppm2      1.123 CV     1
 OR {  246}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  247}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.800     1.800     1.800 peak   247 spectrum    1 weight  0.10000E+01 volume  0.28509E-03 ppm1      7.819 ppm2      1.037 CV     1
 OR {  247}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 OR {  247}
   (( segid "    " and resid 17   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  248}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 22   and name HN  ))
      2.700     0.900     0.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.51015E-02 ppm1      8.243 ppm2      8.487 CV     1
 OR {  248}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HN  ))
 ASSI {  251}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
      3.500     3.500     2.500 peak   251 spectrum    1 weight  0.10000E+01 volume  0.52678E-03 ppm1      8.243 ppm2      4.056 CV     1
 OR {  251}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 OR {  251}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HA2 ))
 OR {  251}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 23   and name HA1 ))
 ASSI {  256}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      4.400     2.400     1.600 peak   256 spectrum    1 weight  0.10000E+01 volume  0.33327E-03 ppm1      8.923 ppm2      1.508 CV     1
 OR {  256}
   (( segid "    " and resid 42   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  264}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      2.600     0.900     0.900 peak   264 spectrum    1 weight  0.10000E+01 volume  0.36988E-02 ppm1      8.924 ppm2      4.261 CV     1
 OR {  264}
   (( segid "    " and resid 42   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 ASSI {  315}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.500     2.500     1.500 peak   315 spectrum    1 weight  0.10000E+01 volume  0.44853E-03 ppm1      7.326 ppm2      0.966 CV     1
 OR {  315}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  315}
   (( segid "    " and resid 68   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  318}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
      4.600     2.700     1.400 peak   318 spectrum    1 weight  0.10000E+01 volume  0.62086E-03 ppm1      7.976 ppm2      1.402 CV     1
 OR {  318}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  319}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      4.100     2.100     1.900 peak   319 spectrum    1 weight  0.10000E+01 volume  0.58797E-03 ppm1      7.975 ppm2      1.130 CV     1
 OR {  319}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  321}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.500     1.600     1.600 peak   321 spectrum    1 weight  0.10000E+01 volume  0.15636E-02 ppm1      7.973 ppm2      1.682 CV     1
 OR {  321}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 13   and name HB% )
 ASSI {  322}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.100     0.500     0.500 peak   322 spectrum    1 weight  0.10000E+01 volume  0.10916E-01 ppm1      7.973 ppm2      2.029 CV     1
 OR {  322}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 OR {  322}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 OR {  322}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  331}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      4.300     2.300     1.700 peak   331 spectrum    1 weight  0.10000E+01 volume  0.29717E-03 ppm1      7.975 ppm2      4.214 CV     1
 OR {  331}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  334}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.200     3.200     2.800 peak   334 spectrum    1 weight  0.10000E+01 volume  0.88330E-03 ppm1      7.973 ppm2      8.249 CV     1
 OR {  334}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 27   and name HN  ))
 OR {  334}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  341}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.600     1.600     1.600 peak   341 spectrum    1 weight  0.10000E+01 volume  0.37161E-02 ppm1      8.836 ppm2      1.395 CV     1
 OR {  341}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 ASSI {  343}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.900     1.900     1.900 peak   343 spectrum    1 weight  0.10000E+01 volume  0.71046E-03 ppm1      8.836 ppm2      0.787 CV     1
 OR {  343}
   (( segid "    " and resid 7    and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  364}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
      3.800     1.800     1.800 peak   364 spectrum    1 weight  0.10000E+01 volume  0.11383E-02 ppm1      8.457 ppm2      1.058 CV     1
 OR {  364}
   (( segid "    " and resid 34   and name HN  ))
   (  segid "    " and resid 33   and name HD2%)
 ASSI {  385}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
      2.900     1.100     1.100 peak   385 spectrum    1 weight  0.10000E+01 volume  0.32718E-02 ppm1      8.618 ppm2      2.826 CV     1
 OR {  385}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
 ASSI {  386}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
      2.600     0.900     0.900 peak   386 spectrum    1 weight  0.10000E+01 volume  0.41736E-02 ppm1      8.618 ppm2      2.740 CV     1
 OR {  386}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
 ASSI {  392}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      2.700     0.900     0.900 peak   392 spectrum    1 weight  0.10000E+01 volume  0.43456E-02 ppm1      8.619 ppm2      4.519 CV     1
 OR {  392}
   (( segid "    " and resid 63   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  408}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
      4.500     2.500     1.500 peak   408 spectrum    1 weight  0.10000E+01 volume  0.40996E-03 ppm1      7.496 ppm2      0.966 CV     1
 OR {  408}
   (( segid "    " and resid 67   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  424}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.500     1.500     1.500 peak   424 spectrum    1 weight  0.10000E+01 volume  0.98012E-03 ppm1      7.747 ppm2      4.459 CV     1
 OR {  424}
   (( segid "    " and resid 84   and name HN  ))
   (( segid "    " and resid 85   and name HA  ))
 ASSI {  430}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      2.500     0.800     0.800 peak   430 spectrum    1 weight  0.10000E+01 volume  0.46106E-02 ppm1      9.556 ppm2      4.362 CV     1
 OR {  430}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  432}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 35   and name HB2 ))
      2.600     0.800     0.800 peak   432 spectrum    1 weight  0.10000E+01 volume  0.22998E-02 ppm1      9.556 ppm2      3.088 CV     1
 OR {  432}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB1 ))
 ASSI {  433}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      4.800     2.900     1.200 peak   433 spectrum    1 weight  0.10000E+01 volume  0.45807E-03 ppm1      9.556 ppm2      2.999 CV     1
 OR {  433}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 37   and name HB2 ))
 OR {  433}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 69   and name HB1 ))
 ASSI {  440}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      4.100     2.100     1.900 peak   440 spectrum    1 weight  0.10000E+01 volume  0.58332E-03 ppm1      9.556 ppm2      7.719 CV     1
 OR {  440}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  444}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 34   and name HG2 ))
      4.800     2.900     1.200 peak   444 spectrum    1 weight  0.10000E+01 volume  0.46310E-03 ppm1      9.555 ppm2      1.628 CV     1
 OR {  444}
   (( segid "    " and resid 36   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
 ASSI {  449}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
      4.100     2.100     1.900 peak   449 spectrum    1 weight  0.10000E+01 volume  0.88645E-03 ppm1      8.876 ppm2      0.966 CV     1
 OR {  449}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 OR {  449}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  451}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      3.400     1.400     1.400 peak   451 spectrum    1 weight  0.10000E+01 volume  0.10331E-02 ppm1      8.877 ppm2      0.786 CV     1
 OR {  451}
   (( segid "    " and resid 79   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  460}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
      2.600     0.900     0.900 peak   460 spectrum    1 weight  0.10000E+01 volume  0.28752E-02 ppm1      8.998 ppm2      1.614 CV     1
 OR {  460}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
 ASSI {  461}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 31   and name HB2 ))
      4.300     2.300     1.700 peak   461 spectrum    1 weight  0.10000E+01 volume  0.11024E-02 ppm1      8.997 ppm2      1.043 CV     1
 OR {  461}
   (( segid "    " and resid 72   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  464}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
      3.600     1.600     1.600 peak   464 spectrum    1 weight  0.10000E+01 volume  0.97971E-03 ppm1      8.693 ppm2      1.683 CV     1
 OR {  464}
   (( segid "    " and resid 76   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
 ASSI {  472}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.300     2.300     1.700 peak   472 spectrum    1 weight  0.10000E+01 volume  0.93396E-03 ppm1      8.692 ppm2      0.872 CV     1
 OR {  472}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  473}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.300     2.400     1.700 peak   473 spectrum    1 weight  0.10000E+01 volume  0.67674E-03 ppm1      8.693 ppm2      0.788 CV     1
 OR {  473}
   (( segid "    " and resid 76   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI {  484}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.500     1.600     1.600 peak   484 spectrum    1 weight  0.10000E+01 volume  0.67235E-03 ppm1      8.999 ppm2      4.229 CV     1
 OR {  484}
   (( segid "    " and resid 72   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  497}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      2.900     1.000     1.000 peak   497 spectrum    1 weight  0.10000E+01 volume  0.17076E-02 ppm1      7.556 ppm2      1.847 CV     1
 OR {  497}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI {  498}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.200     1.300     1.300 peak   498 spectrum    1 weight  0.10000E+01 volume  0.16183E-02 ppm1      7.555 ppm2      4.363 CV     1
 OR {  498}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  500}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
      2.300     0.700     0.700 peak   500 spectrum    1 weight  0.10000E+01 volume  0.50438E-02 ppm1      7.555 ppm2      7.715 CV     1
 OR {  500}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
 ASSI {  501}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 35   and name HN  ))
      4.100     2.100     1.900 peak   501 spectrum    1 weight  0.10000E+01 volume  0.52383E-03 ppm1      7.554 ppm2      8.458 CV     1
 OR {  501}
   (( segid "    " and resid 37   and name HN  ))
   (( segid "    " and resid 34   and name HN  ))
 ASSI {  507}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
      2.800     1.000     1.000 peak   507 spectrum    1 weight  0.10000E+01 volume  0.20907E-02 ppm1      8.322 ppm2      2.338 CV     1
 OR {  507}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
 OR {  507}
   (( segid "    " and resid 48   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  517}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HB1 ))
      3.100     1.200     1.200 peak   517 spectrum    1 weight  0.10000E+01 volume  0.46618E-02 ppm1      7.507 ppm2      1.628 CV     1
 OR {  517}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 72   and name HB2 ))
 ASSI {  524}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
      2.800     0.900     0.900 peak   524 spectrum    1 weight  0.10000E+01 volume  0.23330E-02 ppm1      7.508 ppm2      3.303 CV     1
 OR {  524}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
 ASSI {  526}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.200     1.300     1.300 peak   526 spectrum    1 weight  0.10000E+01 volume  0.22003E-02 ppm1      7.403 ppm2      4.521 CV     1
 OR {  526}
   (( segid "    " and resid 64   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  528}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HN  ))
      2.100     0.500     0.500 peak   528 spectrum    1 weight  0.10000E+01 volume  0.72053E-02 ppm1      7.508 ppm2      8.041 CV     1
 OR {  528}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HN  ))
 ASSI {  533}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
      4.500     2.600     1.500 peak   533 spectrum    1 weight  0.10000E+01 volume  0.41698E-03 ppm1      7.506 ppm2      3.018 CV     1
 OR {  533}
   (( segid "    " and resid 31   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
 ASSI {  537}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   537 spectrum    1 weight  0.10000E+01 volume  0.32889E-02 ppm1      8.397 ppm2      4.395 CV     1
 OR {  537}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  541}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HG  ))
      2.800     0.900     0.900 peak   541 spectrum    1 weight  0.10000E+01 volume  0.40050E-02 ppm1      8.396 ppm2      1.882 CV     1
 OR {  541}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  544}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.600     1.600     1.600 peak   544 spectrum    1 weight  0.10000E+01 volume  0.15650E-02 ppm1      8.397 ppm2      1.122 CV     1
 OR {  544}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 ASSI {  545}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      3.900     1.900     1.900 peak   545 spectrum    1 weight  0.10000E+01 volume  0.11298E-02 ppm1      8.397 ppm2      1.035 CV     1
 OR {  545}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 OR {  545}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
 ASSI {  552}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
      3.100     1.200     1.200 peak   552 spectrum    1 weight  0.10000E+01 volume  0.19242E-02 ppm1      8.961 ppm2      4.259 CV     1
 OR {  552}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
 ASSI {  553}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
      2.600     0.800     0.800 peak   553 spectrum    1 weight  0.10000E+01 volume  0.35345E-02 ppm1      8.962 ppm2      4.091 CV     1
 OR {  553}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR {  553}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 ASSI {  557}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 51   and name HN  ))
      3.700     1.700     1.700 peak   557 spectrum    1 weight  0.10000E+01 volume  0.89461E-03 ppm1      8.961 ppm2      8.120 CV     1
 OR {  557}
   (( segid "    " and resid 53   and name HN  ))
   (( segid "    " and resid 56   and name HN  ))
 ASSI {  560}
   (( segid "    " and resid 46   and name HN  ))
   (( segid "    " and resid 45   and name HB1 ))
      2.000     0.500     0.500 peak   560 spectrum    1 weight  0.10000E+01 volume  0.11885E-01 ppm1      8.226 ppm2      1.643 CV     1
 OR {  560}
   (( segid "    " and resid 50   and name HN  ))
   (  segid "    " and resid 50   and name HB% )
 ASSI {  561}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HA  ))
      2.800     1.000     1.000 peak   561 spectrum    1 weight  0.10000E+01 volume  0.32087E-02 ppm1      8.114 ppm2      4.240 CV     1
 OR {  561}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  562}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.700     0.900     0.900 peak   562 spectrum    1 weight  0.10000E+01 volume  0.34309E-02 ppm1      7.706 ppm2      4.399 CV     1
 OR {  562}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  565}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.800     1.800     1.800 peak   565 spectrum    1 weight  0.10000E+01 volume  0.90814E-03 ppm1      7.706 ppm2      1.913 CV     1
 OR {  565}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HG  ))
 ASSI {  567}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
      3.300     1.400     1.400 peak   567 spectrum    1 weight  0.10000E+01 volume  0.11501E-02 ppm1      8.116 ppm2      3.954 CV     1
 OR {  567}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
 ASSI {  569}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
      2.600     0.900     0.900 peak   569 spectrum    1 weight  0.10000E+01 volume  0.35525E-02 ppm1      8.114 ppm2      2.024 CV     1
 OR {  569}
   (( segid "    " and resid 51   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
 ASSI {  577}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
      3.800     1.800     1.800 peak   577 spectrum    1 weight  0.10000E+01 volume  0.12608E-02 ppm1      8.835 ppm2      1.392 CV     1
 OR {  577}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  578}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      3.900     1.900     1.900 peak   578 spectrum    1 weight  0.10000E+01 volume  0.14408E-02 ppm1      8.835 ppm2      1.139 CV     1
 OR {  578}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
 OR {  578}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  579}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
      4.400     2.400     1.600 peak   579 spectrum    1 weight  0.10000E+01 volume  0.71759E-03 ppm1      8.834 ppm2      1.041 CV     1
 OR {  579}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 52   and name HD2%)
 ASSI {  586}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      4.600     2.700     1.400 peak   586 spectrum    1 weight  0.10000E+01 volume  0.41566E-03 ppm1      8.836 ppm2      2.704 CV     1
 OR {  586}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 OR {  586}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 ASSI {  587}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 14   and name HD2%)
      4.500     2.600     1.500 peak   587 spectrum    1 weight  0.10000E+01 volume  0.43080E-03 ppm1      8.833 ppm2      0.883 CV     1
 OR {  587}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 OR {  587}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI {  588}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.000     2.000     2.000 peak   588 spectrum    1 weight  0.10000E+01 volume  0.43337E-03 ppm1      8.835 ppm2      0.789 CV     1
 OR {  588}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 26   and name HD2%)
 OR {  588}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 31   and name HD2%)
 ASSI {  589}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      2.800     1.000     1.000 peak   589 spectrum    1 weight  0.10000E+01 volume  0.27574E-02 ppm1      7.711 ppm2      4.227 CV     1
 OR {  589}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  595}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB  ))
      2.100     0.600     0.600 peak   595 spectrum    1 weight  0.10000E+01 volume  0.74005E-02 ppm1      8.217 ppm2      2.260 CV     1
 OR {  595}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  598}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 82   and name HB1 ))
      3.000     1.100     1.100 peak   598 spectrum    1 weight  0.10000E+01 volume  0.57888E-02 ppm1      8.273 ppm2      2.019 CV     1
 OR {  598}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB1 ))
 ASSI {  599}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 78   and name HB  ))
      2.100     0.500     0.500 peak   599 spectrum    1 weight  0.10000E+01 volume  0.90829E-02 ppm1      8.272 ppm2      1.927 CV     1
 OR {  599}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 77   and name HB2 ))
 ASSI {  600}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 81   and name HB% )
      2.800     1.000     1.000 peak   600 spectrum    1 weight  0.10000E+01 volume  0.36041E-02 ppm1      8.273 ppm2      1.622 CV     1
 OR {  600}
   (( segid "    " and resid 82   and name HN  ))
   (  segid "    " and resid 83   and name HB% )
 ASSI {  611}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.100     1.200     1.200 peak   611 spectrum    1 weight  0.10000E+01 volume  0.16618E-02 ppm1      8.218 ppm2      4.395 CV     1
 OR {  611}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  613}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 81   and name HA  ))
      3.200     1.300     1.300 peak   613 spectrum    1 weight  0.10000E+01 volume  0.15672E-02 ppm1      8.274 ppm2      4.462 CV     1
 OR {  613}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 76   and name HA  ))
 ASSI {  617}
   (( segid "    " and resid 82   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
      3.200     1.300     1.300 peak   617 spectrum    1 weight  0.10000E+01 volume  0.13502E-02 ppm1      8.275 ppm2      4.904 CV     1
 OR {  617}
   (( segid "    " and resid 78   and name HN  ))
   (( segid "    " and resid 79   and name HA  ))
 ASSI {  620}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.700     0.900     0.900 peak   620 spectrum    1 weight  0.10000E+01 volume  0.23371E-02 ppm1      8.217 ppm2      7.817 CV     1
 OR {  620}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI {  625}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.900     1.000     1.000 peak   625 spectrum    1 weight  0.10000E+01 volume  0.26991E-02 ppm1      7.886 ppm2      4.547 CV     1
 OR {  625}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
 ASSI {  627}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.400     0.700     0.700 peak   627 spectrum    1 weight  0.10000E+01 volume  0.52936E-02 ppm1      7.887 ppm2      2.704 CV     1
 OR {  627}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
 OR {  627}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
 ASSI {  632}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
      2.500     0.800     0.800 peak   632 spectrum    1 weight  0.10000E+01 volume  0.48695E-02 ppm1      8.414 ppm2      2.205 CV     1
 OR {  632}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
 ASSI {  634}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 52   and name HG  ))
      2.200     0.600     0.600 peak   634 spectrum    1 weight  0.10000E+01 volume  0.53948E-02 ppm1      8.414 ppm2      2.038 CV     1
 OR {  634}
   (( segid "    " and resid 52   and name HN  ))
   (( segid "    " and resid 51   and name HB2 ))
 ASSI {  641}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.400     1.400     1.400 peak   641 spectrum    1 weight  0.10000E+01 volume  0.97516E-03 ppm1      8.451 ppm2      4.400 CV     1
 OR {  641}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  643}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      2.900     1.100     1.100 peak   643 spectrum    1 weight  0.10000E+01 volume  0.28779E-02 ppm1      8.455 ppm2      8.217 CV     1
 OR {  643}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
 ASSI {  651}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HN  ))
      2.300     0.700     0.700 peak   651 spectrum    1 weight  0.10000E+01 volume  0.48856E-02 ppm1      8.496 ppm2      8.232 CV     1
 OR {  651}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 50   and name HN  ))
 ASSI {  657}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB2 ))
      2.600     0.800     0.800 peak   657 spectrum    1 weight  0.10000E+01 volume  0.44072E-02 ppm1      8.504 ppm2      2.334 CV     1
 OR {  657}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 OR {  657}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
 ASSI {  660}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      3.500     1.500     1.500 peak   660 spectrum    1 weight  0.10000E+01 volume  0.63858E-03 ppm1      8.497 ppm2      1.521 CV     1
 OR {  660}
   (( segid "    " and resid 47   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 OR {  660}
   (( segid "    " and resid 47   and name HN  ))
   (  segid "    " and resid 49   and name HB% )
 ASSI {  665}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HG2 ))
      4.500     2.500     1.500 peak   665 spectrum    1 weight  0.10000E+01 volume  0.71129E-03 ppm1      8.093 ppm2      0.992 CV     1
 OR {  665}
   (( segid "    " and resid 55   and name HN  ))
   (  segid "    " and resid 58   and name HG2%)
 ASSI {  666}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 55   and name HA  ))
      2.600     0.800     0.800 peak   666 spectrum    1 weight  0.10000E+01 volume  0.57614E-02 ppm1      8.090 ppm2      4.096 CV     1
 OR {  666}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB2 ))
 OR {  666}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 54   and name HB1 ))
 OR {  666}
   (( segid "    " and resid 55   and name HN  ))
   (( segid "    " and resid 53   and name HA  ))
 ASSI {  673}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.700     1.700     1.700 peak   673 spectrum    1 weight  0.10000E+01 volume  0.87214E-03 ppm1      7.887 ppm2      8.835 CV     1
 OR {  673}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
 ASSI {  675}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HB1 ))
      2.500     0.800     0.800 peak   675 spectrum    1 weight  0.10000E+01 volume  0.45666E-02 ppm1      7.712 ppm2      2.424 CV     1
 OR {  675}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 68   and name HB  ))
 ASSI {  676}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 73   and name HB2 ))
      3.200     1.300     1.300 peak   676 spectrum    1 weight  0.10000E+01 volume  0.12771E-02 ppm1      7.713 ppm2      2.269 CV     1
 OR {  676}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 71   and name HB1 ))
 ASSI {  677}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      3.700     1.700     1.700 peak   677 spectrum    1 weight  0.10000E+01 volume  0.69554E-03 ppm1      7.887 ppm2      1.402 CV     1
 OR {  677}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 7    and name HG2%)
 OR {  677}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HG1 ))
 ASSI {  678}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 68   and name HG1%)
      3.200     1.300     1.300 peak   678 spectrum    1 weight  0.10000E+01 volume  0.21599E-02 ppm1      7.712 ppm2      1.131 CV     1
 OR {  678}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
 ASSI {  680}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
      4.200     2.200     1.800 peak   680 spectrum    1 weight  0.10000E+01 volume  0.11541E-02 ppm1      7.712 ppm2      0.969 CV     1
 OR {  680}
   (( segid "    " and resid 74   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
 OR {  680}
   (( segid "    " and resid 74   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  695}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD2%)
      3.900     1.900     1.900 peak   695 spectrum    1 weight  0.10000E+01 volume  0.83832E-03 ppm1      8.729 ppm2      1.045 CV     1
 OR {  695}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 OR {  695}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 74   and name HD1%)
 ASSI {  696}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HG  ))
      4.600     2.600     1.400 peak   696 spectrum    1 weight  0.10000E+01 volume  0.64575E-03 ppm1      8.728 ppm2      0.965 CV     1
 OR {  696}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  696}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
 ASSI {  697}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 74   and name HB2 ))
      3.500     1.500     1.500 peak   697 spectrum    1 weight  0.10000E+01 volume  0.25934E-02 ppm1      8.728 ppm2      1.692 CV     1
 OR {  697}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  702}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 71   and name HA  ))
      3.900     1.900     1.900 peak   702 spectrum    1 weight  0.10000E+01 volume  0.57563E-03 ppm1      8.727 ppm2      4.228 CV     1
 OR {  702}
   (( segid "    " and resid 75   and name HN  ))
   (( segid "    " and resid 73   and name HA  ))
 ASSI {  709}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
      2.100     0.600     0.600 peak   709 spectrum    1 weight  0.10000E+01 volume  0.84617E-02 ppm1      8.460 ppm2      1.512 CV     1
 OR {  709}
   (( segid "    " and resid 45   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
 ASSI {  713}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 40   and name HB2 ))
      5.600     3.900     0.400 peak   713 spectrum    1 weight  0.10000E+01 volume  0.30688E-03 ppm1      8.457 ppm2      2.777 CV     1
 OR {  713}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HG2 ))
 ASSI {  715}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
      3.100     1.200     1.200 peak   715 spectrum    1 weight  0.10000E+01 volume  0.23113E-02 ppm1      8.459 ppm2      4.269 CV     1
 OR {  715}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
 OR {  715}
   (( segid "    " and resid 45   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
 ASSI {  727}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HA2 ))
      3.100     1.200     1.200 peak   727 spectrum    1 weight  0.10000E+01 volume  0.18275E-02 ppm1      8.065 ppm2      3.866 CV     1
 OR {  727}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
 ASSI {  728}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 40   and name HB1 ))
      3.100     1.200     1.200 peak   728 spectrum    1 weight  0.10000E+01 volume  0.39615E-02 ppm1      8.063 ppm2      3.026 CV     1
 OR {  728}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  733}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.500     0.800     0.800 peak   733 spectrum    1 weight  0.10000E+01 volume  0.48305E-02 ppm1      8.066 ppm2      1.567 CV     1
 OR {  733}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
 ASSI {  738}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
      2.700     2.700     3.300 peak   738 spectrum    1 weight  0.10000E+01 volume  0.12289E-02 ppm1      7.955 ppm2      0.978 CV     1
 OR {  738}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 82   and name HD2%)
 OR {  738}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
 ASSI {  739}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
      2.800     2.800     3.200 peak   739 spectrum    1 weight  0.10000E+01 volume  0.10271E-02 ppm1      7.955 ppm2      0.880 CV     1
 OR {  739}
   (( segid "    " and resid 83   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI {  742}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 39   and name HN  ))
      2.600     0.800     0.800 peak   742 spectrum    1 weight  0.10000E+01 volume  0.36332E-02 ppm1      8.060 ppm2      7.716 CV     1
 OR {  742}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 38   and name HN  ))
 ASSI {  744}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 36   and name HA  ))
      3.100     1.200     1.200 peak   744 spectrum    1 weight  0.10000E+01 volume  0.18621E-02 ppm1      8.061 ppm2      4.362 CV     1
 OR {  744}
   (( segid "    " and resid 40   and name HN  ))
   (( segid "    " and resid 35   and name HA  ))
 ASSI {  756}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      3.100     1.200     1.200 peak   756 spectrum    1 weight  0.10000E+01 volume  0.19144E-02 ppm1      8.038 ppm2      3.292 CV     1
 OR {  756}
   (( segid "    " and resid 30   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  773}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 32   and name HB1 ))
      4.000     2.000     2.000 peak   773 spectrum    1 weight  0.10000E+01 volume  0.52042E-03 ppm1      7.210 ppm2      3.025 CV     1
 OR {  773}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB2 ))
 ASSI {  775}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 71   and name HG1 ))
      4.800     2.900     1.200 peak   775 spectrum    1 weight  0.10000E+01 volume  0.38351E-03 ppm1      7.210 ppm2      2.181 CV     1
 OR {  775}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 34   and name HB1 ))
 ASSI {  776}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 30   and name HB1 ))
      4.200     2.200     1.800 peak   776 spectrum    1 weight  0.10000E+01 volume  0.56814E-03 ppm1      7.209 ppm2      3.299 CV     1
 OR {  776}
   (( segid "    " and resid 33   and name HN  ))
   (( segid "    " and resid 31   and name HA  ))
 ASSI {  787}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 63   and name HA  ))
      3.900     1.900     1.900 peak   787 spectrum    1 weight  0.10000E+01 volume  0.44188E-03 ppm1      8.221 ppm2      4.523 CV     1
 OR {  787}
   (( segid "    " and resid 65   and name HN  ))
   (( segid "    " and resid 61   and name HA  ))
 ASSI {  809}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB1 ))
      2.900     1.000     1.000 peak   809 spectrum    1 weight  0.10000E+01 volume  0.27110E-02 ppm1      8.821 ppm2      2.825 CV     1
 OR {  809}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB1 ))
 ASSI {  810}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 62   and name HB2 ))
      3.000     1.100     1.100 peak   810 spectrum    1 weight  0.10000E+01 volume  0.39890E-02 ppm1      8.821 ppm2      2.740 CV     1
 OR {  810}
   (( segid "    " and resid 62   and name HN  ))
   (( segid "    " and resid 63   and name HB2 ))
 ASSI {  815}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 34   and name HB2 ))
      4.100     2.100     1.900 peak   815 spectrum    1 weight  0.10000E+01 volume  0.88278E-03 ppm1      8.459 ppm2      1.845 CV     1
 OR {  815}
   (( segid "    " and resid 35   and name HN  ))
   (( segid "    " and resid 38   and name HG11))
 ASSI {  816}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 70   and name HG2%)
      4.100     2.100     1.900 peak   816 spectrum    1 weight  0.10000E+01 volume  0.86760E-03 ppm1      8.456 ppm2      1.070 CV     1
 OR {  816}
   (( segid "    " and resid 35   and name HN  ))
   (  segid "    " and resid 38   and name HG2%)
 ASSI {  820}
   (( segid "    " and resid 44   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.300     0.700     0.700 peak   820 spectrum    1 weight  0.10000E+01 volume  0.90633E-02 ppm1      8.158 ppm2      1.518 CV     1
 OR {  820}
   (( segid "    " and resid 44   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  827}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.600     1.700     1.700 peak   827 spectrum    1 weight  0.10000E+01 volume  0.12649E-02 ppm1      7.830 ppm2      4.049 CV     1
 OR {  827}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA1 ))
 OR {  827}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HA2 ))
 ASSI {  832}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 64   and name HG2%)
      5.000     3.100     1.000 peak   832 spectrum    1 weight  0.10000E+01 volume  0.41750E-03 ppm1      8.821 ppm2      1.025 CV     1
 OR {  832}
   (( segid "    " and resid 62   and name HN  ))
   (  segid "    " and resid 60   and name HG2%)
 ASSI {  849}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 15   and name HG2%)
      5.200     3.400     0.800 peak   849 spectrum    1 weight  0.10000E+01 volume  0.21084E-03 ppm1      7.831 ppm2      1.127 CV     1
 OR {  849}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI {  850}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 15   and name HG1%)
      3.700     1.700     1.700 peak   850 spectrum    1 weight  0.10000E+01 volume  0.24841E-03 ppm1      7.832 ppm2      1.033 CV     1
 OR {  850}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 10   and name HD1%)
 ASSI {  857}
   (( segid "    " and resid 41   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      2.700     0.900     0.900 peak   857 spectrum    1 weight  0.10000E+01 volume  0.35312E-02 ppm1      7.975 ppm2      1.519 CV     1
 OR {  857}
   (( segid "    " and resid 41   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  873}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HA  ))
      3.100     1.200     1.200 peak   873 spectrum    1 weight  0.10000E+01 volume  0.17799E-02 ppm1      8.755 ppm2      4.252 CV     1
 OR {  873}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HA  ))
 OR {  873}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 50   and name HA  ))
 ASSI {  874}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 49   and name HA  ))
      2.600     0.900     0.900 peak   874 spectrum    1 weight  0.10000E+01 volume  0.38009E-02 ppm1      8.755 ppm2      3.950 CV     1
 OR {  874}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 48   and name HA  ))
 ASSI {  880}
   (( segid "    " and resid 49   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
      3.400     1.500     1.500 peak   880 spectrum    1 weight  0.10000E+01 volume  0.15577E-02 ppm1      8.755 ppm2      1.126 CV     1
 OR {  880}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 60   and name HG12))
 ASSI {  882}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 46   and name HB1 ))
      4.200     2.200     1.800 peak   882 spectrum    1 weight  0.10000E+01 volume  0.33632E-03 ppm1      8.755 ppm2      2.341 CV     1
 OR {  882}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 47   and name HB1 ))
 OR {  882}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HB2 ))
 OR {  882}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 53   and name HG2 ))
 ASSI {  883}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 51   and name HB1 ))
      4.400     2.400     1.600 peak   883 spectrum    1 weight  0.10000E+01 volume  0.45798E-03 ppm1      8.754 ppm2      2.201 CV     1
 OR {  883}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 52   and name HB1 ))
 OR {  883}
   (( segid "    " and resid 49   and name HN  ))
   (( segid "    " and resid 64   and name HB  ))
 ASSI {  892}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 43   and name HA  ))
      2.500     0.800     0.800 peak   892 spectrum    1 weight  0.10000E+01 volume  0.50041E-02 ppm1      7.787 ppm2      4.266 CV     1
 OR {  892}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name HA  ))
 ASSI {  900}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      3.700     1.700     1.700 peak   900 spectrum    1 weight  0.10000E+01 volume  0.63403E-03 ppm1      7.585 ppm2      0.863 CV     1
 OR {  900}
   (( segid "    " and resid 81   and name HN  ))
   (  segid "    " and resid 60   and name HD1%)
 ASSI {  902}
   (( segid "    " and resid 43   and name HN  ))
   (  segid "    " and resid 44   and name HB% )
      4.300     2.300     1.700 peak   902 spectrum    1 weight  0.10000E+01 volume  0.87999E-03 ppm1      7.786 ppm2      1.513 CV     1
 OR {  902}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HB2 ))
 ASSI {  905}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 41   and name HB2 ))
      4.400     2.400     1.600 peak   905 spectrum    1 weight  0.10000E+01 volume  0.52213E-03 ppm1      7.789 ppm2      2.844 CV     1
 OR {  905}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 46   and name HG1 ))
 ASSI {  910}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 42   and name H28B))
      4.100     2.100     1.900 peak   910 spectrum    1 weight  0.10000E+01 volume  0.35014E-03 ppm1      7.787 ppm2      3.901 CV     1
 OR {  910}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 45   and name HA  ))
 OR {  910}
   (( segid "    " and resid 43   and name HN  ))
   (( segid "    " and resid 66   and name HA2 ))
 ASSI {  922}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG  ))
      4.500     2.500     1.500 peak   922 spectrum    1 weight  0.10000E+01 volume  0.75874E-03 ppm1      9.428 ppm2      1.703 CV     1
 OR {  922}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 75   and name HG  ))
 ASSI {  926}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD2%)
      3.400     1.500     1.500 peak   926 spectrum    1 weight  0.10000E+01 volume  0.19291E-02 ppm1      9.428 ppm2      0.974 CV     1
 OR {  926}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 82   and name HD1%)
 ASSI {  927}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
      4.000     2.000     2.000 peak   927 spectrum    1 weight  0.10000E+01 volume  0.16541E-02 ppm1      9.428 ppm2      0.878 CV     1
 OR {  927}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HD1%)
 OR {  927}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
 ASSI {  931}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.000     0.500     0.500 peak   931 spectrum    1 weight  0.10000E+01 volume  0.16652E-01 ppm1      8.146 ppm2      4.383 CV     1
 OR {  931}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  996}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD1%)
      3.700     1.700     1.700 peak   996 spectrum    1 weight  0.10000E+01 volume  0.17323E-02 ppm1      8.003 ppm2      0.961 CV     1
 OR {  996}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 77   and name HD2%)
 OR {  996}
   (( segid "    " and resid 77   and name HN  ))
   (  segid "    " and resid 64   and name HG1%)
 ASSI { 1008}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 10   and name HD2%)
      4.400     2.500     1.600 peak  1008 spectrum    1 weight  0.10000E+01 volume  0.10167E-02 ppm1      8.066 ppm2      1.128 CV     1
 OR { 1008}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 48   and name HG2%)
 ASSI { 1010}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD2%)
      4.500     2.500     1.500 peak  1010 spectrum    1 weight  0.10000E+01 volume  0.87653E-03 ppm1      8.727 ppm2      0.875 CV     1
 OR { 1010}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
 ASSI { 1011}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 75   and name HD1%)
      4.200     2.200     1.800 peak  1011 spectrum    1 weight  0.10000E+01 volume  0.98766E-03 ppm1      8.727 ppm2      0.790 CV     1
 OR { 1011}
   (( segid "    " and resid 75   and name HN  ))
   (  segid "    " and resid 78   and name HD1%)
 ASSI { 1012}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 52   and name HD1%)
      3.900     1.900     1.900 peak  1012 spectrum    1 weight  0.10000E+01 volume  0.15952E-02 ppm1      8.414 ppm2      0.862 CV     1
 OR { 1012}
   (( segid "    " and resid 52   and name HN  ))
   (  segid "    " and resid 78   and name HG2%)
 ASSI { 1014}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 30   and name HZ  ))
      3.200     1.300     1.300 peak  1014 spectrum    1 weight  0.10000E+01 volume  0.19201E-02 ppm1      8.834 ppm2      7.333 CV     1
 OR { 1014}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HE  ))
assign (resid      5 and name C  ) (resid      6 and name N )
       (resid      6 and name CA ) (resid      6 and name C)     9.3      1.2

assign (resid      6 and name C  ) (resid      7 and name N )
       (resid      7 and name CA ) (resid      7 and name C)     2.9      0.5

assign (resid      8 and name C  ) (resid      9 and name N )
       (resid      9 and name CA ) (resid      9 and name C)     5.0      0.8

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

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

assign (resid     13 and name C  ) (resid     14 and name N )
       (resid     14 and name CA ) (resid     14 and name C)     5.0      0.8

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

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

assign (resid     29 and name C  ) (resid     30 and name N )
       (resid     30 and name CA ) (resid     30 and name C)     6.9      1.0

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

assign (resid     31 and name C  ) (resid     32 and name N )
       (resid     32 and name CA ) (resid     32 and name C)     8.8      1.2

assign (resid     32 and name C  ) (resid     33 and name N )
       (resid     33 and name CA ) (resid     33 and name C)     7.0      1.0

assign (resid     33 and name C  ) (resid     34 and name N )
       (resid     34 and name CA ) (resid     34 and name C)     6.3      1.0

assign (resid     34 and name C  ) (resid     35 and name N )
       (resid     35 and name CA ) (resid     35 and name C)     2.2      0.4

assign (resid     35 and name C  ) (resid     36 and name N )
       (resid     36 and name CA ) (resid     36 and name C)     3.2      0.5

assign (resid     36 and name C  ) (resid     37 and name N )
       (resid     37 and name CA ) (resid     37 and name C)     7.5      1.1

assign (resid     37 and name C  ) (resid     38 and name N )
       (resid     38 and name CA ) (resid     38 and name C)     8.9      1.2

assign (resid     41 and name C  ) (resid     42 and name N )
       (resid     42 and name CA ) (resid     42 and name C)     2.6      0.4

assign (resid     42 and name C  ) (resid     43 and name N )
       (resid     43 and name CA ) (resid     43 and name C)     5.1      0.8

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

assign (resid     44 and name C  ) (resid     45 and name N )
       (resid     45 and name CA ) (resid     45 and name C)     4.7      0.8

assign (resid     47 and name C  ) (resid     48 and name N )
       (resid     48 and name CA ) (resid     48 and name C)     4.4      0.7

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

assign (resid     50 and name C  ) (resid     51 and name N )
       (resid     51 and name CA ) (resid     51 and name C)     4.6      0.8

assign (resid     51 and name C  ) (resid     52 and name N )
       (resid     52 and name CA ) (resid     52 and name C)     4.7      0.8

assign (resid     52 and name C  ) (resid     53 and name N )
       (resid     53 and name CA ) (resid     53 and name C)     3.7      0.6

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

assign (resid     54 and name C  ) (resid     55 and name N )
       (resid     55 and name CA ) (resid     55 and name C)     4.6      0.7

assign (resid     55 and name C  ) (resid     56 and name N )
       (resid     56 and name CA ) (resid     56 and name C)     8.9      1.2

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

assign (resid     58 and name C  ) (resid     59 and name N )
       (resid     59 and name CA ) (resid     59 and name C)     8.3      1.1

assign (resid     59 and name C  ) (resid     60 and name N )
       (resid     60 and name CA ) (resid     60 and name C)     9.0      1.2

assign (resid     61 and name C  ) (resid     62 and name N )
       (resid     62 and name CA ) (resid     62 and name C)     3.3      0.6

assign (resid     62 and name C  ) (resid     63 and name N )
       (resid     63 and name CA ) (resid     63 and name C)     6.2      1.0

assign (resid     63 and name C  ) (resid     64 and name N )
       (resid     64 and name CA ) (resid     64 and name C)     6.2      1.0

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

assign (resid     66 and name C  ) (resid     67 and name N )
       (resid     67 and name CA ) (resid     67 and name C)     9.0      1.2

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

assign (resid     68 and name C  ) (resid     69 and name N )
       (resid     69 and name CA ) (resid     69 and name C)     8.1      1.1

assign (resid     69 and name C  ) (resid     70 and name N )
       (resid     70 and name CA ) (resid     70 and name C)     8.9      1.2

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

assign (resid     72 and name C  ) (resid     73 and name N )
       (resid     73 and name CA ) (resid     73 and name C)     4.5      0.7

assign (resid     73 and name C  ) (resid     74 and name N )
       (resid     74 and name CA ) (resid     74 and name C)     5.6      0.9

assign (resid     74 and name C  ) (resid     75 and name N )
       (resid     75 and name CA ) (resid     75 and name C)     3.4      0.6

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

assign (resid     80 and name C  ) (resid     81 and name N )
       (resid     81 and name CA ) (resid     81 and name C)     5.6      0.9

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


! phi and psi dihedral restraint file generated by Talos2Aria.py
!
! TALOS filename:
! /home/chsee/structure_calcs/acetyl/pred.tab
!
! settings: min phiError=20.0, min psiError=20.0, errorFactor=2.0
!

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

! Talos derived phi restraint:
assign (resid  35 and name C)
       (resid  36 and name N)
       (resid  36 and name CA)
       (resid  36 and name C)
       1.0 -66  20 2

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

! Talos derived phi restraint:
assign (resid  64 and name C)
       (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       1.0 -70  20 2

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

! Talos derived phi restraint:
assign (resid  71 and name C)
       (resid  72 and name N)
       (resid  72 and name CA)
       (resid  72 and name C)
       1.0 -59  20 2

! Talos derived phi restraint:
assign (resid  72 and name C)
       (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       1.0 -66  20 2

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

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

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

! Talos derived phi restraint:
assign (resid  76 and name C)
       (resid  77 and name N)
       (resid  77 and name CA)
       (resid  77 and name C)
       1.0 -67  20 2

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

! Talos derived phi restraint:
assign (resid  78 and name C)
       (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       1.0 -60  20 2

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

! Talos derived phi restraint:
assign (resid  80 and name C)
       (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       1.0 -64  20 2

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

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

! Talos derived psi restraint:
assign (resid  51 and name N)
       (resid  51 and name CA)
       (resid  51 and name C)
       (resid  52 and name N)
       1.0 -43  20 2

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

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

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

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

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

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

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

! Talos derived psi restraint:
assign (resid  61 and name N)
       (resid  61 and name CA)
       (resid  61 and name C)
       (resid  62 and name N)
       1.0 137  20 2

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

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

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

! Talos derived psi restraint:
assign (resid  65 and name N)
       (resid  65 and name CA)
       (resid  65 and name C)
       (resid  66 and name N)
       1.0 -21  28 2

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

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

! Talos derived psi restraint:
assign (resid  73 and name N)
       (resid  73 and name CA)
       (resid  73 and name C)
       (resid  74 and name N)
       1.0 -38  20 2

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

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

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

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

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

! Talos derived psi restraint:
assign (resid  79 and name N)
       (resid  79 and name CA)
       (resid  79 and name C)
       (resid  80 and name N)
       1.0 -34  20 2

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

! Talos derived psi restraint:
assign (resid  81 and name N)
       (resid  81 and name CA)
       (resid  81 and name C)
       (resid  82 and name N)
       1.0 -43  20 2

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

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


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   MET   1           H1       MET   1  13.030  -4.386   7.381
    2    H2   MET   1           H2       MET   1  13.782  -2.907   7.655
    3    H3   MET   1           H3       MET   1  14.328  -4.275   8.485
    4    HA   MET   1           HA       MET   1  15.836  -3.762   6.685
    5    HB2  MET   1           HB2      MET   1  14.033  -6.096   5.972
    6    HB3  MET   1           HB3      MET   1  15.634  -5.823   5.312
    7    HG2  MET   1           HG2      MET   1  15.001  -6.341   8.204
    8    HG3  MET   1           HG3      MET   1  15.577  -7.544   7.054
    9    HE1  MET   1           HE1      MET   1  17.551  -8.176   8.691
   10    HE2  MET   1           HE2      MET   1  16.963  -6.982   9.846
   11    HE3  MET   1           HE3      MET   1  18.667  -7.000   9.386
   12    H    ALA   2           H        ALA   2  16.095  -3.635   4.322
   13    HA   ALA   2           HA       ALA   2  13.831  -2.232   3.087
   14    HB1  ALA   2           HB1      ALA   2  15.482  -1.401   1.492
   15    HB2  ALA   2           HB2      ALA   2  16.737  -2.376   2.260
   16    HB3  ALA   2           HB3      ALA   2  15.979  -1.049   3.149
   17    H    THR   3           H        THR   3  13.985  -5.100   3.388
   18    HA   THR   3           HA       THR   3  14.624  -6.390   0.931
   19    HB   THR   3           HB       THR   3  12.727  -7.272   3.121
   20    HG1  THR   3           HG1      THR   3  15.445  -6.886   3.147
   21   HG21  THR   3          HG21      THR   3  13.391  -9.528   2.412
   22   HG22  THR   3          HG22      THR   3  14.419  -8.834   1.155
   23   HG23  THR   3          HG23      THR   3  12.669  -8.633   1.075
   24    H    LEU   4           H        LEU   4  13.463  -6.183  -0.863
   25    HA   LEU   4           HA       LEU   4  11.216  -4.774  -1.407
   26    HB2  LEU   4           HB2      LEU   4  11.951  -7.394  -2.717
   27    HB3  LEU   4           HB3      LEU   4  10.864  -6.198  -3.388
   28    HG   LEU   4           HG       LEU   4  13.826  -5.836  -2.918
   29   HD11  LEU   4          HD11      LEU   4  12.246  -6.157  -5.459
   30   HD12  LEU   4          HD12      LEU   4  13.349  -7.345  -4.755
   31   HD13  LEU   4          HD13      LEU   4  13.971  -5.807  -5.354
   32   HD21  LEU   4          HD21      LEU   4  12.608  -3.736  -2.643
   33   HD22  LEU   4          HD22      LEU   4  11.809  -3.987  -4.192
   34   HD23  LEU   4          HD23      LEU   4  13.552  -3.725  -4.132
   35    H    LEU   5           H        LEU   5   9.044  -5.075  -1.486
   36    HA   LEU   5           HA       LEU   5   8.102  -6.932   0.531
   37    HB2  LEU   5           HB2      LEU   5   6.690  -4.628  -0.782
   38    HB3  LEU   5           HB3      LEU   5   6.076  -5.595   0.538
   39    HG   LEU   5           HG       LEU   5   8.330  -3.623   0.587
   40   HD11  LEU   5          HD11      LEU   5   6.949  -2.565   2.296
   41   HD12  LEU   5          HD12      LEU   5   5.722  -3.811   2.066
   42   HD13  LEU   5          HD13      LEU   5   6.109  -2.698   0.752
   43   HD21  LEU   5          HD21      LEU   5   7.496  -5.551   2.755
   44   HD22  LEU   5          HD22      LEU   5   8.640  -4.223   2.946
   45   HD23  LEU   5          HD23      LEU   5   9.022  -5.574   1.877
   46    H    THR   6           H        THR   6   6.255  -8.100   0.244
   47    HA   THR   6           HA       THR   6   5.824  -8.928  -2.512
   48    HB   THR   6           HB       THR   6   4.954 -11.020  -1.478
   49    HG1  THR   6           HG1      THR   6   5.863  -9.764   0.955
   50   HG21  THR   6          HG21      THR   6   7.769 -10.261  -0.659
   51   HG22  THR   6          HG22      THR   6   7.290 -10.906  -2.228
   52   HG23  THR   6          HG23      THR   6   7.147 -11.907  -0.782
   53    H    THR   7           H        THR   7   3.509 -10.038  -2.566
   54    HA   THR   7           HA       THR   7   1.490  -8.183  -2.502
   55    HB   THR   7           HB       THR   7   1.333 -11.194  -2.224
   56    HG1  THR   7           HG1      THR   7   1.070 -10.538  -4.743
   57   HG21  THR   7          HG21      THR   7  -0.836 -10.039  -1.933
   58   HG22  THR   7          HG22      THR   7  -0.793 -10.944  -3.444
   59   HG23  THR   7          HG23      THR   7  -0.579  -9.192  -3.458
   60    H    ASP   8           H        ASP   8   2.337 -10.690  -0.110
   61    HA   ASP   8           HA       ASP   8   0.219 -10.142   1.658
   62    HB2  ASP   8           HB2      ASP   8   1.517 -12.262   1.666
   63    HB3  ASP   8           HB3      ASP   8   2.870 -11.389   2.381
   64    H    ASP   9           H        ASP   9   3.437  -8.735   1.427
   65    HA   ASP   9           HA       ASP   9   3.418  -7.428   3.969
   66    HB2  ASP   9           HB2      ASP   9   4.804  -6.604   1.409
   67    HB3  ASP   9           HB3      ASP   9   5.029  -5.762   2.927
   68    H    LEU  10           H        LEU  10   2.405  -6.496   0.785
   69    HA   LEU  10           HA       LEU  10   1.493  -3.904   1.380
   70    HB2  LEU  10           HB2      LEU  10   1.947  -4.742  -0.878
   71    HB3  LEU  10           HB3      LEU  10   0.613  -5.863  -0.737
   72    HG   LEU  10           HG       LEU  10  -0.946  -3.953  -0.632
   73   HD11  LEU  10          HD11      LEU  10   1.516  -2.305  -1.202
   74   HD12  LEU  10          HD12      LEU  10   0.565  -2.273   0.284
   75   HD13  LEU  10          HD13      LEU  10  -0.149  -1.723  -1.228
   76   HD21  LEU  10          HD21      LEU  10  -0.501  -5.071  -2.717
   77   HD22  LEU  10          HD22      LEU  10   0.909  -4.049  -2.993
   78   HD23  LEU  10          HD23      LEU  10  -0.710  -3.341  -2.995
   79    H    ARG  11           H        ARG  11  -0.130  -7.028   1.180
   80    HA   ARG  11           HA       ARG  11  -2.737  -6.477   1.838
   81    HB2  ARG  11           HB2      ARG  11  -2.029  -8.685   1.257
   82    HB3  ARG  11           HB3      ARG  11  -0.968  -8.768   2.654
   83    HG2  ARG  11           HG2      ARG  11  -3.022  -8.635   4.084
   84    HG3  ARG  11           HG3      ARG  11  -3.964  -8.836   2.602
   85    HD2  ARG  11           HD2      ARG  11  -2.852 -10.921   2.137
   86    HD3  ARG  11           HD3      ARG  11  -1.826 -10.716   3.554
   87    HE   ARG  11           HE       ARG  11  -4.681 -10.738   4.026
   88   HH11  ARG  11          HH11      ARG  11  -1.602 -12.505   4.152
   89   HH12  ARG  11          HH12      ARG  11  -2.211 -13.815   5.019
   90   HH21  ARG  11          HH21      ARG  11  -5.524 -12.458   5.208
   91   HH22  ARG  11          HH22      ARG  11  -4.596 -13.839   5.623
   92    H    ARG  12           H        ARG  12  -0.102  -7.202   4.095
   93    HA   ARG  12           HA       ARG  12  -1.391  -7.022   6.546
   94    HB2  ARG  12           HB2      ARG  12   1.405  -6.096   5.878
   95    HB3  ARG  12           HB3      ARG  12   0.808  -6.407   7.498
   96    HG2  ARG  12           HG2      ARG  12   0.608  -8.752   7.022
   97    HG3  ARG  12           HG3      ARG  12   1.019  -8.476   5.322
   98    HD2  ARG  12           HD2      ARG  12   3.189  -7.571   6.024
   99    HD3  ARG  12           HD3      ARG  12   2.784  -7.935   7.695
  100    HE   ARG  12           HE       ARG  12   2.679 -10.185   5.893
  101   HH11  ARG  12          HH11      ARG  12   4.662  -8.247   8.106
  102   HH12  ARG  12          HH12      ARG  12   5.826  -9.437   8.404
  103   HH21  ARG  12          HH21      ARG  12   4.336 -11.885   6.289
  104   HH22  ARG  12          HH22      ARG  12   5.623 -11.557   7.369
  105    H    ALA  13           H        ALA  13   0.191  -4.459   4.708
  106    HA   ALA  13           HA       ALA  13  -0.366  -2.393   6.556
  107    HB1  ALA  13           HB1      ALA  13   0.348  -0.872   4.796
  108    HB2  ALA  13           HB2      ALA  13   0.256  -2.178   3.615
  109    HB3  ALA  13           HB3      ALA  13   1.446  -2.246   4.915
  110    H    LEU  14           H        LEU  14  -2.027  -3.558   3.674
  111    HA   LEU  14           HA       LEU  14  -3.995  -1.535   3.646
  112    HB2  LEU  14           HB2      LEU  14  -3.978  -4.271   2.398
  113    HB3  LEU  14           HB3      LEU  14  -5.254  -3.099   2.147
  114    HG   LEU  14           HG       LEU  14  -2.363  -2.743   1.352
  115   HD11  LEU  14          HD11      LEU  14  -3.216  -2.918  -0.928
  116   HD12  LEU  14          HD12      LEU  14  -4.830  -3.248  -0.298
  117   HD13  LEU  14          HD13      LEU  14  -3.517  -4.392  -0.007
  118   HD21  LEU  14          HD21      LEU  14  -4.769  -0.994   0.844
  119   HD22  LEU  14          HD22      LEU  14  -3.153  -0.745   0.186
  120   HD23  LEU  14          HD23      LEU  14  -3.427  -0.621   1.926
  121    H    VAL  15           H        VAL  15  -3.710  -4.352   5.562
  122    HA   VAL  15           HA       VAL  15  -6.483  -4.379   6.384
  123    HB   VAL  15           HB       VAL  15  -4.019  -5.591   7.721
  124   HG11  VAL  15          HG11      VAL  15  -5.844  -5.273   9.316
  125   HG12  VAL  15          HG12      VAL  15  -5.601  -6.986   8.973
  126   HG13  VAL  15          HG13      VAL  15  -6.948  -6.122   8.234
  127   HG21  VAL  15          HG21      VAL  15  -6.110  -6.873   5.961
  128   HG22  VAL  15          HG22      VAL  15  -4.794  -7.718   6.781
  129   HG23  VAL  15          HG23      VAL  15  -4.435  -6.544   5.514
  130    H    GLU  16           H        GLU  16  -3.423  -3.402   7.796
  131    HA   GLU  16           HA       GLU  16  -4.305  -2.231  10.150
  132    HB2  GLU  16           HB2      GLU  16  -1.885  -1.697   8.465
  133    HB3  GLU  16           HB3      GLU  16  -2.141  -0.977  10.051
  134    HG2  GLU  16           HG2      GLU  16  -2.055  -3.927   9.490
  135    HG3  GLU  16           HG3      GLU  16  -0.712  -2.968  10.118
  136    H    SER  17           H        SER  17  -3.997  -0.769   6.957
  137    HA   SER  17           HA       SER  17  -4.500   1.878   7.953
  138    HB2  SER  17           HB2      SER  17  -4.537   0.908   5.102
  139    HB3  SER  17           HB3      SER  17  -4.317   2.567   5.672
  140    HG   SER  17           HG       SER  17  -2.590   0.361   6.001
  141    H    ALA  18           H        ALA  18  -6.432  -0.769   6.932
  142    HA   ALA  18           HA       ALA  18  -8.677   0.738   6.030
  143    HB1  ALA  18           HB1      ALA  18  -8.247  -1.532   5.220
  144    HB2  ALA  18           HB2      ALA  18  -9.831  -1.418   5.989
  145    HB3  ALA  18           HB3      ALA  18  -8.484  -2.162   6.850
  146    H    GLY  19           H        GLY  19  -7.921  -1.098   8.979
  147    HA2  GLY  19           HA2      GLY  19  -8.774   0.685  10.800
  148    HA3  GLY  19           HA3      GLY  19 -10.273  -0.065  10.269
  149    H    GLU  20           H        GLU  20 -10.880  -1.869  11.184
  150    HA   GLU  20           HA       GLU  20  -9.065  -3.718  12.383
  151    HB2  GLU  20           HB2      GLU  20  -9.217  -1.921  14.111
  152    HB3  GLU  20           HB3      GLU  20 -10.957  -2.149  14.156
  153    HG2  GLU  20           HG2      GLU  20 -10.597  -4.472  14.892
  154    HG3  GLU  20           HG3      GLU  20  -8.862  -4.156  14.935
  155    H    THR  21           H        THR  21 -10.051  -5.690  12.543
  156    HA   THR  21           HA       THR  21 -11.537  -7.367  12.153
  157    HB   THR  21           HB       THR  21 -13.726  -5.440  13.032
  158    HG1  THR  21           HG1      THR  21 -11.531  -6.455  14.408
  159   HG21  THR  21          HG21      THR  21 -13.318  -8.419  13.449
  160   HG22  THR  21          HG22      THR  21 -14.424  -7.702  12.283
  161   HG23  THR  21          HG23      THR  21 -14.707  -7.487  14.012
  162    H    ASP  22           H        ASP  22 -10.815  -6.473   9.943
  163    HA   ASP  22           HA       ASP  22 -12.831  -5.098   8.426
  164    HB2  ASP  22           HB2      ASP  22 -10.163  -6.178   7.522
  165    HB3  ASP  22           HB3      ASP  22 -11.198  -5.058   6.634
  166    H    GLY  23           H        GLY  23 -14.482  -6.296   8.023
  167    HA2  GLY  23           HA2      GLY  23 -14.287  -9.034   7.198
  168    HA3  GLY  23           HA3      GLY  23 -15.757  -8.063   7.297
  169    H    THR  24           H        THR  24 -12.960  -8.749   5.451
  170    HA   THR  24           HA       THR  24 -14.389  -8.312   3.002
  171    HB   THR  24           HB       THR  24 -13.423  -6.051   3.498
  172    HG1  THR  24           HG1      THR  24 -12.300  -5.769   1.562
  173   HG21  THR  24          HG21      THR  24 -10.984  -5.712   3.487
  174   HG22  THR  24          HG22      THR  24 -10.744  -7.458   3.415
  175   HG23  THR  24          HG23      THR  24 -11.494  -6.730   4.837
  176    H    ASP  25           H        ASP  25 -12.395  -8.687   1.243
  177    HA   ASP  25           HA       ASP  25 -10.805 -10.956   2.144
  178    HB2  ASP  25           HB2      ASP  25 -12.741 -11.969   1.083
  179    HB3  ASP  25           HB3      ASP  25 -12.607 -10.886  -0.292
  180    H    LEU  26           H        LEU  26  -8.886 -10.065   1.983
  181    HA   LEU  26           HA       LEU  26  -8.175  -8.771  -0.527
  182    HB2  LEU  26           HB2      LEU  26  -8.900  -7.105   1.210
  183    HB3  LEU  26           HB3      LEU  26  -7.570  -7.649   2.204
  184    HG   LEU  26           HG       LEU  26  -5.999  -6.871   0.429
  185   HD11  LEU  26          HD11      LEU  26  -8.518  -5.712  -0.761
  186   HD12  LEU  26          HD12      LEU  26  -7.534  -6.996  -1.465
  187   HD13  LEU  26          HD13      LEU  26  -6.869  -5.373  -1.294
  188   HD21  LEU  26          HD21      LEU  26  -6.286  -4.500   0.937
  189   HD22  LEU  26          HD22      LEU  26  -6.514  -5.501   2.369
  190   HD23  LEU  26          HD23      LEU  26  -7.914  -4.824   1.535
  191    H    SER  27           H        SER  27  -7.112 -10.780  -0.871
  192    HA   SER  27           HA       SER  27  -4.391 -10.732  -0.070
  193    HB2  SER  27           HB2      SER  27  -5.531 -11.974   1.863
  194    HB3  SER  27           HB3      SER  27  -5.995 -13.198   0.678
  195    HG   SER  27           HG       SER  27  -4.105 -14.046   1.088
  196    H    GLY  28           H        GLY  28  -3.685 -13.275  -1.002
  197    HA2  GLY  28           HA2      GLY  28  -3.539 -14.590  -2.883
  198    HA3  GLY  28           HA3      GLY  28  -5.096 -13.947  -3.403
  199    H    ASP  29           H        ASP  29  -5.151 -12.462  -4.923
  200    HA   ASP  29           HA       ASP  29  -2.824 -10.834  -5.394
  201    HB2  ASP  29           HB2      ASP  29  -2.486 -12.620  -7.020
  202    HB3  ASP  29           HB3      ASP  29  -4.131 -12.417  -7.623
  203    H    PHE  30           H        PHE  30  -4.115  -9.433  -4.345
  204    HA   PHE  30           HA       PHE  30  -6.548  -8.474  -5.567
  205    HB2  PHE  30           HB2      PHE  30  -6.517  -6.858  -3.647
  206    HB3  PHE  30           HB3      PHE  30  -6.528  -8.553  -3.185
  207    HD1  PHE  30           HD1      PHE  30  -4.435  -5.540  -3.441
  208    HD2  PHE  30           HD2      PHE  30  -4.728  -9.498  -1.934
  209    HE1  PHE  30           HE1      PHE  30  -2.453  -5.152  -2.049
  210    HE2  PHE  30           HE2      PHE  30  -2.748  -9.115  -0.540
  211    HZ   PHE  30           HZ       PHE  30  -1.596  -6.998  -0.596
  212    H    LEU  31           H        LEU  31  -3.488  -8.085  -6.496
  213    HA   LEU  31           HA       LEU  31  -2.880  -5.454  -6.433
  214    HB2  LEU  31           HB2      LEU  31  -2.037  -7.758  -8.079
  215    HB3  LEU  31           HB3      LEU  31  -1.531  -6.160  -8.551
  216    HG   LEU  31           HG       LEU  31  -0.449  -5.865  -6.329
  217   HD11  LEU  31          HD11      LEU  31  -1.833  -7.341  -5.000
  218   HD12  LEU  31          HD12      LEU  31  -0.126  -7.768  -4.850
  219   HD13  LEU  31          HD13      LEU  31  -1.192  -8.739  -5.863
  220   HD21  LEU  31          HD21      LEU  31   0.892  -6.657  -8.183
  221   HD22  LEU  31          HD22      LEU  31   0.427  -8.324  -7.825
  222   HD23  LEU  31          HD23      LEU  31   1.406  -7.419  -6.675
  223    H    ASP  32           H        ASP  32  -5.195  -6.966  -8.578
  224    HA   ASP  32           HA       ASP  32  -5.132  -4.577 -10.256
  225    HB2  ASP  32           HB2      ASP  32  -6.379  -7.276 -10.696
  226    HB3  ASP  32           HB3      ASP  32  -6.763  -5.891 -11.706
  227    H    LEU  33           H        LEU  33  -6.640  -5.370  -7.504
  228    HA   LEU  33           HA       LEU  33  -9.295  -4.502  -8.250
  229    HB2  LEU  33           HB2      LEU  33  -8.093  -4.973  -5.521
  230    HB3  LEU  33           HB3      LEU  33  -9.789  -4.701  -5.863
  231    HG   LEU  33           HG       LEU  33  -8.163  -7.106  -6.679
  232   HD11  LEU  33          HD11      LEU  33 -10.409  -6.771  -4.719
  233   HD12  LEU  33          HD12      LEU  33  -8.710  -7.054  -4.327
  234   HD13  LEU  33          HD13      LEU  33  -9.648  -8.304  -5.155
  235   HD21  LEU  33          HD21      LEU  33  -9.821  -6.566  -8.390
  236   HD22  LEU  33          HD22      LEU  33 -11.083  -6.500  -7.160
  237   HD23  LEU  33          HD23      LEU  33 -10.274  -8.028  -7.514
  238    H    ARG  34           H        ARG  34  -9.881  -2.368  -8.292
  239    HA   ARG  34           HA       ARG  34  -7.944  -0.383  -7.776
  240    HB2  ARG  34           HB2      ARG  34 -10.362  -0.582  -9.144
  241    HB3  ARG  34           HB3      ARG  34 -10.665   0.568  -7.857
  242    HG2  ARG  34           HG2      ARG  34  -8.692   1.861  -8.548
  243    HG3  ARG  34           HG3      ARG  34  -8.485   0.667  -9.847
  244    HD2  ARG  34           HD2      ARG  34 -10.575   1.303 -10.842
  245    HD3  ARG  34           HD3      ARG  34 -10.945   2.366  -9.486
  246    HE   ARG  34           HE       ARG  34  -8.522   3.192 -10.642
  247   HH11  ARG  34          HH11      ARG  34 -11.978   3.229 -11.324
  248   HH12  ARG  34          HH12      ARG  34 -11.898   4.529 -12.424
  249   HH21  ARG  34          HH21      ARG  34  -8.388   4.951 -12.011
  250   HH22  ARG  34          HH22      ARG  34  -9.746   5.560 -12.858
  251    H    PHE  35           H        PHE  35  -7.739   0.981  -6.101
  252    HA   PHE  35           HA       PHE  35  -8.394   0.261  -3.543
  253    HB2  PHE  35           HB2      PHE  35  -7.707   2.972  -4.642
  254    HB3  PHE  35           HB3      PHE  35  -7.968   2.702  -2.925
  255    HD1  PHE  35           HD2      PHE  35  -6.539   0.838  -1.835
  256    HD2  PHE  35           HD1      PHE  35  -5.593   2.687  -5.545
  257    HE1  PHE  35           HE2      PHE  35  -4.194   0.153  -1.572
  258    HE2  PHE  35           HE1      PHE  35  -3.246   2.010  -5.287
  259    HZ   PHE  35           HZ       PHE  35  -2.543   0.742  -3.296
  260    H    GLU  36           H        GLU  36 -10.198   2.479  -5.593
  261    HA   GLU  36           HA       GLU  36 -12.124   3.341  -3.813
  262    HB2  GLU  36           HB2      GLU  36 -13.559   3.777  -5.723
  263    HB3  GLU  36           HB3      GLU  36 -11.903   4.246  -6.062
  264    HG2  GLU  36           HG2      GLU  36 -11.575   2.351  -7.467
  265    HG3  GLU  36           HG3      GLU  36 -13.118   1.653  -6.972
  266    H    ASP  37           H        ASP  37 -11.858   0.213  -5.314
  267    HA   ASP  37           HA       ASP  37 -14.628  -0.466  -4.822
  268    HB2  ASP  37           HB2      ASP  37 -13.242  -1.287  -6.804
  269    HB3  ASP  37           HB3      ASP  37 -12.412  -2.336  -5.665
  270    H    ILE  38           H        ILE  38 -11.486  -0.940  -3.423
  271    HA   ILE  38           HA       ILE  38 -12.532  -2.896  -1.534
  272    HB   ILE  38           HB       ILE  38 -10.178  -3.213  -0.787
  273   HG12  ILE  38          HG12      ILE  38  -9.508  -1.362  -3.093
  274   HG13  ILE  38          HG13      ILE  38  -9.345  -0.944  -1.394
  275   HG21  ILE  38          HG21      ILE  38  -9.431  -4.380  -2.814
  276   HG22  ILE  38          HG22      ILE  38 -10.677  -3.534  -3.735
  277   HG23  ILE  38          HG23      ILE  38 -11.137  -4.663  -2.460
  278   HD11  ILE  38          HD11      ILE  38  -7.822  -3.094  -2.858
  279   HD12  ILE  38          HD12      ILE  38  -7.653  -2.706  -1.146
  280   HD13  ILE  38          HD13      ILE  38  -7.199  -1.517  -2.367
  281    H    GLY  39           H        GLY  39 -13.117  -0.006  -1.444
  282    HA2  GLY  39           HA2      GLY  39 -13.810   1.322   0.328
  283    HA3  GLY  39           HA3      GLY  39 -13.084   0.158   1.421
  284    H    TYR  40           H        TYR  40 -11.063   1.463  -1.044
  285    HA   TYR  40           HA       TYR  40  -9.828   3.126   0.993
  286    HB2  TYR  40           HB2      TYR  40  -8.645   1.495  -1.196
  287    HB3  TYR  40           HB3      TYR  40  -7.851   3.002  -0.776
  288    HD1  TYR  40           HD1      TYR  40  -9.375   0.102   0.956
  289    HD2  TYR  40           HD2      TYR  40  -6.155   2.860   0.793
  290    HE1  TYR  40           HE1      TYR  40  -8.289  -1.078   2.795
  291    HE2  TYR  40           HE2      TYR  40  -5.055   1.688   2.649
  292    HH   TYR  40           HH       TYR  40  -5.505   0.172   4.381
  293    H    ASP  41           H        ASP  41 -10.486   5.000   0.887
  294    HA   ASP  41           HA       ASP  41 -11.363   6.359  -1.442
  295    HB2  ASP  41           HB2      ASP  41 -12.098   6.874   0.891
  296    HB3  ASP  41           HB3      ASP  41 -10.453   7.447   1.191
  297    H    SER  42           H        SER  42  -8.630   7.232   0.672
  298    HA   SER  42           HA       SER  42  -6.525   6.839  -0.992
  299    HB2  SER  42           HB2      SER  42  -5.910   9.137  -1.775
  300    HB3  SER  42           HB3      SER  42  -7.294   8.441  -2.619
  301    H    LEU  43           H        LEU  43  -7.895   8.780   1.532
  302    HA   LEU  43           HA       LEU  43  -5.431   9.576   2.594
  303    HB2  LEU  43           HB2      LEU  43  -8.124   9.286   3.931
  304    HB3  LEU  43           HB3      LEU  43  -6.716   9.941   4.736
  305    HG   LEU  43           HG       LEU  43  -6.653  11.642   2.827
  306   HD11  LEU  43          HD11      LEU  43  -8.162  10.766   1.253
  307   HD12  LEU  43          HD12      LEU  43  -8.852  12.256   1.889
  308   HD13  LEU  43          HD13      LEU  43  -9.460  10.699   2.446
  309   HD21  LEU  43          HD21      LEU  43  -8.225  13.127   3.982
  310   HD22  LEU  43          HD22      LEU  43  -7.169  12.250   5.091
  311   HD23  LEU  43          HD23      LEU  43  -8.845  11.738   4.874
  312    H    ALA  44           H        ALA  44  -7.510   6.834   3.348
  313    HA   ALA  44           HA       ALA  44  -5.743   5.598   5.180
  314    HB1  ALA  44           HB1      ALA  44  -7.058   3.562   4.786
  315    HB2  ALA  44           HB2      ALA  44  -7.806   4.314   3.375
  316    HB3  ALA  44           HB3      ALA  44  -8.113   4.961   4.984
  317    H    LEU  45           H        LEU  45  -5.887   5.727   1.760
  318    HA   LEU  45           HA       LEU  45  -4.154   3.581   1.102
  319    HB2  LEU  45           HB2      LEU  45  -5.788   4.778  -0.362
  320    HB3  LEU  45           HB3      LEU  45  -4.751   6.161  -0.414
  321    HG   LEU  45           HG       LEU  45  -4.328   3.435  -1.663
  322   HD11  LEU  45          HD11      LEU  45  -4.746   6.165  -2.839
  323   HD12  LEU  45          HD12      LEU  45  -5.912   4.843  -2.793
  324   HD13  LEU  45          HD13      LEU  45  -4.444   4.690  -3.756
  325   HD21  LEU  45          HD21      LEU  45  -2.460   5.811  -1.786
  326   HD22  LEU  45          HD22      LEU  45  -2.294   4.307  -2.696
  327   HD23  LEU  45          HD23      LEU  45  -2.146   4.299  -0.937
  328    H    MET  46           H        MET  46  -3.682   7.050   1.708
  329    HA   MET  46           HA       MET  46  -0.859   7.092   1.402
  330    HB2  MET  46           HB2      MET  46  -2.654   8.909   3.023
  331    HB3  MET  46           HB3      MET  46  -0.948   9.205   2.725
  332    HG2  MET  46           HG2      MET  46  -1.392   9.293   0.342
  333    HG3  MET  46           HG3      MET  46  -3.107   9.008   0.681
  334    HE1  MET  46           HE1      MET  46  -3.605  10.745   3.268
  335    HE2  MET  46           HE2      MET  46  -4.694  10.760   1.881
  336    HE3  MET  46           HE3      MET  46  -4.125  12.279   2.572
  337    H    GLU  47           H        GLU  47  -2.991   6.525   4.090
  338    HA   GLU  47           HA       GLU  47  -1.252   6.375   6.236
  339    HB2  GLU  47           HB2      GLU  47  -3.687   6.293   6.273
  340    HB3  GLU  47           HB3      GLU  47  -3.663   4.702   5.573
  341    HG2  GLU  47           HG2      GLU  47  -4.103   4.442   7.910
  342    HG3  GLU  47           HG3      GLU  47  -2.488   3.834   7.575
  343    H    THR  48           H        THR  48  -2.126   3.905   3.846
  344    HA   THR  48           HA       THR  48  -0.674   1.712   4.779
  345    HB   THR  48           HB       THR  48  -1.236   2.558   1.921
  346    HG1  THR  48           HG1      THR  48  -2.825   1.761   3.951
  347   HG21  THR  48          HG21      THR  48  -0.728  -0.186   3.095
  348   HG22  THR  48          HG22      THR  48   0.383   0.714   2.063
  349   HG23  THR  48          HG23      THR  48  -1.157   0.149   1.416
  350    H    ALA  49           H        ALA  49   0.184   4.088   2.299
  351    HA   ALA  49           HA       ALA  49   2.797   3.267   1.811
  352    HB1  ALA  49           HB1      ALA  49   1.546   4.775   0.347
  353    HB2  ALA  49           HB2      ALA  49   3.114   5.455   0.785
  354    HB3  ALA  49           HB3      ALA  49   1.648   6.042   1.569
  355    H    ALA  50           H        ALA  50   1.594   5.755   4.044
  356    HA   ALA  50           HA       ALA  50   4.046   6.703   4.971
  357    HB1  ALA  50           HB1      ALA  50   1.910   7.851   5.330
  358    HB2  ALA  50           HB2      ALA  50   2.798   7.640   6.837
  359    HB3  ALA  50           HB3      ALA  50   1.430   6.591   6.465
  360    H    ARG  51           H        ARG  51   2.046   4.057   6.179
  361    HA   ARG  51           HA       ARG  51   3.695   3.517   8.414
  362    HB2  ARG  51           HB2      ARG  51   1.756   1.717   6.968
  363    HB3  ARG  51           HB3      ARG  51   2.550   1.302   8.483
  364    HG2  ARG  51           HG2      ARG  51   1.545   3.281   9.523
  365    HG3  ARG  51           HG3      ARG  51   0.697   3.613   8.017
  366    HD2  ARG  51           HD2      ARG  51  -0.414   1.426   8.203
  367    HD3  ARG  51           HD3      ARG  51   0.392   1.180   9.758
  368    HE   ARG  51           HE       ARG  51  -1.126   3.616   9.451
  369   HH11  ARG  51          HH11      ARG  51  -0.976   0.369  10.891
  370   HH12  ARG  51          HH12      ARG  51  -2.382   0.589  11.821
  371   HH21  ARG  51          HH21      ARG  51  -2.954   3.922  10.784
  372   HH22  ARG  51          HH22      ARG  51  -3.541   2.669  11.788
  373    H    LEU  52           H        LEU  52   3.678   2.288   5.138
  374    HA   LEU  52           HA       LEU  52   5.757   0.420   5.598
  375    HB2  LEU  52           HB2      LEU  52   4.911   1.677   2.974
  376    HB3  LEU  52           HB3      LEU  52   5.926   0.255   3.163
  377    HG   LEU  52           HG       LEU  52   3.023   0.446   3.953
  378   HD11  LEU  52          HD11      LEU  52   3.343   0.385   1.543
  379   HD12  LEU  52          HD12      LEU  52   2.650  -1.126   2.136
  380   HD13  LEU  52          HD13      LEU  52   4.361  -1.047   1.717
  381   HD21  LEU  52          HD21      LEU  52   4.927  -1.892   4.043
  382   HD22  LEU  52          HD22      LEU  52   3.191  -1.953   4.375
  383   HD23  LEU  52          HD23      LEU  52   4.258  -1.038   5.437
  384    H    GLU  53           H        GLU  53   5.693   3.814   4.759
  385    HA   GLU  53           HA       GLU  53   8.322   4.245   3.991
  386    HB2  GLU  53           HB2      GLU  53   6.478   5.987   5.562
  387    HB3  GLU  53           HB3      GLU  53   8.039   6.556   4.997
  388    HG2  GLU  53           HG2      GLU  53   7.223   6.081   2.665
  389    HG3  GLU  53           HG3      GLU  53   5.640   5.758   3.365
  390    H    SER  54           H        SER  54   7.023   4.675   7.276
  391    HA   SER  54           HA       SER  54   9.548   5.111   8.409
  392    HB2  SER  54           HB2      SER  54   8.255   4.678  10.584
  393    HB3  SER  54           HB3      SER  54   7.706   6.003   9.560
  394    HG   SER  54           HG       SER  54   5.866   5.048   9.620
  395    H    ARG  55           H        ARG  55   7.587   2.223   8.159
  396    HA   ARG  55           HA       ARG  55   9.208   0.576   9.754
  397    HB2  ARG  55           HB2      ARG  55   6.940  -0.021   9.397
  398    HB3  ARG  55           HB3      ARG  55   7.152  -0.036   7.662
  399    HG2  ARG  55           HG2      ARG  55   8.401  -2.059   7.751
  400    HG3  ARG  55           HG3      ARG  55   8.511  -1.981   9.513
  401    HD2  ARG  55           HD2      ARG  55   5.865  -2.106   8.091
  402    HD3  ARG  55           HD3      ARG  55   6.765  -3.563   8.510
  403    HE   ARG  55           HE       ARG  55   6.457  -3.136  10.743
  404   HH11  ARG  55          HH11      ARG  55   4.783  -0.634   8.825
  405   HH12  ARG  55          HH12      ARG  55   3.836  -0.093  10.140
  406   HH21  ARG  55          HH21      ARG  55   5.063  -2.415  12.478
  407   HH22  ARG  55          HH22      ARG  55   3.987  -1.124  12.265
  408    H    TYR  56           H        TYR  56   9.166   0.913   6.180
  409    HA   TYR  56           HA       TYR  56  11.424  -0.941   6.161
  410    HB2  TYR  56           HB2      TYR  56   9.582  -0.150   3.912
  411    HB3  TYR  56           HB3      TYR  56  10.948  -1.255   3.755
  412    HD1  TYR  56           HD2      TYR  56  10.929  -3.245   5.516
  413    HD2  TYR  56           HD1      TYR  56   7.480  -1.075   4.307
  414    HE1  TYR  56           HE2      TYR  56   9.511  -5.123   6.217
  415    HE2  TYR  56           HE1      TYR  56   6.053  -2.939   5.007
  416    HH   TYR  56           HH       TYR  56   6.442  -5.562   5.286
  417    H    GLY  57           H        GLY  57  10.974   2.337   6.036
  418    HA2  GLY  57           HA2      GLY  57  12.707   3.885   5.897
  419    HA3  GLY  57           HA3      GLY  57  13.724   2.657   5.158
  420    H    VAL  58           H        VAL  58  10.550   3.445   3.982
  421    HA   VAL  58           HA       VAL  58  11.803   4.477   1.525
  422    HB   VAL  58           HB       VAL  58   9.886   3.819   0.235
  423   HG11  VAL  58          HG11      VAL  58  10.527   1.663   2.166
  424   HG12  VAL  58          HG12      VAL  58  11.435   2.049   0.691
  425   HG13  VAL  58          HG13      VAL  58   9.773   1.423   0.592
  426   HG21  VAL  58          HG21      VAL  58   8.095   4.391   1.798
  427   HG22  VAL  58          HG22      VAL  58   8.521   3.009   2.803
  428   HG23  VAL  58          HG23      VAL  58   7.892   2.754   1.176
  429    H    SER  59           H        SER  59  10.193   6.065   0.293
  430    HA   SER  59           HA       SER  59   8.534   7.487   2.148
  431    HB2  SER  59           HB2      SER  59  10.832   8.630   2.079
  432    HB3  SER  59           HB3      SER  59  10.458   9.032   0.398
  433    HG   SER  59           HG       SER  59   8.565   9.534   2.363
  434    H    ILE  60           H        ILE  60   6.739   8.277   1.170
  435    HA   ILE  60           HA       ILE  60   6.540   7.856  -1.736
  436    HB   ILE  60           HB       ILE  60   4.437   7.109   0.326
  437   HG12  ILE  60          HG12      ILE  60   6.254   5.468   0.231
  438   HG13  ILE  60          HG13      ILE  60   4.770   4.788  -0.425
  439   HG21  ILE  60          HG21      ILE  60   3.118   6.238  -1.555
  440   HG22  ILE  60          HG22      ILE  60   4.316   6.874  -2.684
  441   HG23  ILE  60          HG23      ILE  60   3.379   7.979  -1.680
  442   HD11  ILE  60          HD11      ILE  60   6.706   4.135  -1.744
  443   HD12  ILE  60          HD12      ILE  60   7.104   5.831  -2.020
  444   HD13  ILE  60          HD13      ILE  60   5.623   5.153  -2.694
  445    HA   PRO  61           HA       PRO  61   5.233  12.115  -1.408
  446    HB2  PRO  61           HB2      PRO  61   4.635  11.737  -4.281
  447    HB3  PRO  61           HB3      PRO  61   5.695  12.918  -3.499
  448    HG2  PRO  61           HG2      PRO  61   6.713  10.871  -4.878
  449    HG3  PRO  61           HG3      PRO  61   7.476  11.440  -3.383
  450    HD2  PRO  61           HD2      PRO  61   5.692   9.073  -3.812
  451    HD3  PRO  61           HD3      PRO  61   7.186   9.196  -2.857
  452    H    ASP  62           H        ASP  62   3.409  13.145  -1.281
  453    HA   ASP  62           HA       ASP  62   1.057  11.911  -0.545
  454    HB2  ASP  62           HB2      ASP  62   1.735  14.102   0.184
  455    HB3  ASP  62           HB3      ASP  62   1.572  14.734  -1.447
  456    H    ASP  63           H        ASP  63   1.702  13.659  -3.549
  457    HA   ASP  63           HA       ASP  63  -0.980  13.363  -4.521
  458    HB2  ASP  63           HB2      ASP  63   1.511  14.278  -5.972
  459    HB3  ASP  63           HB3      ASP  63  -0.114  14.358  -6.630
  460    H    VAL  64           H        VAL  64   1.802  11.481  -4.670
  461    HA   VAL  64           HA       VAL  64   1.123   9.898  -7.028
  462    HB   VAL  64           HB       VAL  64   3.007   9.295  -4.752
  463   HG11  VAL  64          HG11      VAL  64   4.123   7.821  -6.404
  464   HG12  VAL  64          HG12      VAL  64   2.884   8.236  -7.587
  465   HG13  VAL  64          HG13      VAL  64   2.447   7.346  -6.128
  466   HG21  VAL  64          HG21      VAL  64   4.805  10.164  -6.202
  467   HG22  VAL  64          HG22      VAL  64   3.627  11.404  -5.777
  468   HG23  VAL  64          HG23      VAL  64   3.590  10.666  -7.378
  469    H    ALA  65           H        ALA  65   1.016   9.483  -3.536
  470    HA   ALA  65           HA       ALA  65  -0.172   6.957  -3.512
  471    HB1  ALA  65           HB1      ALA  65   0.806   7.978  -1.524
  472    HB2  ALA  65           HB2      ALA  65  -0.872   7.514  -1.221
  473    HB3  ALA  65           HB3      ALA  65  -0.459   9.206  -1.534
  474    H    GLY  66           H        GLY  66  -1.596  10.190  -3.656
  475    HA2  GLY  66           HA2      GLY  66  -4.273   9.050  -3.855
  476    HA3  GLY  66           HA3      GLY  66  -3.870  10.763  -3.809
  477    H    ARG  67           H        ARG  67  -2.571   8.286  -5.899
  478    HA   ARG  67           HA       ARG  67  -3.852   9.489  -8.274
  479    HB2  ARG  67           HB2      ARG  67  -1.640  10.522  -8.049
  480    HB3  ARG  67           HB3      ARG  67  -0.896   8.933  -7.999
  481    HG2  ARG  67           HG2      ARG  67  -1.709   8.536 -10.300
  482    HG3  ARG  67           HG3      ARG  67  -2.319  10.196 -10.323
  483    HD2  ARG  67           HD2      ARG  67   0.556   9.360  -9.923
  484    HD3  ARG  67           HD3      ARG  67  -0.125  10.051 -11.395
  485    HE   ARG  67           HE       ARG  67  -0.709  11.968  -9.742
  486   HH11  ARG  67          HH11      ARG  67   2.340  10.119  -9.848
  487   HH12  ARG  67          HH12      ARG  67   3.294  11.413  -9.272
  488   HH21  ARG  67          HH21      ARG  67   0.635  13.729  -8.924
  489   HH22  ARG  67          HH22      ARG  67   2.298  13.490  -8.684
  490    H    VAL  68           H        VAL  68  -2.091   6.846  -6.792
  491    HA   VAL  68           HA       VAL  68  -2.200   5.127  -9.040
  492    HB   VAL  68           HB       VAL  68  -1.495   3.347  -7.314
  493   HG11  VAL  68          HG11      VAL  68   0.106   4.564  -8.726
  494   HG12  VAL  68          HG12      VAL  68   0.754   4.277  -7.111
  495   HG13  VAL  68          HG13      VAL  68   0.147   5.879  -7.545
  496   HG21  VAL  68          HG21      VAL  68  -0.729   4.175  -5.152
  497   HG22  VAL  68          HG22      VAL  68  -2.460   4.511  -5.335
  498   HG23  VAL  68          HG23      VAL  68  -1.266   5.796  -5.580
  499    H    ASP  69           H        ASP  69  -3.484   3.418  -9.465
  500    HA   ASP  69           HA       ASP  69  -6.204   3.742  -8.442
  501    HB2  ASP  69           HB2      ASP  69  -5.166   2.170 -10.807
  502    HB3  ASP  69           HB3      ASP  69  -6.855   2.424 -10.396
  503    H    THR  70           H        THR  70  -3.744   1.361  -8.973
  504    HA   THR  70           HA       THR  70  -5.328  -0.601  -7.474
  505    HB   THR  70           HB       THR  70  -4.022  -2.305  -8.820
  506    HG1  THR  70           HG1      THR  70  -3.062   0.085  -9.931
  507   HG21  THR  70          HG21      THR  70  -5.839  -0.415 -10.328
  508   HG22  THR  70          HG22      THR  70  -6.361  -1.768  -9.324
  509   HG23  THR  70          HG23      THR  70  -5.459  -2.069 -10.810
  510    HA   PRO  71           HA       PRO  71  -2.178  -0.929  -4.402
  511    HB2  PRO  71           HB2      PRO  71  -2.470  -3.884  -4.599
  512    HB3  PRO  71           HB3      PRO  71  -2.669  -2.823  -3.206
  513    HG2  PRO  71           HG2      PRO  71  -4.784  -3.879  -4.401
  514    HG3  PRO  71           HG3      PRO  71  -4.819  -2.209  -3.798
  515    HD2  PRO  71           HD2      PRO  71  -4.471  -3.213  -6.589
  516    HD3  PRO  71           HD3      PRO  71  -5.429  -1.842  -5.999
  517    H    ARG  72           H        ARG  72  -1.958  -2.880  -7.271
  518    HA   ARG  72           HA       ARG  72   0.586  -3.972  -7.219
  519    HB2  ARG  72           HB2      ARG  72  -1.071  -4.227  -9.065
  520    HB3  ARG  72           HB3      ARG  72  -0.712  -2.583  -9.575
  521    HG2  ARG  72           HG2      ARG  72   1.727  -3.414  -9.717
  522    HG3  ARG  72           HG3      ARG  72   0.997  -5.020  -9.729
  523    HD2  ARG  72           HD2      ARG  72   0.428  -2.782 -11.651
  524    HD3  ARG  72           HD3      ARG  72   1.413  -4.203 -11.974
  525    HE   ARG  72           HE       ARG  72  -1.416  -4.561 -11.288
  526   HH11  ARG  72          HH11      ARG  72   1.215  -4.811 -13.642
  527   HH12  ARG  72          HH12      ARG  72   0.256  -5.485 -14.866
  528   HH21  ARG  72          HH21      ARG  72  -2.787  -5.564 -13.041
  529   HH22  ARG  72          HH22      ARG  72  -2.016  -5.927 -14.495
  530    H    GLU  73           H        GLU  73  -0.429  -0.775  -8.277
  531    HA   GLU  73           HA       GLU  73   2.065   0.260  -9.042
  532    HB2  GLU  73           HB2      GLU  73  -0.466   1.650  -8.204
  533    HB3  GLU  73           HB3      GLU  73   0.858   2.370  -9.119
  534    HG2  GLU  73           HG2      GLU  73   0.432   0.990 -10.988
  535    HG3  GLU  73           HG3      GLU  73  -0.685  -0.017 -10.068
  536    H    LEU  74           H        LEU  74   0.203   0.422  -6.071
  537    HA   LEU  74           HA       LEU  74   1.872   2.320  -4.763
  538    HB2  LEU  74           HB2      LEU  74  -0.521   1.797  -4.197
  539    HB3  LEU  74           HB3      LEU  74  -0.003   0.269  -3.526
  540    HG   LEU  74           HG       LEU  74  -0.577   1.979  -1.824
  541   HD11  LEU  74          HD11      LEU  74   1.363   1.757  -0.372
  542   HD12  LEU  74          HD12      LEU  74   2.319   1.182  -1.740
  543   HD13  LEU  74          HD13      LEU  74   0.949   0.236  -1.162
  544   HD21  LEU  74          HD21      LEU  74   0.108   3.973  -2.995
  545   HD22  LEU  74          HD22      LEU  74   1.798   3.475  -2.910
  546   HD23  LEU  74          HD23      LEU  74   0.920   3.878  -1.431
  547    H    LEU  75           H        LEU  75   1.675  -1.211  -4.714
  548    HA   LEU  75           HA       LEU  75   3.762  -1.757  -2.939
  549    HB2  LEU  75           HB2      LEU  75   2.175  -3.440  -3.793
  550    HB3  LEU  75           HB3      LEU  75   2.917  -3.329  -5.374
  551    HG   LEU  75           HG       LEU  75   5.018  -4.225  -4.429
  552   HD11  LEU  75          HD11      LEU  75   5.006  -5.216  -2.191
  553   HD12  LEU  75          HD12      LEU  75   3.393  -4.564  -1.912
  554   HD13  LEU  75          HD13      LEU  75   4.760  -3.471  -2.138
  555   HD21  LEU  75          HD21      LEU  75   4.224  -6.524  -4.124
  556   HD22  LEU  75          HD22      LEU  75   3.411  -5.729  -5.473
  557   HD23  LEU  75          HD23      LEU  75   2.574  -5.926  -3.932
  558    H    ASP  76           H        ASP  76   3.780  -1.119  -6.393
  559    HA   ASP  76           HA       ASP  76   6.540  -1.667  -6.791
  560    HB2  ASP  76           HB2      ASP  76   4.885  -1.714  -8.636
  561    HB3  ASP  76           HB3      ASP  76   4.712   0.032  -8.499
  562    H    LEU  77           H        LEU  77   4.746   1.220  -5.971
  563    HA   LEU  77           HA       LEU  77   6.787   3.141  -6.200
  564    HB2  LEU  77           HB2      LEU  77   4.556   2.975  -4.168
  565    HB3  LEU  77           HB3      LEU  77   5.548   4.386  -4.436
  566    HG   LEU  77           HG       LEU  77   3.682   3.190  -6.483
  567   HD11  LEU  77          HD11      LEU  77   3.364   5.595  -4.691
  568   HD12  LEU  77          HD12      LEU  77   2.467   4.081  -4.569
  569   HD13  LEU  77          HD13      LEU  77   2.261   5.115  -5.982
  570   HD21  LEU  77          HD21      LEU  77   4.043   5.301  -7.661
  571   HD22  LEU  77          HD22      LEU  77   5.556   4.416  -7.454
  572   HD23  LEU  77          HD23      LEU  77   5.194   5.798  -6.421
  573    H    ILE  78           H        ILE  78   5.820   1.051  -3.547
  574    HA   ILE  78           HA       ILE  78   7.737   1.887  -1.647
  575    HB   ILE  78           HB       ILE  78   6.451  -0.850  -1.887
  576   HG12  ILE  78          HG12      ILE  78   4.734   0.912  -1.802
  577   HG13  ILE  78          HG13      ILE  78   4.739  -0.043  -0.326
  578   HG21  ILE  78          HG21      ILE  78   6.857  -1.004   0.536
  579   HG22  ILE  78          HG22      ILE  78   7.682   0.551   0.484
  580   HG23  ILE  78          HG23      ILE  78   8.355  -0.831  -0.380
  581   HD11  ILE  78          HD11      ILE  78   4.423   2.316   0.150
  582   HD12  ILE  78          HD12      ILE  78   5.935   2.697  -0.673
  583   HD13  ILE  78          HD13      ILE  78   5.957   1.747   0.813
  584    H    ASN  79           H        ASN  79   7.622  -0.979  -3.751
  585    HA   ASN  79           HA       ASN  79  10.162  -1.924  -3.094
  586    HB2  ASN  79           HB2      ASN  79   8.413  -2.497  -5.475
  587    HB3  ASN  79           HB3      ASN  79  10.008  -3.231  -5.304
  588   HD21  ASN  79          HD21      ASN  79   7.421  -4.582  -5.277
  589   HD22  ASN  79          HD22      ASN  79   7.341  -5.372  -3.748
  590    H    GLY  80           H        GLY  80   9.248   0.340  -5.608
  591    HA2  GLY  80           HA2      GLY  80  11.747   0.497  -6.881
  592    HA3  GLY  80           HA3      GLY  80  10.549   1.787  -6.818
  593    H    ALA  81           H        ALA  81  10.421   2.150  -4.079
  594    HA   ALA  81           HA       ALA  81  12.686   3.811  -3.619
  595    HB1  ALA  81           HB1      ALA  81  11.640   4.315  -1.467
  596    HB2  ALA  81           HB2      ALA  81  10.504   2.988  -1.698
  597    HB3  ALA  81           HB3      ALA  81  10.453   4.389  -2.771
  598    H    LEU  82           H        LEU  82  11.639   0.680  -2.420
  599    HA   LEU  82           HA       LEU  82  13.680   0.310  -0.524
  600    HB2  LEU  82           HB2      LEU  82  12.059  -1.683  -2.083
  601    HB3  LEU  82           HB3      LEU  82  13.256  -2.167  -0.903
  602    HG   LEU  82           HG       LEU  82  10.816  -0.493  -0.308
  603   HD11  LEU  82          HD11      LEU  82  10.276  -2.810  -0.891
  604   HD12  LEU  82          HD12      LEU  82  10.024  -2.497   0.832
  605   HD13  LEU  82          HD13      LEU  82  11.464  -3.363   0.292
  606   HD21  LEU  82          HD21      LEU  82  12.885  -1.732   1.497
  607   HD22  LEU  82          HD22      LEU  82  11.432  -0.883   2.024
  608   HD23  LEU  82          HD23      LEU  82  12.701  -0.013   1.160
  609    H    ALA  83           H        ALA  83  13.575  -0.426  -3.961
  610    HA   ALA  83           HA       ALA  83  16.085  -1.673  -4.092
  611    HB1  ALA  83           HB1      ALA  83  14.693  -0.068  -6.242
  612    HB2  ALA  83           HB2      ALA  83  14.442  -1.784  -5.914
  613    HB3  ALA  83           HB3      ALA  83  16.009  -1.216  -6.492
  614    H    GLU  84           H        GLU  84  15.156   1.684  -4.043
  615    HA   GLU  84           HA       GLU  84  17.806   2.682  -4.616
  616    HB2  GLU  84           HB2      GLU  84  15.392   4.124  -3.494
  617    HB3  GLU  84           HB3      GLU  84  16.869   4.888  -4.059
  618    HG2  GLU  84           HG2      GLU  84  14.923   3.326  -5.734
  619    HG3  GLU  84           HG3      GLU  84  15.100   5.080  -5.694
  620    H    ALA  85           H        ALA  85  16.087   1.606  -1.878
  621    HA   ALA  85           HA       ALA  85  17.817   2.994   0.015
  622    HB1  ALA  85           HB1      ALA  85  15.416   1.227   0.505
  623    HB2  ALA  85           HB2      ALA  85  15.403   2.989   0.448
  624    HB3  ALA  85           HB3      ALA  85  16.289   2.155   1.725
  625    H    ALA  86           H        ALA  86  18.140   0.416  -1.790
  626    HA   ALA  86           HA       ALA  86  19.070  -1.446   0.219
  627    HB1  ALA  86           HB1      ALA  86  19.081  -1.645  -2.797
  628    HB2  ALA  86           HB2      ALA  86  17.864  -2.335  -1.723
  629    HB3  ALA  86           HB3      ALA  86  19.520  -2.940  -1.682
  630    H28  SXA  87          H28A      SXA  87  -7.679  13.205  -0.704
  631   H28A  SXA  87          H28B      SXA  87  -6.435  12.079  -0.156
  632    H30  SXA  87          H30A      SXA  87  -4.113  12.575  -0.354
  633   H30A  SXA  87          H30B      SXA  87  -3.545  13.988  -1.241
  634   H30B  SXA  87          H30C      SXA  87  -4.324  12.659  -2.103
  635    H31  SXA  87          H31A      SXA  87  -5.953  14.263  -3.100
  636   H31A  SXA  87          H31B      SXA  87  -5.240  15.619  -2.224
  637   H31B  SXA  87          H31C      SXA  87  -6.958  15.263  -2.050
  638    H32  SXA  87          H32A      SXA  87  -5.236  14.123   1.142
  639   HO33  SXA  87          H33A      SXA  87  -7.352  15.726   0.242
  640   HN36  SXA  87          H36A      SXA  87  -3.211  15.305  -0.205
  641    H37  SXA  87          H37A      SXA  87  -2.832  17.661  -1.136
  642   H37A  SXA  87          H37B      SXA  87  -3.584  18.174   0.370
  643    H38  SXA  87          H38A      SXA  87  -0.997  16.638   0.100
  644   H38A  SXA  87          H38B      SXA  87  -1.139  18.352   0.430
  645   HN41  SXA  87          H41A      SXA  87  -3.576  16.890   2.071
  646    H42  SXA  87          H42A      SXA  87  -2.163  15.933   4.390
  647   H42A  SXA  87          H42B      SXA  87  -3.031  17.452   4.618
  648    H43  SXA  87          H43A      SXA  87  -4.244  14.848   3.673
  649   H43A  SXA  87          H43B      SXA  87  -5.124  16.357   3.974
  650    H2   SXA  87           H2C      SXA  87  -5.597  16.266   8.458
  651    H2A  SXA  87           H2A      SXA  87  -4.948  17.910   8.489
  652    H2B  SXA  87           H2B      SXA  87  -3.850  16.524   8.548
  Start of MODEL    2
    1    H1   MET   1           H1       MET   1  21.692  -5.292  -1.289
    2    H2   MET   1           H2       MET   1  21.332  -4.745   0.263
    3    H3   MET   1           H3       MET   1  20.667  -3.957  -1.039
    4    HA   MET   1           HA       MET   1  19.400  -5.984  -1.569
    5    HB2  MET   1           HB2      MET   1  20.638  -6.906   1.033
    6    HB3  MET   1           HB3      MET   1  19.204  -7.641   0.342
    7    HG2  MET   1           HG2      MET   1  20.498  -8.244  -1.649
    8    HG3  MET   1           HG3      MET   1  21.934  -7.544  -0.905
    9    HE1  MET   1           HE1      MET   1  19.726 -11.256   0.772
   10    HE2  MET   1           HE2      MET   1  19.232 -10.409  -0.696
   11    HE3  MET   1           HE3      MET   1  19.073  -9.621   0.873
   12    H    ALA   2           H        ALA   2  17.290  -6.043  -0.882
   13    HA   ALA   2           HA       ALA   2  16.458  -4.837   1.560
   14    HB1  ALA   2           HB1      ALA   2  15.833  -3.476  -1.070
   15    HB2  ALA   2           HB2      ALA   2  16.840  -2.816   0.218
   16    HB3  ALA   2           HB3      ALA   2  15.115  -3.071   0.491
   17    H    THR   3           H        THR   3  14.224  -5.249   1.876
   18    HA   THR   3           HA       THR   3  13.317  -7.615   0.536
   19    HB   THR   3           HB       THR   3  11.899  -5.838   2.542
   20    HG1  THR   3           HG1      THR   3  13.675  -8.021   2.831
   21   HG21  THR   3          HG21      THR   3  10.435  -7.466   1.413
   22   HG22  THR   3          HG22      THR   3  10.670  -7.898   3.105
   23   HG23  THR   3          HG23      THR   3  11.546  -8.767   1.844
   24    H    LEU   4           H        LEU   4  12.602  -7.240  -1.538
   25    HA   LEU   4           HA       LEU   4  10.992  -4.936  -2.115
   26    HB2  LEU   4           HB2      LEU   4  11.564  -7.383  -3.812
   27    HB3  LEU   4           HB3      LEU   4  10.740  -5.940  -4.375
   28    HG   LEU   4           HG       LEU   4  13.626  -6.127  -3.502
   29   HD11  LEU   4          HD11      LEU   4  14.121  -5.579  -5.825
   30   HD12  LEU   4          HD12      LEU   4  12.399  -5.626  -6.200
   31   HD13  LEU   4          HD13      LEU   4  13.229  -7.094  -5.683
   32   HD21  LEU   4          HD21      LEU   4  13.804  -3.780  -4.199
   33   HD22  LEU   4          HD22      LEU   4  12.681  -3.978  -2.852
   34   HD23  LEU   4          HD23      LEU   4  12.062  -3.739  -4.485
   35    H    LEU   5           H        LEU   5   9.239  -4.876  -1.122
   36    HA   LEU   5           HA       LEU   5   7.837  -6.890   0.095
   37    HB2  LEU   5           HB2      LEU   5   6.703  -4.283  -0.829
   38    HB3  LEU   5           HB3      LEU   5   6.015  -5.341   0.381
   39    HG   LEU   5           HG       LEU   5   8.543  -3.742   0.571
   40   HD11  LEU   5          HD11      LEU   5   5.992  -3.749   2.151
   41   HD12  LEU   5          HD12      LEU   5   6.477  -2.549   0.956
   42   HD13  LEU   5          HD13      LEU   5   7.394  -2.724   2.457
   43   HD21  LEU   5          HD21      LEU   5   8.950  -5.937   1.551
   44   HD22  LEU   5          HD22      LEU   5   7.473  -5.798   2.504
   45   HD23  LEU   5          HD23      LEU   5   8.825  -4.706   2.808
   46    H    THR   6           H        THR   6   6.007  -7.921  -0.194
   47    HA   THR   6           HA       THR   6   5.242  -8.344  -2.978
   48    HB   THR   6           HB       THR   6   4.622 -10.642  -2.195
   49    HG1  THR   6           HG1      THR   6   5.740  -9.613   0.220
   50   HG21  THR   6          HG21      THR   6   6.941 -11.477  -2.158
   51   HG22  THR   6          HG22      THR   6   7.518  -9.837  -1.856
   52   HG23  THR   6          HG23      THR   6   6.726 -10.225  -3.383
   53    H    THR   7           H        THR   7   3.060  -9.847  -2.717
   54    HA   THR   7           HA       THR   7   0.838  -8.361  -2.408
   55    HB   THR   7           HB       THR   7   1.191 -11.274  -1.738
   56    HG1  THR   7           HG1      THR   7   0.745 -10.580  -4.400
   57   HG21  THR   7          HG21      THR   7  -1.095 -10.400  -1.493
   58   HG22  THR   7          HG22      THR   7  -0.985 -11.509  -2.856
   59   HG23  THR   7          HG23      THR   7  -1.032  -9.769  -3.139
   60    H    ASP   8           H        ASP   8   2.196 -10.683  -0.091
   61    HA   ASP   8           HA       ASP   8   0.486 -10.481   2.039
   62    HB2  ASP   8           HB2      ASP   8   2.149 -12.181   1.957
   63    HB3  ASP   8           HB3      ASP   8   3.443 -10.987   2.006
   64    H    ASP   9           H        ASP   9   3.394  -8.585   1.487
   65    HA   ASP   9           HA       ASP   9   3.404  -7.252   3.986
   66    HB2  ASP   9           HB2      ASP   9   4.614  -6.299   1.392
   67    HB3  ASP   9           HB3      ASP   9   5.077  -5.788   3.009
   68    H    LEU  10           H        LEU  10   2.290  -6.402   0.799
   69    HA   LEU  10           HA       LEU  10   1.407  -3.796   1.357
   70    HB2  LEU  10           HB2      LEU  10   1.821  -4.750  -0.885
   71    HB3  LEU  10           HB3      LEU  10   0.421  -5.775  -0.686
   72    HG   LEU  10           HG       LEU  10  -1.027  -3.795  -0.664
   73   HD11  LEU  10          HD11      LEU  10   1.522  -2.275  -1.224
   74   HD12  LEU  10          HD12      LEU  10   0.571  -2.178   0.258
   75   HD13  LEU  10          HD13      LEU  10  -0.110  -1.608  -1.267
   76   HD21  LEU  10          HD21      LEU  10   0.863  -3.965  -2.997
   77   HD22  LEU  10          HD22      LEU  10  -0.743  -3.241  -3.019
   78   HD23  LEU  10          HD23      LEU  10  -0.558  -4.971  -2.734
   79    H    ARG  11           H        ARG  11  -0.273  -6.914   1.271
   80    HA   ARG  11           HA       ARG  11  -2.846  -6.209   1.966
   81    HB2  ARG  11           HB2      ARG  11  -2.280  -8.486   1.374
   82    HB3  ARG  11           HB3      ARG  11  -1.240  -8.623   2.788
   83    HG2  ARG  11           HG2      ARG  11  -3.240  -8.386   4.233
   84    HG3  ARG  11           HG3      ARG  11  -4.244  -8.349   2.787
   85    HD2  ARG  11           HD2      ARG  11  -4.237 -10.565   3.789
   86    HD3  ARG  11           HD3      ARG  11  -3.484 -10.591   2.199
   87    HE   ARG  11           HE       ARG  11  -1.319 -10.501   3.461
   88   HH11  ARG  11          HH11      ARG  11  -4.224 -11.987   4.923
   89   HH12  ARG  11          HH12      ARG  11  -3.320 -13.143   5.786
   90   HH21  ARG  11          HH21      ARG  11  -0.097 -12.076   4.771
   91   HH22  ARG  11          HH22      ARG  11  -0.989 -13.157   5.736
   92    H    ARG  12           H        ARG  12  -0.242  -7.160   4.174
   93    HA   ARG  12           HA       ARG  12  -1.666  -6.765   6.537
   94    HB2  ARG  12           HB2      ARG  12   1.321  -6.624   6.126
   95    HB3  ARG  12           HB3      ARG  12   0.526  -6.750   7.692
   96    HG2  ARG  12           HG2      ARG  12  -0.459  -8.921   6.896
   97    HG3  ARG  12           HG3      ARG  12   0.582  -8.791   5.478
   98    HD2  ARG  12           HD2      ARG  12   2.523  -8.594   7.070
   99    HD3  ARG  12           HD3      ARG  12   1.404  -9.025   8.360
  100    HE   ARG  12           HE       ARG  12   2.308 -10.717   6.155
  101   HH11  ARG  12          HH11      ARG  12   0.157 -10.589   9.025
  102   HH12  ARG  12          HH12      ARG  12   0.425 -12.226   9.422
  103   HH21  ARG  12          HH21      ARG  12   2.617 -12.949   6.759
  104   HH22  ARG  12          HH22      ARG  12   1.787 -13.618   8.091
  105    H    ALA  13           H        ALA  13   0.306  -4.495   4.707
  106    HA   ALA  13           HA       ALA  13   0.248  -2.374   6.589
  107    HB1  ALA  13           HB1      ALA  13   1.835  -2.470   4.714
  108    HB2  ALA  13           HB2      ALA  13   0.926  -0.959   4.728
  109    HB3  ALA  13           HB3      ALA  13   0.502  -2.233   3.587
  110    H    LEU  14           H        LEU  14  -1.819  -3.143   3.815
  111    HA   LEU  14           HA       LEU  14  -3.481  -0.882   3.970
  112    HB2  LEU  14           HB2      LEU  14  -4.011  -3.654   2.915
  113    HB3  LEU  14           HB3      LEU  14  -5.139  -2.329   2.746
  114    HG   LEU  14           HG       LEU  14  -2.355  -2.341   1.552
  115   HD11  LEU  14          HD11      LEU  14  -3.503  -2.769  -0.555
  116   HD12  LEU  14          HD12      LEU  14  -5.040  -2.888   0.303
  117   HD13  LEU  14          HD13      LEU  14  -3.776  -4.082   0.590
  118   HD21  LEU  14          HD21      LEU  14  -3.298  -0.115   1.952
  119   HD22  LEU  14          HD22      LEU  14  -4.755  -0.578   1.075
  120   HD23  LEU  14          HD23      LEU  14  -3.207  -0.485   0.232
  121    H    VAL  15           H        VAL  15  -3.701  -4.058   5.468
  122    HA   VAL  15           HA       VAL  15  -6.233  -3.711   6.662
  123    HB   VAL  15           HB       VAL  15  -3.944  -5.493   7.594
  124   HG11  VAL  15          HG11      VAL  15  -6.885  -5.594   8.295
  125   HG12  VAL  15          HG12      VAL  15  -5.580  -5.119   9.380
  126   HG13  VAL  15          HG13      VAL  15  -5.669  -6.777   8.779
  127   HG21  VAL  15          HG21      VAL  15  -4.677  -6.001   5.330
  128   HG22  VAL  15          HG22      VAL  15  -6.349  -6.096   5.875
  129   HG23  VAL  15          HG23      VAL  15  -5.170  -7.281   6.438
  130    H    GLU  16           H        GLU  16  -2.962  -3.055   7.870
  131    HA   GLU  16           HA       GLU  16  -3.740  -2.219  10.441
  132    HB2  GLU  16           HB2      GLU  16  -1.290  -1.541   8.825
  133    HB3  GLU  16           HB3      GLU  16  -1.527  -1.020  10.488
  134    HG2  GLU  16           HG2      GLU  16  -1.383  -3.857   9.504
  135    HG3  GLU  16           HG3      GLU  16  -0.141  -2.986  10.408
  136    H    SER  17           H        SER  17  -3.570  -0.494   7.411
  137    HA   SER  17           HA       SER  17  -3.994   2.053   8.583
  138    HB2  SER  17           HB2      SER  17  -4.338   1.094   5.759
  139    HB3  SER  17           HB3      SER  17  -4.275   2.782   6.277
  140    HG   SER  17           HG       SER  17  -2.217   2.166   7.265
  141    H    ALA  18           H        ALA  18  -6.058  -0.496   7.371
  142    HA   ALA  18           HA       ALA  18  -8.455   1.056   7.431
  143    HB1  ALA  18           HB1      ALA  18  -9.610  -1.128   7.334
  144    HB2  ALA  18           HB2      ALA  18  -8.076  -1.948   7.620
  145    HB3  ALA  18           HB3      ALA  18  -8.324  -1.036   6.132
  146    H    GLY  19           H        GLY  19  -6.781  -1.141   9.614
  147    HA2  GLY  19           HA2      GLY  19  -6.711  -1.282  11.889
  148    HA3  GLY  19           HA3      GLY  19  -7.339   0.357  11.918
  149    H    GLU  20           H        GLU  20  -8.935  -2.414  10.523
  150    HA   GLU  20           HA       GLU  20 -10.635  -2.930  12.710
  151    HB2  GLU  20           HB2      GLU  20 -11.523  -0.706  11.922
  152    HB3  GLU  20           HB3      GLU  20 -11.817  -1.430  10.349
  153    HG2  GLU  20           HG2      GLU  20 -13.825  -1.243  11.797
  154    HG3  GLU  20           HG3      GLU  20 -13.469  -2.891  11.264
  155    H    THR  21           H        THR  21 -11.918  -4.765  12.224
  156    HA   THR  21           HA       THR  21 -11.089  -6.134   9.794
  157    HB   THR  21           HB       THR  21 -12.749  -7.246  12.084
  158    HG1  THR  21           HG1      THR  21  -9.989  -6.740  11.866
  159   HG21  THR  21          HG21      THR  21 -11.003  -8.570   9.991
  160   HG22  THR  21          HG22      THR  21 -12.767  -8.535   9.979
  161   HG23  THR  21          HG23      THR  21 -11.911  -9.403  11.253
  162    H    ASP  22           H        ASP  22 -12.332  -4.648   8.520
  163    HA   ASP  22           HA       ASP  22 -15.186  -4.541   8.856
  164    HB2  ASP  22           HB2      ASP  22 -15.185  -3.000   7.009
  165    HB3  ASP  22           HB3      ASP  22 -13.859  -2.582   8.082
  166    H    GLY  23           H        GLY  23 -12.888  -6.183   6.766
  167    HA2  GLY  23           HA2      GLY  23 -13.750  -8.446   6.197
  168    HA3  GLY  23           HA3      GLY  23 -15.202  -7.621   5.642
  169    H    THR  24           H        THR  24 -12.625  -5.731   4.751
  170    HA   THR  24           HA       THR  24 -12.805  -6.687   2.078
  171    HB   THR  24           HB       THR  24 -12.583  -4.279   2.464
  172    HG1  THR  24           HG1      THR  24 -11.224  -3.860   0.870
  173   HG21  THR  24          HG21      THR  24  -9.832  -4.845   3.575
  174   HG22  THR  24          HG22      THR  24 -11.245  -4.359   4.501
  175   HG23  THR  24          HG23      THR  24 -10.539  -3.240   3.324
  176    H    ASP  25           H        ASP  25 -12.156  -8.774   2.217
  177    HA   ASP  25           HA       ASP  25  -9.695  -9.723   3.237
  178    HB2  ASP  25           HB2      ASP  25 -11.524 -11.289   2.863
  179    HB3  ASP  25           HB3      ASP  25 -11.490 -10.959   1.134
  180    H    LEU  26           H        LEU  26  -7.764  -9.547   2.499
  181    HA   LEU  26           HA       LEU  26  -7.365  -8.768  -0.312
  182    HB2  LEU  26           HB2      LEU  26  -5.681  -8.178   2.125
  183    HB3  LEU  26           HB3      LEU  26  -5.357  -7.626   0.497
  184    HG   LEU  26           HG       LEU  26  -7.764  -6.817   2.128
  185   HD11  LEU  26          HD11      LEU  26  -5.219  -5.320   1.541
  186   HD12  LEU  26          HD12      LEU  26  -5.717  -5.964   3.103
  187   HD13  LEU  26          HD13      LEU  26  -6.642  -4.663   2.349
  188   HD21  LEU  26          HD21      LEU  26  -8.063  -5.107   0.402
  189   HD22  LEU  26          HD22      LEU  26  -8.160  -6.729  -0.282
  190   HD23  LEU  26          HD23      LEU  26  -6.696  -5.768  -0.497
  191    H    SER  27           H        SER  27  -7.608 -11.497   0.588
  192    HA   SER  27           HA       SER  27  -4.864 -12.434   0.794
  193    HB2  SER  27           HB2      SER  27  -7.383 -14.077   0.845
  194    HB3  SER  27           HB3      SER  27  -5.770 -14.524   1.416
  195    HG   SER  27           HG       SER  27  -7.741 -13.019   2.606
  196    H    GLY  28           H        GLY  28  -4.106 -12.072  -1.275
  197    HA2  GLY  28           HA2      GLY  28  -3.772 -13.821  -3.118
  198    HA3  GLY  28           HA3      GLY  28  -5.460 -13.459  -3.470
  199    H    ASP  29           H        ASP  29  -4.678 -12.727  -5.579
  200    HA   ASP  29           HA       ASP  29  -3.048 -10.345  -5.443
  201    HB2  ASP  29           HB2      ASP  29  -2.610 -11.871  -7.336
  202    HB3  ASP  29           HB3      ASP  29  -4.229 -11.551  -7.961
  203    H    PHE  30           H        PHE  30  -4.463  -9.290  -4.155
  204    HA   PHE  30           HA       PHE  30  -6.868  -8.115  -5.212
  205    HB2  PHE  30           HB2      PHE  30  -6.870  -6.800  -3.110
  206    HB3  PHE  30           HB3      PHE  30  -6.546  -8.489  -2.784
  207    HD1  PHE  30           HD2      PHE  30  -4.382  -9.227  -2.023
  208    HD2  PHE  30           HD1      PHE  30  -5.119  -5.120  -2.788
  209    HE1  PHE  30           HE2      PHE  30  -2.327  -8.642  -0.823
  210    HE2  PHE  30           HE1      PHE  30  -3.064  -4.532  -1.588
  211    HZ   PHE  30           HZ       PHE  30  -1.665  -6.290  -0.604
  212    H    LEU  31           H        LEU  31  -3.627  -7.658  -5.549
  213    HA   LEU  31           HA       LEU  31  -3.151  -4.940  -5.753
  214    HB2  LEU  31           HB2      LEU  31  -1.876  -7.234  -7.213
  215    HB3  LEU  31           HB3      LEU  31  -1.328  -5.589  -7.391
  216    HG   LEU  31           HG       LEU  31  -0.805  -5.574  -4.932
  217   HD11  LEU  31          HD11      LEU  31  -2.248  -7.362  -4.180
  218   HD12  LEU  31          HD12      LEU  31  -0.565  -7.713  -3.789
  219   HD13  LEU  31          HD13      LEU  31  -1.341  -8.523  -5.149
  220   HD21  LEU  31          HD21      LEU  31   0.912  -5.908  -6.601
  221   HD22  LEU  31          HD22      LEU  31   0.577  -7.639  -6.626
  222   HD23  LEU  31          HD23      LEU  31   1.237  -6.889  -5.172
  223    H    ASP  32           H        ASP  32  -4.969  -6.895  -7.848
  224    HA   ASP  32           HA       ASP  32  -4.740  -5.129 -10.172
  225    HB2  ASP  32           HB2      ASP  32  -4.661  -7.534 -10.519
  226    HB3  ASP  32           HB3      ASP  32  -6.200  -7.732  -9.702
  227    H    LEU  33           H        LEU  33  -6.658  -5.469  -7.426
  228    HA   LEU  33           HA       LEU  33  -9.105  -4.480  -8.604
  229    HB2  LEU  33           HB2      LEU  33  -8.340  -4.939  -5.724
  230    HB3  LEU  33           HB3      LEU  33  -9.948  -4.561  -6.312
  231    HG   LEU  33           HG       LEU  33  -8.401  -7.084  -6.901
  232   HD11  LEU  33          HD11      LEU  33  -9.174  -6.967  -4.615
  233   HD12  LEU  33          HD12      LEU  33 -10.109  -8.158  -5.528
  234   HD13  LEU  33          HD13      LEU  33 -10.796  -6.568  -5.177
  235   HD21  LEU  33          HD21      LEU  33  -9.837  -6.448  -8.760
  236   HD22  LEU  33          HD22      LEU  33 -11.200  -6.272  -7.655
  237   HD23  LEU  33          HD23      LEU  33 -10.481  -7.860  -7.924
  238    H    ARG  34           H        ARG  34  -9.765  -2.370  -8.412
  239    HA   ARG  34           HA       ARG  34  -7.645  -0.487  -7.864
  240    HB2  ARG  34           HB2      ARG  34 -10.527   0.033  -8.622
  241    HB3  ARG  34           HB3      ARG  34  -9.252   1.243  -8.568
  242    HG2  ARG  34           HG2      ARG  34  -8.043   0.007 -10.330
  243    HG3  ARG  34           HG3      ARG  34  -9.387  -1.131 -10.416
  244    HD2  ARG  34           HD2      ARG  34  -9.635   0.481 -12.176
  245    HD3  ARG  34           HD3      ARG  34 -10.884   0.766 -10.967
  246    HE   ARG  34           HE       ARG  34  -8.425   2.326 -10.835
  247   HH11  ARG  34          HH11      ARG  34 -11.906   2.252 -11.530
  248   HH12  ARG  34          HH12      ARG  34 -12.071   3.934 -11.560
  249   HH21  ARG  34          HH21      ARG  34  -8.652   4.664 -10.980
  250   HH22  ARG  34          HH22      ARG  34 -10.203   5.326 -11.220
  251    H    PHE  35           H        PHE  35  -7.594   1.071  -6.261
  252    HA   PHE  35           HA       PHE  35  -8.275   0.303  -3.713
  253    HB2  PHE  35           HB2      PHE  35  -7.674   3.056  -4.757
  254    HB3  PHE  35           HB3      PHE  35  -8.003   2.759  -3.058
  255    HD1  PHE  35           HD2      PHE  35  -6.541   0.974  -1.903
  256    HD2  PHE  35           HD1      PHE  35  -5.519   2.848  -5.578
  257    HE1  PHE  35           HE2      PHE  35  -4.181   0.392  -1.537
  258    HE2  PHE  35           HE1      PHE  35  -3.158   2.272  -5.220
  259    HZ   PHE  35           HZ       PHE  35  -2.485   1.042  -3.197
  260    H    GLU  36           H        GLU  36 -10.120   2.595  -5.672
  261    HA   GLU  36           HA       GLU  36 -12.117   3.161  -3.801
  262    HB2  GLU  36           HB2      GLU  36 -13.475   3.873  -5.712
  263    HB3  GLU  36           HB3      GLU  36 -11.821   4.460  -5.818
  264    HG2  GLU  36           HG2      GLU  36 -11.341   2.552  -7.361
  265    HG3  GLU  36           HG3      GLU  36 -13.073   2.215  -7.374
  266    H    ASP  37           H        ASP  37 -11.643   0.354  -5.726
  267    HA   ASP  37           HA       ASP  37 -14.373  -0.580  -5.503
  268    HB2  ASP  37           HB2      ASP  37 -13.123  -1.006  -7.557
  269    HB3  ASP  37           HB3      ASP  37 -11.907  -1.897  -6.654
  270    H    ILE  38           H        ILE  38 -11.363  -0.943  -3.848
  271    HA   ILE  38           HA       ILE  38 -12.457  -3.172  -2.318
  272    HB   ILE  38           HB       ILE  38 -10.229  -3.385  -1.228
  273   HG12  ILE  38          HG12      ILE  38  -9.360  -1.279  -3.225
  274   HG13  ILE  38          HG13      ILE  38  -9.497  -1.033  -1.490
  275   HG21  ILE  38          HG21      ILE  38 -10.204  -3.478  -4.233
  276   HG22  ILE  38          HG22      ILE  38 -10.770  -4.743  -3.146
  277   HG23  ILE  38          HG23      ILE  38  -9.059  -4.306  -3.177
  278   HD11  ILE  38          HD11      ILE  38  -7.188  -1.346  -2.143
  279   HD12  ILE  38          HD12      ILE  38  -7.585  -2.899  -2.885
  280   HD13  ILE  38          HD13      ILE  38  -7.721  -2.696  -1.138
  281    H    GLY  39           H        GLY  39 -13.030  -0.165  -2.175
  282    HA2  GLY  39           HA2      GLY  39 -14.225   0.898  -0.468
  283    HA3  GLY  39           HA3      GLY  39 -13.571  -0.257   0.676
  284    H    TYR  40           H        TYR  40 -11.164   1.207  -1.266
  285    HA   TYR  40           HA       TYR  40 -10.393   2.703   1.089
  286    HB2  TYR  40           HB2      TYR  40  -8.788   1.708  -1.254
  287    HB3  TYR  40           HB3      TYR  40  -8.159   2.973  -0.209
  288    HD1  TYR  40           HD1      TYR  40 -10.003  -0.237   0.411
  289    HD2  TYR  40           HD2      TYR  40  -6.592   2.155   1.272
  290    HE1  TYR  40           HE1      TYR  40  -9.247  -1.920   2.020
  291    HE2  TYR  40           HE2      TYR  40  -5.810   0.466   2.882
  292    HH   TYR  40           HH       TYR  40  -6.712  -1.366   4.244
  293    H    ASP  41           H        ASP  41 -10.670   4.656   1.317
  294    HA   ASP  41           HA       ASP  41 -11.779   6.416  -0.631
  295    HB2  ASP  41           HB2      ASP  41 -12.308   6.494   1.776
  296    HB3  ASP  41           HB3      ASP  41 -10.613   6.881   2.081
  297    H    SER  42           H        SER  42  -8.929   7.045   1.381
  298    HA   SER  42           HA       SER  42  -6.945   7.126  -0.536
  299    HB2  SER  42           HB2      SER  42  -6.582   9.510  -0.935
  300    HB3  SER  42           HB3      SER  42  -8.170   9.044  -1.543
  301    H    LEU  43           H        LEU  43  -8.184   8.761   2.310
  302    HA   LEU  43           HA       LEU  43  -5.713   9.305   3.487
  303    HB2  LEU  43           HB2      LEU  43  -8.286   8.632   4.900
  304    HB3  LEU  43           HB3      LEU  43  -6.867   9.295   5.680
  305    HG   LEU  43           HG       LEU  43  -8.631  10.637   3.652
  306   HD11  LEU  43          HD11      LEU  43  -8.964  12.249   5.448
  307   HD12  LEU  43          HD12      LEU  43  -7.942  11.279   6.511
  308   HD13  LEU  43          HD13      LEU  43  -9.477  10.630   5.927
  309   HD21  LEU  43          HD21      LEU  43  -7.136  12.553   3.848
  310   HD22  LEU  43          HD22      LEU  43  -6.311  11.153   3.162
  311   HD23  LEU  43          HD23      LEU  43  -6.044  11.596   4.848
  312    H    ALA  44           H        ALA  44  -7.691   6.394   3.850
  313    HA   ALA  44           HA       ALA  44  -5.912   5.012   5.545
  314    HB1  ALA  44           HB1      ALA  44  -7.799   3.847   3.490
  315    HB2  ALA  44           HB2      ALA  44  -8.220   4.262   5.151
  316    HB3  ALA  44           HB3      ALA  44  -7.065   2.968   4.831
  317    H    LEU  45           H        LEU  45  -6.042   5.419   2.124
  318    HA   LEU  45           HA       LEU  45  -4.147   3.471   1.325
  319    HB2  LEU  45           HB2      LEU  45  -5.893   4.620  -0.045
  320    HB3  LEU  45           HB3      LEU  45  -4.977   6.086  -0.015
  321    HG   LEU  45           HG       LEU  45  -4.364   3.491  -1.450
  322   HD11  LEU  45          HD11      LEU  45  -4.933   6.265  -2.448
  323   HD12  LEU  45          HD12      LEU  45  -6.019   4.874  -2.496
  324   HD13  LEU  45          HD13      LEU  45  -4.539   4.872  -3.455
  325   HD21  LEU  45          HD21      LEU  45  -2.630   5.969  -1.390
  326   HD22  LEU  45          HD22      LEU  45  -2.376   4.549  -2.408
  327   HD23  LEU  45          HD23      LEU  45  -2.232   4.414  -0.655
  328    H    MET  46           H        MET  46  -3.946   6.942   2.020
  329    HA   MET  46           HA       MET  46  -1.199   7.390   1.640
  330    HB2  MET  46           HB2      MET  46  -3.111   8.711   3.567
  331    HB3  MET  46           HB3      MET  46  -1.509   9.313   3.176
  332    HG2  MET  46           HG2      MET  46  -3.677   8.904   1.164
  333    HG3  MET  46           HG3      MET  46  -3.417  10.419   2.010
  334    HE1  MET  46           HE1      MET  46  -3.535  10.151  -1.130
  335    HE2  MET  46           HE2      MET  46  -2.177  11.167  -1.613
  336    HE3  MET  46           HE3      MET  46  -3.236  11.678  -0.299
  337    H    GLU  47           H        GLU  47  -3.028   6.350   4.423
  338    HA   GLU  47           HA       GLU  47  -0.962   6.396   6.334
  339    HB2  GLU  47           HB2      GLU  47  -3.563   6.232   6.465
  340    HB3  GLU  47           HB3      GLU  47  -3.290   4.500   6.426
  341    HG2  GLU  47           HG2      GLU  47  -2.249   6.421   8.519
  342    HG3  GLU  47           HG3      GLU  47  -3.606   5.329   8.708
  343    H    THR  48           H        THR  48  -2.172   3.923   4.100
  344    HA   THR  48           HA       THR  48  -0.577   1.777   4.903
  345    HB   THR  48           HB       THR  48  -1.695   2.546   2.209
  346    HG1  THR  48           HG1      THR  48  -2.672   1.528   4.494
  347   HG21  THR  48          HG21      THR  48  -1.459   0.165   1.634
  348   HG22  THR  48          HG22      THR  48  -0.552  -0.108   3.125
  349   HG23  THR  48          HG23      THR  48   0.108   0.946   1.860
  350    H    ALA  49           H        ALA  49  -0.028   4.284   2.461
  351    HA   ALA  49           HA       ALA  49   2.534   3.510   1.661
  352    HB1  ALA  49           HB1      ALA  49   1.402   6.310   1.842
  353    HB2  ALA  49           HB2      ALA  49   1.228   5.215   0.467
  354    HB3  ALA  49           HB3      ALA  49   2.820   5.837   0.905
  355    H    ALA  50           H        ALA  50   1.504   5.793   4.175
  356    HA   ALA  50           HA       ALA  50   3.999   6.491   5.185
  357    HB1  ALA  50           HB1      ALA  50   2.812   7.221   7.179
  358    HB2  ALA  50           HB2      ALA  50   1.391   6.302   6.684
  359    HB3  ALA  50           HB3      ALA  50   1.931   7.680   5.720
  360    H    ARG  51           H        ARG  51   1.928   3.776   5.968
  361    HA   ARG  51           HA       ARG  51   3.201   2.780   8.242
  362    HB2  ARG  51           HB2      ARG  51   1.013   2.030   7.240
  363    HB3  ARG  51           HB3      ARG  51   1.933   1.161   6.023
  364    HG2  ARG  51           HG2      ARG  51   1.246  -0.384   7.700
  365    HG3  ARG  51           HG3      ARG  51   2.991  -0.144   7.857
  366    HD2  ARG  51           HD2      ARG  51   2.592   1.490   9.635
  367    HD3  ARG  51           HD3      ARG  51   0.858   1.215   9.450
  368    HE   ARG  51           HE       ARG  51   2.306  -1.170  10.003
  369   HH11  ARG  51          HH11      ARG  51   0.921   1.725  11.481
  370   HH12  ARG  51          HH12      ARG  51   0.605   1.002  12.983
  371   HH21  ARG  51          HH21      ARG  51   1.881  -2.201  12.048
  372   HH22  ARG  51          HH22      ARG  51   1.180  -1.298  13.325
  373    H    LEU  52           H        LEU  52   3.644   1.978   4.838
  374    HA   LEU  52           HA       LEU  52   5.839   0.264   5.323
  375    HB2  LEU  52           HB2      LEU  52   4.953   1.526   2.727
  376    HB3  LEU  52           HB3      LEU  52   6.115   0.218   2.886
  377    HG   LEU  52           HG       LEU  52   3.191   0.075   3.625
  378   HD11  LEU  52          HD11      LEU  52   4.721  -1.230   1.402
  379   HD12  LEU  52          HD12      LEU  52   3.546   0.076   1.227
  380   HD13  LEU  52          HD13      LEU  52   3.026  -1.516   1.789
  381   HD21  LEU  52          HD21      LEU  52   4.537  -1.291   5.122
  382   HD22  LEU  52          HD22      LEU  52   5.329  -2.049   3.739
  383   HD23  LEU  52          HD23      LEU  52   3.609  -2.308   4.021
  384    H    GLU  53           H        GLU  53   5.567   3.672   4.453
  385    HA   GLU  53           HA       GLU  53   8.263   4.260   4.027
  386    HB2  GLU  53           HB2      GLU  53   6.148   5.945   5.344
  387    HB3  GLU  53           HB3      GLU  53   7.722   6.569   4.878
  388    HG2  GLU  53           HG2      GLU  53   7.150   6.060   2.517
  389    HG3  GLU  53           HG3      GLU  53   5.550   5.543   3.050
  390    H    SER  54           H        SER  54   6.390   4.274   7.023
  391    HA   SER  54           HA       SER  54   8.440   4.989   8.764
  392    HB2  SER  54           HB2      SER  54   5.992   3.298   9.309
  393    HB3  SER  54           HB3      SER  54   7.001   4.069  10.531
  394    HG   SER  54           HG       SER  54   6.142   5.827   8.618
  395    H    ARG  55           H        ARG  55   7.140   1.718   8.086
  396    HA   ARG  55           HA       ARG  55   8.930   0.450   9.833
  397    HB2  ARG  55           HB2      ARG  55   6.800  -0.582   9.121
  398    HB3  ARG  55           HB3      ARG  55   7.481  -0.840   7.516
  399    HG2  ARG  55           HG2      ARG  55   9.328  -2.151   8.662
  400    HG3  ARG  55           HG3      ARG  55   8.331  -2.096  10.111
  401    HD2  ARG  55           HD2      ARG  55   7.524  -3.269   7.456
  402    HD3  ARG  55           HD3      ARG  55   8.090  -4.187   8.842
  403    HE   ARG  55           HE       ARG  55   5.832  -2.621   9.536
  404   HH11  ARG  55          HH11      ARG  55   6.676  -5.453   7.582
  405   HH12  ARG  55          HH12      ARG  55   5.265  -6.320   7.959
  406   HH21  ARG  55          HH21      ARG  55   3.874  -3.737  10.013
  407   HH22  ARG  55          HH22      ARG  55   3.548  -5.275   9.377
  408    H    TYR  56           H        TYR  56   9.189   0.984   6.316
  409    HA   TYR  56           HA       TYR  56  11.633  -0.613   6.410
  410    HB2  TYR  56           HB2      TYR  56  10.011   0.234   4.014
  411    HB3  TYR  56           HB3      TYR  56  11.472  -0.750   3.951
  412    HD1  TYR  56           HD2      TYR  56  11.474  -2.997   5.100
  413    HD2  TYR  56           HD1      TYR  56   7.922  -0.739   4.516
  414    HE1  TYR  56           HE2      TYR  56  10.132  -5.011   5.518
  415    HE2  TYR  56           HE1      TYR  56   6.571  -2.733   4.931
  416    HH   TYR  56           HH       TYR  56   6.844  -5.211   4.811
  417    H    GLY  57           H        GLY  57  10.671   2.666   6.077
  418    HA2  GLY  57           HA2      GLY  57  12.141   4.458   6.196
  419    HA3  GLY  57           HA3      GLY  57  13.475   3.362   5.851
  420    H    VAL  58           H        VAL  58  10.500   4.404   4.266
  421    HA   VAL  58           HA       VAL  58  12.029   5.067   1.856
  422    HB   VAL  58           HB       VAL  58  10.368   4.137   0.364
  423   HG11  VAL  58          HG11      VAL  58  11.996   2.525   1.094
  424   HG12  VAL  58          HG12      VAL  58  10.414   1.763   0.821
  425   HG13  VAL  58          HG13      VAL  58  10.952   2.115   2.465
  426   HG21  VAL  58          HG21      VAL  58   8.373   2.908   1.112
  427   HG22  VAL  58          HG22      VAL  58   8.341   4.593   1.636
  428   HG23  VAL  58          HG23      VAL  58   8.754   3.323   2.784
  429    H    SER  59           H        SER  59  10.459   6.466   0.386
  430    HA   SER  59           HA       SER  59   8.367   7.575   1.996
  431    HB2  SER  59           HB2      SER  59  10.446   9.014   2.331
  432    HB3  SER  59           HB3      SER  59  10.252   9.496   0.640
  433    HG   SER  59           HG       SER  59   8.002   9.552   2.240
  434    H    ILE  60           H        ILE  60   6.658   8.020   0.943
  435    HA   ILE  60           HA       ILE  60   6.709   7.656  -1.975
  436    HB   ILE  60           HB       ILE  60   4.445   7.098  -0.024
  437   HG12  ILE  60          HG12      ILE  60   6.240   5.463   0.191
  438   HG13  ILE  60          HG13      ILE  60   4.838   4.704  -0.539
  439   HG21  ILE  60          HG21      ILE  60   3.594   7.802  -2.195
  440   HG22  ILE  60          HG22      ILE  60   3.280   6.086  -1.930
  441   HG23  ILE  60          HG23      ILE  60   4.595   6.588  -2.995
  442   HD11  ILE  60          HD11      ILE  60   7.325   5.644  -1.969
  443   HD12  ILE  60          HD12      ILE  60   5.918   4.922  -2.749
  444   HD13  ILE  60          HD13      ILE  60   6.883   3.972  -1.618
  445    HA   PRO  61           HA       PRO  61   5.514  11.973  -2.053
  446    HB2  PRO  61           HB2      PRO  61   4.610  11.218  -4.786
  447    HB3  PRO  61           HB3      PRO  61   5.692  12.522  -4.285
  448    HG2  PRO  61           HG2      PRO  61   6.660  10.347  -5.466
  449    HG3  PRO  61           HG3      PRO  61   7.530  11.119  -4.125
  450    HD2  PRO  61           HD2      PRO  61   5.845   8.651  -4.118
  451    HD3  PRO  61           HD3      PRO  61   7.374   8.974  -3.269
  452    H    ASP  62           H        ASP  62   3.703  12.840  -1.445
  453    HA   ASP  62           HA       ASP  62   1.422  11.480  -0.691
  454    HB2  ASP  62           HB2      ASP  62   1.786  14.415  -1.270
  455    HB3  ASP  62           HB3      ASP  62   0.305  13.753  -0.599
  456    H    ASP  63           H        ASP  63   1.871  13.374  -3.629
  457    HA   ASP  63           HA       ASP  63  -0.844  13.040  -4.433
  458    HB2  ASP  63           HB2      ASP  63   1.558  13.955  -6.012
  459    HB3  ASP  63           HB3      ASP  63  -0.065  13.864  -6.677
  460    H    VAL  64           H        VAL  64   2.098  11.276  -5.030
  461    HA   VAL  64           HA       VAL  64   0.903   9.727  -7.183
  462    HB   VAL  64           HB       VAL  64   3.478   9.091  -5.710
  463   HG11  VAL  64          HG11      VAL  64   4.060   7.916  -7.800
  464   HG12  VAL  64          HG12      VAL  64   2.468   8.332  -8.447
  465   HG13  VAL  64          HG13      VAL  64   2.599   7.264  -7.053
  466   HG21  VAL  64          HG21      VAL  64   3.109  10.798  -8.174
  467   HG22  VAL  64          HG22      VAL  64   4.658  10.282  -7.504
  468   HG23  VAL  64          HG23      VAL  64   3.614  11.363  -6.582
  469    H    ALA  65           H        ALA  65   1.444   9.336  -3.759
  470    HA   ALA  65           HA       ALA  65   0.591   6.685  -3.518
  471    HB1  ALA  65           HB1      ALA  65   0.108   9.000  -1.622
  472    HB2  ALA  65           HB2      ALA  65   1.531   7.958  -1.633
  473    HB3  ALA  65           HB3      ALA  65  -0.045   7.292  -1.212
  474    H    GLY  66           H        GLY  66  -1.228   9.716  -3.467
  475    HA2  GLY  66           HA2      GLY  66  -3.746   8.280  -3.652
  476    HA3  GLY  66           HA3      GLY  66  -3.521  10.000  -3.480
  477    H    ARG  67           H        ARG  67  -2.055   7.928  -5.890
  478    HA   ARG  67           HA       ARG  67  -3.547   9.361  -8.024
  479    HB2  ARG  67           HB2      ARG  67  -1.163  10.224  -7.618
  480    HB3  ARG  67           HB3      ARG  67  -0.623   8.679  -8.248
  481    HG2  ARG  67           HG2      ARG  67  -0.525  10.338  -9.969
  482    HG3  ARG  67           HG3      ARG  67  -1.803   9.178 -10.358
  483    HD2  ARG  67           HD2      ARG  67  -2.506  11.477 -10.763
  484    HD3  ARG  67           HD3      ARG  67  -3.479  10.703  -9.509
  485    HE   ARG  67           HE       ARG  67  -1.196  12.360  -8.757
  486   HH11  ARG  67          HH11      ARG  67  -4.711  12.000  -8.937
  487   HH12  ARG  67          HH12      ARG  67  -5.071  13.180  -7.769
  488   HH21  ARG  67          HH21      ARG  67  -1.679  14.061  -7.182
  489   HH22  ARG  67          HH22      ARG  67  -3.278  14.398  -6.741
  490    H    VAL  68           H        VAL  68  -1.763   6.611  -6.922
  491    HA   VAL  68           HA       VAL  68  -2.050   5.087  -9.290
  492    HB   VAL  68           HB       VAL  68  -1.203   3.207  -7.818
  493   HG11  VAL  68          HG11      VAL  68   0.352   5.800  -7.739
  494   HG12  VAL  68          HG12      VAL  68   0.334   4.645  -9.076
  495   HG13  VAL  68          HG13      VAL  68   1.026   4.186  -7.518
  496   HG21  VAL  68          HG21      VAL  68  -2.152   4.021  -5.686
  497   HG22  VAL  68          HG22      VAL  68  -1.052   5.406  -5.764
  498   HG23  VAL  68          HG23      VAL  68  -0.401   3.780  -5.580
  499    H    ASP  69           H        ASP  69  -3.447   3.401  -9.679
  500    HA   ASP  69           HA       ASP  69  -6.025   3.726  -8.317
  501    HB2  ASP  69           HB2      ASP  69  -5.391   2.200 -10.849
  502    HB3  ASP  69           HB3      ASP  69  -6.990   2.506 -10.193
  503    H    THR  70           H        THR  70  -3.717   1.269  -9.242
  504    HA   THR  70           HA       THR  70  -5.207  -0.647  -7.623
  505    HB   THR  70           HB       THR  70  -3.862  -2.384  -8.794
  506    HG1  THR  70           HG1      THR  70  -2.860  -0.118 -10.210
  507   HG21  THR  70          HG21      THR  70  -6.071  -1.775  -9.655
  508   HG22  THR  70          HG22      THR  70  -4.978  -2.179 -10.982
  509   HG23  THR  70          HG23      THR  70  -5.347  -0.492 -10.622
  510    HA   PRO  71           HA       PRO  71  -2.186  -0.625  -4.387
  511    HB2  PRO  71           HB2      PRO  71  -2.518  -3.588  -4.412
  512    HB3  PRO  71           HB3      PRO  71  -2.667  -2.447  -3.071
  513    HG2  PRO  71           HG2      PRO  71  -4.829  -3.500  -4.172
  514    HG3  PRO  71           HG3      PRO  71  -4.800  -1.790  -3.692
  515    HD2  PRO  71           HD2      PRO  71  -4.529  -3.005  -6.406
  516    HD3  PRO  71           HD3      PRO  71  -5.409  -1.547  -5.908
  517    H    ARG  72           H        ARG  72  -1.874  -2.886  -7.072
  518    HA   ARG  72           HA       ARG  72   0.754  -3.716  -6.687
  519    HB2  ARG  72           HB2      ARG  72  -0.667  -4.752  -8.374
  520    HB3  ARG  72           HB3      ARG  72  -0.687  -3.260  -9.308
  521    HG2  ARG  72           HG2      ARG  72   1.607  -3.481  -9.881
  522    HG3  ARG  72           HG3      ARG  72   1.840  -4.780  -8.713
  523    HD2  ARG  72           HD2      ARG  72   0.058  -4.943 -11.143
  524    HD3  ARG  72           HD3      ARG  72   1.704  -5.566 -11.061
  525    HE   ARG  72           HE       ARG  72  -0.633  -6.602  -9.596
  526   HH11  ARG  72          HH11      ARG  72   2.635  -7.097 -10.885
  527   HH12  ARG  72          HH12      ARG  72   2.813  -8.665 -10.283
  528   HH21  ARG  72          HH21      ARG  72  -0.446  -8.825  -8.763
  529   HH22  ARG  72          HH22      ARG  72   0.968  -9.688  -9.078
  530    H    GLU  73           H        GLU  73  -0.456  -0.804  -8.263
  531    HA   GLU  73           HA       GLU  73   2.002   0.204  -9.181
  532    HB2  GLU  73           HB2      GLU  73  -0.522   1.619  -8.341
  533    HB3  GLU  73           HB3      GLU  73   0.804   2.365  -9.214
  534    HG2  GLU  73           HG2      GLU  73   0.387   1.034 -11.135
  535    HG3  GLU  73           HG3      GLU  73  -0.752   0.017 -10.250
  536    H    LEU  74           H        LEU  74   0.236   0.594  -6.170
  537    HA   LEU  74           HA       LEU  74   1.970   2.524  -5.002
  538    HB2  LEU  74           HB2      LEU  74  -0.425   2.109  -4.362
  539    HB3  LEU  74           HB3      LEU  74   0.054   0.590  -3.648
  540    HG   LEU  74           HG       LEU  74  -0.437   2.377  -1.998
  541   HD11  LEU  74          HD11      LEU  74   1.510   2.116  -0.557
  542   HD12  LEU  74          HD12      LEU  74   2.422   1.457  -1.914
  543   HD13  LEU  74          HD13      LEU  74   1.017   0.590  -1.292
  544   HD21  LEU  74          HD21      LEU  74   1.988   3.739  -3.149
  545   HD22  LEU  74          HD22      LEU  74   1.147   4.223  -1.677
  546   HD23  LEU  74          HD23      LEU  74   0.320   4.307  -3.232
  547    H    LEU  75           H        LEU  75   1.693  -0.990  -4.778
  548    HA   LEU  75           HA       LEU  75   3.737  -1.482  -2.949
  549    HB2  LEU  75           HB2      LEU  75   2.103  -3.168  -3.714
  550    HB3  LEU  75           HB3      LEU  75   2.896  -3.205  -5.277
  551    HG   LEU  75           HG       LEU  75   4.952  -4.036  -4.187
  552   HD11  LEU  75          HD11      LEU  75   3.224  -4.154  -1.727
  553   HD12  LEU  75          HD12      LEU  75   4.622  -3.110  -1.977
  554   HD13  LEU  75          HD13      LEU  75   4.832  -4.859  -1.885
  555   HD21  LEU  75          HD21      LEU  75   2.469  -5.667  -3.670
  556   HD22  LEU  75          HD22      LEU  75   4.115  -6.296  -3.743
  557   HD23  LEU  75          HD23      LEU  75   3.376  -5.596  -5.182
  558    H    ASP  76           H        ASP  76   3.838  -1.135  -6.467
  559    HA   ASP  76           HA       ASP  76   6.590  -1.734  -6.681
  560    HB2  ASP  76           HB2      ASP  76   5.039  -1.872  -8.614
  561    HB3  ASP  76           HB3      ASP  76   4.942  -0.111  -8.631
  562    H    LEU  77           H        LEU  77   4.869   1.220  -6.012
  563    HA   LEU  77           HA       LEU  77   7.000   3.043  -6.342
  564    HB2  LEU  77           HB2      LEU  77   4.805   3.100  -4.253
  565    HB3  LEU  77           HB3      LEU  77   5.835   4.449  -4.668
  566    HG   LEU  77           HG       LEU  77   3.810   3.167  -6.501
  567   HD11  LEU  77          HD11      LEU  77   2.546   5.237  -6.176
  568   HD12  LEU  77          HD12      LEU  77   3.747   5.784  -5.006
  569   HD13  LEU  77          HD13      LEU  77   2.764   4.362  -4.662
  570   HD21  LEU  77          HD21      LEU  77   5.504   5.638  -6.846
  571   HD22  LEU  77          HD22      LEU  77   4.251   5.086  -7.957
  572   HD23  LEU  77          HD23      LEU  77   5.707   4.117  -7.715
  573    H    ILE  78           H        ILE  78   5.945   1.114  -3.604
  574    HA   ILE  78           HA       ILE  78   7.951   1.812  -1.747
  575    HB   ILE  78           HB       ILE  78   6.554  -0.869  -2.004
  576   HG12  ILE  78          HG12      ILE  78   4.914   0.989  -1.927
  577   HG13  ILE  78          HG13      ILE  78   4.840  -0.027  -0.496
  578   HG21  ILE  78          HG21      ILE  78   6.936  -1.023   0.429
  579   HG22  ILE  78          HG22      ILE  78   7.830   0.495   0.366
  580   HG23  ILE  78          HG23      ILE  78   8.442  -0.924  -0.486
  581   HD11  ILE  78          HD11      ILE  78   6.093   1.658   0.753
  582   HD12  ILE  78          HD12      ILE  78   4.611   2.321   0.066
  583   HD13  ILE  78          HD13      ILE  78   6.167   2.670  -0.689
  584    H    ASN  79           H        ASN  79   7.647  -0.946  -3.975
  585    HA   ASN  79           HA       ASN  79  10.101  -2.189  -3.454
  586    HB2  ASN  79           HB2      ASN  79   8.369  -2.219  -5.914
  587    HB3  ASN  79           HB3      ASN  79   9.926  -3.016  -5.911
  588   HD21  ASN  79          HD21      ASN  79   7.675  -2.934  -3.154
  589   HD22  ASN  79          HD22      ASN  79   7.351  -4.641  -3.234
  590    H    GLY  80           H        GLY  80   9.329   0.216  -5.948
  591    HA2  GLY  80           HA2      GLY  80  11.850   0.397  -7.104
  592    HA3  GLY  80           HA3      GLY  80  10.640   1.672  -7.088
  593    H    ALA  81           H        ALA  81  10.516   2.052  -4.308
  594    HA   ALA  81           HA       ALA  81  12.706   3.797  -3.918
  595    HB1  ALA  81           HB1      ALA  81  10.678   2.787  -1.921
  596    HB2  ALA  81           HB2      ALA  81  10.494   4.213  -2.943
  597    HB3  ALA  81           HB3      ALA  81  11.743   4.173  -1.698
  598    H    LEU  82           H        LEU  82  11.838   0.663  -2.534
  599    HA   LEU  82           HA       LEU  82  14.155   0.457  -0.902
  600    HB2  LEU  82           HB2      LEU  82  12.096  -1.546  -1.774
  601    HB3  LEU  82           HB3      LEU  82  13.471  -2.004  -0.785
  602    HG   LEU  82           HG       LEU  82  11.459   0.105   0.021
  603   HD11  LEU  82          HD11      LEU  82  10.560  -1.577   1.539
  604   HD12  LEU  82          HD12      LEU  82  11.652  -2.783   0.862
  605   HD13  LEU  82          HD13      LEU  82  10.380  -2.083  -0.140
  606   HD21  LEU  82          HD21      LEU  82  13.661   0.338   1.041
  607   HD22  LEU  82          HD22      LEU  82  13.611  -1.348   1.554
  608   HD23  LEU  82          HD23      LEU  82  12.467  -0.186   2.230
  609    H    ALA  83           H        ALA  83  13.545  -0.269  -4.205
  610    HA   ALA  83           HA       ALA  83  15.631  -2.066  -4.704
  611    HB1  ALA  83           HB1      ALA  83  15.432  -1.412  -7.046
  612    HB2  ALA  83           HB2      ALA  83  14.504   0.012  -6.580
  613    HB3  ALA  83           HB3      ALA  83  13.837  -1.600  -6.318
  614    H    GLU  84           H        GLU  84  15.689   1.294  -4.015
  615    HA   GLU  84           HA       GLU  84  18.342   1.649  -5.080
  616    HB2  GLU  84           HB2      GLU  84  16.659   3.497  -3.384
  617    HB3  GLU  84           HB3      GLU  84  18.222   3.913  -4.080
  618    HG2  GLU  84           HG2      GLU  84  15.670   3.295  -5.537
  619    HG3  GLU  84           HG3      GLU  84  16.547   4.823  -5.488
  620    H    ALA  85           H        ALA  85  17.171   0.125  -2.449
  621    HA   ALA  85           HA       ALA  85  19.595   0.603  -0.882
  622    HB1  ALA  85           HB1      ALA  85  16.997  -0.746  -0.103
  623    HB2  ALA  85           HB2      ALA  85  17.493   0.884   0.357
  624    HB3  ALA  85           HB3      ALA  85  18.389  -0.514   0.955
  625    H    ALA  86           H        ALA  86  18.601  -1.198  -3.320
  626    HA   ALA  86           HA       ALA  86  19.476  -3.776  -2.371
  627    HB1  ALA  86           HB1      ALA  86  18.939  -4.552  -4.638
  628    HB2  ALA  86           HB2      ALA  86  18.613  -2.890  -5.128
  629    HB3  ALA  86           HB3      ALA  86  17.585  -3.673  -3.930
  630    H28  SXA  87          H28A      SXA  87  -6.033  13.547  -0.775
  631   H28A  SXA  87          H28B      SXA  87  -7.349  14.271   0.151
  632    H30  SXA  87          H30A      SXA  87  -5.503  14.938   3.185
  633   H30A  SXA  87          H30B      SXA  87  -6.593  13.591   2.848
  634   H30B  SXA  87          H30C      SXA  87  -6.986  15.212   2.275
  635    H31  SXA  87          H31A      SXA  87  -3.794  13.051   0.496
  636   H31A  SXA  87          H31B      SXA  87  -4.673  12.351   1.855
  637   H31B  SXA  87          H31C      SXA  87  -3.588  13.714   2.116
  638    H32  SXA  87          H32A      SXA  87  -5.702  16.303   0.444
  639   HO33  SXA  87          H33A      SXA  87  -3.412  15.680  -0.590
  640   HN36  SXA  87          H36A      SXA  87  -4.967  16.528   2.973
  641    H37  SXA  87          H37A      SXA  87  -2.112  17.231   3.042
  642   H37A  SXA  87          H37B      SXA  87  -3.342  18.365   3.619
  643    H38  SXA  87          H38A      SXA  87  -2.832  15.602   4.774
  644   H38A  SXA  87          H38B      SXA  87  -2.053  17.043   5.320
  645   HN41  SXA  87          H41A      SXA  87  -4.943  18.354   4.688
  646    H42  SXA  87          H42A      SXA  87  -7.004  17.699   6.074
  647   H42A  SXA  87          H42B      SXA  87  -5.894  17.940   7.422
  648    H43  SXA  87          H43A      SXA  87  -6.684  20.024   5.385
  649   H43A  SXA  87          H43B      SXA  87  -5.604  20.279   6.767
  650    H2   SXA  87           H2C      SXA  87 -10.121  18.292   8.015
  651    H2A  SXA  87           H2A      SXA  87 -11.038  18.465   6.514
  652    H2B  SXA  87           H2B      SXA  87 -10.762  19.874   7.546
  Start of MODEL    3
    1    H1   MET   1           H1       MET   1  19.948  -6.671   2.144
    2    H2   MET   1           H2       MET   1  20.404  -5.311   3.048
    3    H3   MET   1           H3       MET   1  21.299  -5.743   1.668
    4    HA   MET   1           HA       MET   1  19.898  -3.821   1.369
    5    HB2  MET   1           HB2      MET   1  18.826  -4.466  -0.700
    6    HB3  MET   1           HB3      MET   1  20.334  -5.351  -0.578
    7    HG2  MET   1           HG2      MET   1  19.178  -7.359   0.023
    8    HG3  MET   1           HG3      MET   1  17.648  -6.493   0.148
    9    HE1  MET   1           HE1      MET   1  16.335  -5.484  -1.946
   10    HE2  MET   1           HE2      MET   1  16.944  -5.552  -3.601
   11    HE3  MET   1           HE3      MET   1  17.772  -4.564  -2.396
   12    H    ALA   2           H        ALA   2  17.510  -3.335   0.724
   13    HA   ALA   2           HA       ALA   2  15.976  -3.875   3.078
   14    HB1  ALA   2           HB1      ALA   2  15.245  -2.385   0.555
   15    HB2  ALA   2           HB2      ALA   2  15.939  -1.674   2.014
   16    HB3  ALA   2           HB3      ALA   2  14.326  -2.386   2.061
   17    H    THR   3           H        THR   3  14.110  -5.044   3.206
   18    HA   THR   3           HA       THR   3  13.883  -7.194   1.360
   19    HB   THR   3           HB       THR   3  13.640  -7.643   3.724
   20    HG1  THR   3           HG1      THR   3  11.022  -8.143   3.188
   21   HG21  THR   3          HG21      THR   3  11.213  -5.828   3.708
   22   HG22  THR   3          HG22      THR   3  12.744  -5.516   4.531
   23   HG23  THR   3          HG23      THR   3  11.713  -6.849   5.058
   24    H    LEU   4           H        LEU   4  12.919  -6.923  -0.518
   25    HA   LEU   4           HA       LEU   4  11.187  -4.757  -1.119
   26    HB2  LEU   4           HB2      LEU   4  11.525  -7.263  -2.773
   27    HB3  LEU   4           HB3      LEU   4  11.057  -5.684  -3.280
   28    HG   LEU   4           HG       LEU   4  13.833  -6.258  -2.252
   29   HD11  LEU   4          HD11      LEU   4  13.449  -7.446  -4.334
   30   HD12  LEU   4          HD12      LEU   4  14.538  -6.081  -4.576
   31   HD13  LEU   4          HD13      LEU   4  12.854  -5.965  -5.082
   32   HD21  LEU   4          HD21      LEU   4  12.652  -3.871  -3.664
   33   HD22  LEU   4          HD22      LEU   4  14.348  -4.076  -3.220
   34   HD23  LEU   4          HD23      LEU   4  13.116  -3.953  -1.964
   35    H    LEU   5           H        LEU   5   8.992  -4.732  -1.182
   36    HA   LEU   5           HA       LEU   5   7.778  -6.828   0.379
   37    HB2  LEU   5           HB2      LEU   5   6.569  -4.249  -0.580
   38    HB3  LEU   5           HB3      LEU   5   5.827  -5.381   0.527
   39    HG   LEU   5           HG       LEU   5   8.187  -3.590   1.001
   40   HD11  LEU   5          HD11      LEU   5   5.541  -3.903   2.389
   41   HD12  LEU   5          HD12      LEU   5   6.002  -2.604   1.296
   42   HD13  LEU   5          HD13      LEU   5   6.820  -2.780   2.850
   43   HD21  LEU   5          HD21      LEU   5   8.412  -4.615   3.219
   44   HD22  LEU   5          HD22      LEU   5   8.759  -5.770   1.933
   45   HD23  LEU   5          HD23      LEU   5   7.212  -5.828   2.778
   46    H    THR   6           H        THR   6   6.067  -8.019  -0.133
   47    HA   THR   6           HA       THR   6   5.421  -8.183  -2.975
   48    HB   THR   6           HB       THR   6   4.741 -10.566  -2.398
   49    HG1  THR   6           HG1      THR   6   5.887  -9.774   0.083
   50   HG21  THR   6          HG21      THR   6   6.818 -10.061  -3.593
   51   HG22  THR   6          HG22      THR   6   7.051 -11.412  -2.481
   52   HG23  THR   6          HG23      THR   6   7.647  -9.807  -2.058
   53    H    THR   7           H        THR   7   3.173  -9.669  -2.946
   54    HA   THR   7           HA       THR   7   1.064  -7.966  -2.401
   55    HB   THR   7           HB       THR   7   1.037 -10.996  -2.512
   56    HG1  THR   7           HG1      THR   7   1.989 -10.368  -4.351
   57   HG21  THR   7          HG21      THR   7  -1.104 -10.032  -1.785
   58   HG22  THR   7          HG22      THR   7  -1.236 -10.719  -3.403
   59   HG23  THR   7          HG23      THR   7  -1.104  -8.971  -3.195
   60    H    ASP   8           H        ASP   8   2.189 -10.780  -0.563
   61    HA   ASP   8           HA       ASP   8   0.489 -10.804   1.597
   62    HB2  ASP   8           HB2      ASP   8   2.070 -12.580   1.072
   63    HB3  ASP   8           HB3      ASP   8   3.418 -11.523   1.460
   64    H    ASP   9           H        ASP   9   3.514  -8.983   1.247
   65    HA   ASP   9           HA       ASP   9   3.575  -7.871   3.885
   66    HB2  ASP   9           HB2      ASP   9   4.761  -6.773   1.340
   67    HB3  ASP   9           HB3      ASP   9   5.171  -6.163   2.924
   68    H    LEU  10           H        LEU  10   2.368  -6.767   0.789
   69    HA   LEU  10           HA       LEU  10   1.560  -4.215   1.677
   70    HB2  LEU  10           HB2      LEU  10   1.963  -4.769  -0.687
   71    HB3  LEU  10           HB3      LEU  10   0.550  -5.803  -0.678
   72    HG   LEU  10           HG       LEU  10  -0.866  -3.822  -0.222
   73   HD11  LEU  10          HD11      LEU  10   0.073  -1.583  -0.492
   74   HD12  LEU  10          HD12      LEU  10   1.689  -2.275  -0.618
   75   HD13  LEU  10          HD13      LEU  10   0.783  -2.423   0.886
   76   HD21  LEU  10          HD21      LEU  10   0.898  -3.605  -2.657
   77   HD22  LEU  10          HD22      LEU  10  -0.684  -2.849  -2.464
   78   HD23  LEU  10          HD23      LEU  10  -0.546  -4.607  -2.505
   79    H    ARG  11           H        ARG  11  -0.122  -7.301   1.337
   80    HA   ARG  11           HA       ARG  11  -2.721  -6.639   2.004
   81    HB2  ARG  11           HB2      ARG  11  -1.893  -8.952   1.452
   82    HB3  ARG  11           HB3      ARG  11  -1.228  -9.046   3.076
   83    HG2  ARG  11           HG2      ARG  11  -3.608  -8.606   3.900
   84    HG3  ARG  11           HG3      ARG  11  -4.115  -8.944   2.247
   85    HD2  ARG  11           HD2      ARG  11  -4.320 -10.986   3.423
   86    HD3  ARG  11           HD3      ARG  11  -2.853 -11.138   2.449
   87    HE   ARG  11           HE       ARG  11  -2.891 -10.467   5.308
   88   HH11  ARG  11          HH11      ARG  11  -1.418 -12.228   2.589
   89   HH12  ARG  11          HH12      ARG  11  -0.109 -12.808   3.513
   90   HH21  ARG  11          HH21      ARG  11  -1.140 -11.423   6.611
   91   HH22  ARG  11          HH22      ARG  11   0.037 -12.372   5.849
   92    H    ARG  12           H        ARG  12  -0.162  -7.662   4.202
   93    HA   ARG  12           HA       ARG  12  -1.474  -7.257   6.607
   94    HB2  ARG  12           HB2      ARG  12   1.426  -7.290   5.875
   95    HB3  ARG  12           HB3      ARG  12   0.944  -6.924   7.523
   96    HG2  ARG  12           HG2      ARG  12  -0.178  -9.068   7.691
   97    HG3  ARG  12           HG3      ARG  12   0.234  -9.422   6.010
   98    HD2  ARG  12           HD2      ARG  12   2.388  -8.774   7.983
   99    HD3  ARG  12           HD3      ARG  12   1.692 -10.390   7.943
  100    HE   ARG  12           HE       ARG  12   2.368 -10.439   5.557
  101   HH11  ARG  12          HH11      ARG  12   4.132  -8.179   7.667
  102   HH12  ARG  12          HH12      ARG  12   5.605  -8.409   6.839
  103   HH21  ARG  12          HH21      ARG  12   4.317 -10.740   4.541
  104   HH22  ARG  12          HH22      ARG  12   5.746  -9.898   4.985
  105    H    ALA  13           H        ALA  13   0.128  -4.911   4.624
  106    HA   ALA  13           HA       ALA  13   0.110  -2.855   6.637
  107    HB1  ALA  13           HB1      ALA  13   0.910  -1.411   4.864
  108    HB2  ALA  13           HB2      ALA  13   0.588  -2.675   3.677
  109    HB3  ALA  13           HB3      ALA  13   1.825  -2.916   4.915
  110    H    LEU  14           H        LEU  14  -1.660  -3.560   3.679
  111    HA   LEU  14           HA       LEU  14  -3.200  -1.220   3.634
  112    HB2  LEU  14           HB2      LEU  14  -2.598  -2.951   1.808
  113    HB3  LEU  14           HB3      LEU  14  -3.980  -3.841   2.401
  114    HG   LEU  14           HG       LEU  14  -5.406  -1.886   1.868
  115   HD11  LEU  14          HD11      LEU  14  -3.683  -0.162   1.994
  116   HD12  LEU  14          HD12      LEU  14  -4.511  -0.128   0.440
  117   HD13  LEU  14          HD13      LEU  14  -2.896  -0.834   0.566
  118   HD21  LEU  14          HD21      LEU  14  -5.372  -2.216  -0.553
  119   HD22  LEU  14          HD22      LEU  14  -5.198  -3.749   0.305
  120   HD23  LEU  14          HD23      LEU  14  -3.787  -2.979  -0.424
  121    H    VAL  15           H        VAL  15  -3.783  -4.466   4.926
  122    HA   VAL  15           HA       VAL  15  -6.476  -4.243   5.636
  123    HB   VAL  15           HB       VAL  15  -4.271  -5.821   7.031
  124   HG11  VAL  15          HG11      VAL  15  -6.162  -5.489   8.548
  125   HG12  VAL  15          HG12      VAL  15  -6.065  -7.170   8.021
  126   HG13  VAL  15          HG13      VAL  15  -7.267  -6.092   7.311
  127   HG21  VAL  15          HG21      VAL  15  -4.643  -6.483   4.722
  128   HG22  VAL  15          HG22      VAL  15  -6.371  -6.688   5.038
  129   HG23  VAL  15          HG23      VAL  15  -5.188  -7.735   5.832
  130    H    GLU  16           H        GLU  16  -3.675  -3.804   7.819
  131    HA   GLU  16           HA       GLU  16  -5.218  -2.898   9.987
  132    HB2  GLU  16           HB2      GLU  16  -2.287  -2.445   9.476
  133    HB3  GLU  16           HB3      GLU  16  -3.106  -2.274  11.021
  134    HG2  GLU  16           HG2      GLU  16  -3.671  -4.671  10.941
  135    HG3  GLU  16           HG3      GLU  16  -2.748  -4.812   9.447
  136    H    SER  17           H        SER  17  -3.989  -1.184   7.252
  137    HA   SER  17           HA       SER  17  -4.018   1.369   8.529
  138    HB2  SER  17           HB2      SER  17  -2.438   0.836   6.718
  139    HB3  SER  17           HB3      SER  17  -3.789   0.671   5.591
  140    HG   SER  17           HG       SER  17  -3.181   3.003   7.077
  141    H    ALA  18           H        ALA  18  -6.385  -0.555   6.815
  142    HA   ALA  18           HA       ALA  18  -8.022   1.642   6.007
  143    HB1  ALA  18           HB1      ALA  18  -8.191  -0.549   4.886
  144    HB2  ALA  18           HB2      ALA  18  -9.755  -0.039   5.531
  145    HB3  ALA  18           HB3      ALA  18  -8.820  -1.253   6.373
  146    H    GLY  19           H        GLY  19  -7.905  -0.412   8.836
  147    HA2  GLY  19           HA2      GLY  19  -8.691   0.120  10.962
  148    HA3  GLY  19           HA3      GLY  19  -9.562   1.491  10.277
  149    H    GLU  20           H        GLU  20 -11.321   0.882   8.770
  150    HA   GLU  20           HA       GLU  20 -12.945  -1.210   9.979
  151    HB2  GLU  20           HB2      GLU  20 -13.666   1.046   8.104
  152    HB3  GLU  20           HB3      GLU  20 -14.803  -0.169   8.673
  153    HG2  GLU  20           HG2      GLU  20 -13.330   1.851  10.336
  154    HG3  GLU  20           HG3      GLU  20 -15.061   1.811   9.980
  155    H    THR  21           H        THR  21 -10.967  -2.283   8.651
  156    HA   THR  21           HA       THR  21 -11.409  -2.915   5.946
  157    HB   THR  21           HB       THR  21  -9.968  -4.757   7.772
  158    HG1  THR  21           HG1      THR  21  -8.286  -2.959   7.900
  159   HG21  THR  21          HG21      THR  21  -9.718  -4.765   5.312
  160   HG22  THR  21          HG22      THR  21  -8.189  -4.412   6.122
  161   HG23  THR  21          HG23      THR  21  -9.118  -3.109   5.377
  162    H    ASP  22           H        ASP  22 -13.571  -3.577   5.874
  163    HA   ASP  22           HA       ASP  22 -14.717  -5.369   7.809
  164    HB2  ASP  22           HB2      ASP  22 -15.970  -3.482   6.995
  165    HB3  ASP  22           HB3      ASP  22 -15.848  -4.067   5.350
  166    H    GLY  23           H        GLY  23 -15.030  -5.563   4.279
  167    HA2  GLY  23           HA2      GLY  23 -14.799  -8.489   4.590
  168    HA3  GLY  23           HA3      GLY  23 -15.907  -7.707   3.458
  169    H    THR  24           H        THR  24 -12.600  -6.959   4.237
  170    HA   THR  24           HA       THR  24 -11.919  -6.701   1.521
  171    HB   THR  24           HB       THR  24  -9.677  -6.311   2.845
  172    HG1  THR  24           HG1      THR  24 -10.139  -6.766   4.916
  173   HG21  THR  24          HG21      THR  24 -12.083  -4.470   2.989
  174   HG22  THR  24          HG22      THR  24 -10.984  -4.604   1.615
  175   HG23  THR  24          HG23      THR  24 -10.398  -3.973   3.155
  176    H    ASP  25           H        ASP  25 -12.265  -9.036   0.967
  177    HA   ASP  25           HA       ASP  25 -10.287 -10.893   1.866
  178    HB2  ASP  25           HB2      ASP  25 -12.131 -10.913  -0.544
  179    HB3  ASP  25           HB3      ASP  25 -10.898 -12.147  -0.327
  180    H    LEU  26           H        LEU  26  -8.385 -10.058   1.780
  181    HA   LEU  26           HA       LEU  26  -7.407  -8.748  -0.678
  182    HB2  LEU  26           HB2      LEU  26  -7.840  -7.604   1.647
  183    HB3  LEU  26           HB3      LEU  26  -6.347  -8.389   2.097
  184    HG   LEU  26           HG       LEU  26  -5.250  -7.159   0.191
  185   HD11  LEU  26          HD11      LEU  26  -7.877  -5.676   0.209
  186   HD12  LEU  26          HD12      LEU  26  -7.268  -6.696  -1.095
  187   HD13  LEU  26          HD13      LEU  26  -6.431  -5.201  -0.682
  188   HD21  LEU  26          HD21      LEU  26  -5.042  -6.432   2.519
  189   HD22  LEU  26          HD22      LEU  26  -6.549  -5.530   2.380
  190   HD23  LEU  26          HD23      LEU  26  -5.143  -5.043   1.439
  191    H    SER  27           H        SER  27  -7.339 -11.648   0.070
  192    HA   SER  27           HA       SER  27  -4.544 -12.033   0.844
  193    HB2  SER  27           HB2      SER  27  -6.724 -14.095   0.730
  194    HB3  SER  27           HB3      SER  27  -5.201 -14.137   1.630
  195    HG   SER  27           HG       SER  27  -7.582 -13.152   2.339
  196    H    GLY  28           H        GLY  28  -3.225 -13.426  -0.382
  197    HA2  GLY  28           HA2      GLY  28  -2.624 -14.848  -2.123
  198    HA3  GLY  28           HA3      GLY  28  -4.256 -14.713  -2.771
  199    H    ASP  29           H        ASP  29  -4.809 -12.634  -3.694
  200    HA   ASP  29           HA       ASP  29  -2.702 -10.905  -4.606
  201    HB2  ASP  29           HB2      ASP  29  -2.492 -12.564  -6.368
  202    HB3  ASP  29           HB3      ASP  29  -4.239 -12.572  -6.623
  203    H    PHE  30           H        PHE  30  -3.434  -8.963  -5.043
  204    HA   PHE  30           HA       PHE  30  -6.233  -8.444  -5.583
  205    HB2  PHE  30           HB2      PHE  30  -6.521  -6.968  -3.622
  206    HB3  PHE  30           HB3      PHE  30  -6.186  -8.615  -3.124
  207    HD1  PHE  30           HD2      PHE  30  -4.054  -9.193  -2.065
  208    HD2  PHE  30           HD1      PHE  30  -4.938  -5.192  -3.183
  209    HE1  PHE  30           HE2      PHE  30  -2.198  -8.396  -0.670
  210    HE2  PHE  30           HE1      PHE  30  -3.074  -4.393  -1.794
  211    HZ   PHE  30           HZ       PHE  30  -1.755  -5.992  -0.473
  212    H    LEU  31           H        LEU  31  -3.292  -8.059  -6.483
  213    HA   LEU  31           HA       LEU  31  -2.545  -5.417  -6.145
  214    HB2  LEU  31           HB2      LEU  31  -1.722  -7.315  -8.322
  215    HB3  LEU  31           HB3      LEU  31  -0.948  -5.783  -7.973
  216    HG   LEU  31           HG       LEU  31  -1.018  -8.226  -6.208
  217   HD11  LEU  31          HD11      LEU  31   1.408  -8.165  -6.469
  218   HD12  LEU  31          HD12      LEU  31   1.252  -6.792  -7.566
  219   HD13  LEU  31          HD13      LEU  31   0.578  -8.359  -8.012
  220   HD21  LEU  31          HD21      LEU  31   0.342  -6.963  -4.617
  221   HD22  LEU  31          HD22      LEU  31  -1.246  -6.223  -4.822
  222   HD23  LEU  31          HD23      LEU  31   0.166  -5.511  -5.604
  223    H    ASP  32           H        ASP  32  -4.725  -6.720  -8.557
  224    HA   ASP  32           HA       ASP  32  -4.675  -4.072  -9.812
  225    HB2  ASP  32           HB2      ASP  32  -5.706  -5.003 -11.812
  226    HB3  ASP  32           HB3      ASP  32  -4.222  -5.853 -11.425
  227    H    LEU  33           H        LEU  33  -6.301  -5.277  -7.419
  228    HA   LEU  33           HA       LEU  33  -8.993  -4.691  -8.293
  229    HB2  LEU  33           HB2      LEU  33  -7.853  -5.179  -5.538
  230    HB3  LEU  33           HB3      LEU  33  -9.552  -4.933  -5.872
  231    HG   LEU  33           HG       LEU  33  -7.878  -7.247  -6.850
  232   HD11  LEU  33          HD11      LEU  33  -8.358  -7.336  -4.471
  233   HD12  LEU  33          HD12      LEU  33  -9.286  -8.561  -5.346
  234   HD13  LEU  33          HD13      LEU  33 -10.072  -7.078  -4.800
  235   HD21  LEU  33          HD21      LEU  33  -9.997  -8.156  -7.660
  236   HD22  LEU  33          HD22      LEU  33  -9.608  -6.632  -8.460
  237   HD23  LEU  33          HD23      LEU  33 -10.821  -6.674  -7.180
  238    H    ARG  34           H        ARG  34  -9.814  -2.710  -8.359
  239    HA   ARG  34           HA       ARG  34  -8.100  -0.495  -7.744
  240    HB2  ARG  34           HB2      ARG  34 -11.027  -0.411  -8.484
  241    HB3  ARG  34           HB3      ARG  34  -9.897   0.931  -8.537
  242    HG2  ARG  34           HG2      ARG  34  -8.631  -0.262 -10.297
  243    HG3  ARG  34           HG3      ARG  34  -9.862  -1.526 -10.274
  244    HD2  ARG  34           HD2      ARG  34 -10.348  -0.007 -12.075
  245    HD3  ARG  34           HD3      ARG  34 -11.570   0.199 -10.815
  246    HE   ARG  34           HE       ARG  34  -9.302   1.931 -10.601
  247   HH11  ARG  34          HH11      ARG  34 -12.613   1.690 -11.882
  248   HH12  ARG  34          HH12      ARG  34 -12.758   3.377 -12.129
  249   HH21  ARG  34          HH21      ARG  34  -9.563   4.129 -10.839
  250   HH22  ARG  34          HH22      ARG  34 -10.944   4.845 -11.555
  251    H    PHE  35           H        PHE  35  -8.074   0.802  -6.071
  252    HA   PHE  35           HA       PHE  35  -9.042   0.046  -3.607
  253    HB2  PHE  35           HB2      PHE  35  -8.113   2.754  -4.538
  254    HB3  PHE  35           HB3      PHE  35  -8.531   2.411  -2.863
  255    HD1  PHE  35           HD2      PHE  35  -7.267   0.509  -1.710
  256    HD2  PHE  35           HD1      PHE  35  -5.971   2.311  -5.327
  257    HE1  PHE  35           HE2      PHE  35  -4.995  -0.317  -1.302
  258    HE2  PHE  35           HE1      PHE  35  -3.695   1.483  -4.924
  259    HZ   PHE  35           HZ       PHE  35  -3.203   0.172  -2.906
  260    H    GLU  36           H        GLU  36 -10.525   2.279  -5.871
  261    HA   GLU  36           HA       GLU  36 -12.571   3.170  -4.251
  262    HB2  GLU  36           HB2      GLU  36 -13.807   3.759  -6.347
  263    HB3  GLU  36           HB3      GLU  36 -12.142   4.295  -6.262
  264    HG2  GLU  36           HG2      GLU  36 -12.484   3.629  -8.490
  265    HG3  GLU  36           HG3      GLU  36 -11.539   2.350  -7.749
  266    H    ASP  37           H        ASP  37 -12.338   0.160  -5.831
  267    HA   ASP  37           HA       ASP  37 -15.107  -0.587  -5.395
  268    HB2  ASP  37           HB2      ASP  37 -13.889  -1.540  -7.296
  269    HB3  ASP  37           HB3      ASP  37 -12.715  -2.260  -6.205
  270    H    ILE  38           H        ILE  38 -12.013  -1.090  -3.847
  271    HA   ILE  38           HA       ILE  38 -13.195  -3.022  -2.031
  272    HB   ILE  38           HB       ILE  38 -10.892  -3.410  -1.166
  273   HG12  ILE  38          HG12      ILE  38 -10.079  -1.491  -3.371
  274   HG13  ILE  38          HG13      ILE  38  -9.980  -1.160  -1.650
  275   HG21  ILE  38          HG21      ILE  38 -10.058  -4.542  -3.193
  276   HG22  ILE  38          HG22      ILE  38 -11.230  -3.639  -4.157
  277   HG23  ILE  38          HG23      ILE  38 -11.790  -4.794  -2.951
  278   HD11  ILE  38          HD11      ILE  38  -7.814  -1.712  -2.551
  279   HD12  ILE  38          HD12      ILE  38  -8.424  -3.256  -3.150
  280   HD13  ILE  38          HD13      ILE  38  -8.330  -2.954  -1.411
  281    H    GLY  39           H        GLY  39 -13.528  -0.010  -1.966
  282    HA2  GLY  39           HA2      GLY  39 -14.383   1.282  -0.221
  283    HA3  GLY  39           HA3      GLY  39 -13.883   0.029   0.894
  284    H    TYR  40           H        TYR  40 -11.443   1.250  -1.199
  285    HA   TYR  40           HA       TYR  40 -10.337   2.581   1.137
  286    HB2  TYR  40           HB2      TYR  40  -8.962   1.435  -1.285
  287    HB3  TYR  40           HB3      TYR  40  -8.181   2.575  -0.227
  288    HD1  TYR  40           HD1      TYR  40 -10.161  -0.554   0.079
  289    HD2  TYR  40           HD2      TYR  40  -6.823   1.701   1.405
  290    HE1  TYR  40           HE1      TYR  40  -9.549  -2.380   1.567
  291    HE2  TYR  40           HE2      TYR  40  -6.170  -0.121   2.909
  292    HH   TYR  40           HH       TYR  40  -7.670  -3.227   2.788
  293    H    ASP  41           H        ASP  41  -9.945   4.566   1.249
  294    HA   ASP  41           HA       ASP  41 -10.290   6.259  -1.133
  295    HB2  ASP  41           HB2      ASP  41 -10.185   6.976   1.801
  296    HB3  ASP  41           HB3      ASP  41 -10.237   8.137   0.485
  297    H    SER  42           H        SER  42  -8.590   7.663  -1.697
  298    HA   SER  42           HA       SER  42  -6.067   6.706  -1.345
  299    HB2  SER  42           HB2      SER  42  -5.584   9.261  -2.106
  300    HB3  SER  42           HB3      SER  42  -6.066   7.958  -3.198
  301    H    LEU  43           H        LEU  43  -7.694   8.989   0.726
  302    HA   LEU  43           HA       LEU  43  -5.426   9.838   2.189
  303    HB2  LEU  43           HB2      LEU  43  -8.241   9.405   3.180
  304    HB3  LEU  43           HB3      LEU  43  -6.992  10.268   4.052
  305    HG   LEU  43           HG       LEU  43  -8.190  11.111   1.418
  306   HD11  LEU  43          HD11      LEU  43  -9.204  12.902   2.732
  307   HD12  LEU  43          HD12      LEU  43  -8.542  12.195   4.205
  308   HD13  LEU  43          HD13      LEU  43  -9.750  11.316   3.268
  309   HD21  LEU  43          HD21      LEU  43  -6.943  13.190   1.788
  310   HD22  LEU  43          HD22      LEU  43  -5.862  11.804   1.638
  311   HD23  LEU  43          HD23      LEU  43  -6.205  12.487   3.227
  312    H    ALA  44           H        ALA  44  -7.571   7.060   2.779
  313    HA   ALA  44           HA       ALA  44  -6.091   6.082   5.001
  314    HB1  ALA  44           HB1      ALA  44  -7.360   4.002   4.678
  315    HB2  ALA  44           HB2      ALA  44  -7.926   4.590   3.116
  316    HB3  ALA  44           HB3      ALA  44  -8.420   5.411   4.598
  317    H    LEU  45           H        LEU  45  -5.984   5.653   1.603
  318    HA   LEU  45           HA       LEU  45  -4.157   3.533   1.366
  319    HB2  LEU  45           HB2      LEU  45  -5.757   4.558  -0.254
  320    HB3  LEU  45           HB3      LEU  45  -4.676   5.876  -0.507
  321    HG   LEU  45           HG       LEU  45  -4.403   2.983  -1.308
  322   HD11  LEU  45          HD11      LEU  45  -4.320   3.932  -3.545
  323   HD12  LEU  45          HD12      LEU  45  -4.537   5.545  -2.852
  324   HD13  LEU  45          HD13      LEU  45  -5.800   4.321  -2.670
  325   HD21  LEU  45          HD21      LEU  45  -2.183   3.734  -0.601
  326   HD22  LEU  45          HD22      LEU  45  -2.317   5.134  -1.675
  327   HD23  LEU  45          HD23      LEU  45  -2.268   3.496  -2.347
  328    H    MET  46           H        MET  46  -3.739   7.062   1.519
  329    HA   MET  46           HA       MET  46  -0.945   7.268   1.301
  330    HB2  MET  46           HB2      MET  46  -3.000   8.956   2.703
  331    HB3  MET  46           HB3      MET  46  -1.294   9.369   2.728
  332    HG2  MET  46           HG2      MET  46  -1.234   9.716   0.439
  333    HG3  MET  46           HG3      MET  46  -2.786   8.926   0.182
  334    HE1  MET  46           HE1      MET  46  -2.475  12.951   2.457
  335    HE2  MET  46           HE2      MET  46  -1.057  12.044   1.935
  336    HE3  MET  46           HE3      MET  46  -2.127  11.375   3.165
  337    H    GLU  47           H        GLU  47  -3.027   6.746   4.024
  338    HA   GLU  47           HA       GLU  47  -1.164   6.859   6.128
  339    HB2  GLU  47           HB2      GLU  47  -3.787   6.680   5.964
  340    HB3  GLU  47           HB3      GLU  47  -3.486   4.974   6.077
  341    HG2  GLU  47           HG2      GLU  47  -2.613   6.966   8.166
  342    HG3  GLU  47           HG3      GLU  47  -4.071   5.988   8.251
  343    H    THR  48           H        THR  48  -2.251   4.246   4.038
  344    HA   THR  48           HA       THR  48  -0.845   2.071   5.076
  345    HB   THR  48           HB       THR  48  -1.570   2.742   2.217
  346    HG1  THR  48           HG1      THR  48  -3.129   2.309   4.306
  347   HG21  THR  48          HG21      THR  48  -1.646   0.290   1.908
  348   HG22  THR  48          HG22      THR  48  -0.948   0.081   3.517
  349   HG23  THR  48          HG23      THR  48  -0.022   0.901   2.239
  350    H    ALA  49           H        ALA  49  -0.031   4.260   2.409
  351    HA   ALA  49           HA       ALA  49   2.510   3.299   1.803
  352    HB1  ALA  49           HB1      ALA  49   2.857   5.413   0.653
  353    HB2  ALA  49           HB2      ALA  49   1.490   6.121   1.517
  354    HB3  ALA  49           HB3      ALA  49   1.222   4.812   0.365
  355    H    ALA  50           H        ALA  50   1.607   6.051   3.878
  356    HA   ALA  50           HA       ALA  50   4.183   6.814   4.624
  357    HB1  ALA  50           HB1      ALA  50   1.617   7.179   6.159
  358    HB2  ALA  50           HB2      ALA  50   2.200   8.226   4.864
  359    HB3  ALA  50           HB3      ALA  50   3.103   8.106   6.374
  360    H    ARG  51           H        ARG  51   2.059   4.405   5.962
  361    HA   ARG  51           HA       ARG  51   3.457   3.893   8.346
  362    HB2  ARG  51           HB2      ARG  51   1.159   3.105   7.868
  363    HB3  ARG  51           HB3      ARG  51   1.802   2.001   6.664
  364    HG2  ARG  51           HG2      ARG  51   2.998   0.785   8.395
  365    HG3  ARG  51           HG3      ARG  51   2.419   1.926   9.611
  366    HD2  ARG  51           HD2      ARG  51   0.722   0.091   7.922
  367    HD3  ARG  51           HD3      ARG  51   1.094  -0.116   9.631
  368    HE   ARG  51           HE       ARG  51  -0.365   2.250   8.668
  369   HH11  ARG  51          HH11      ARG  51  -0.200  -0.570  10.842
  370   HH12  ARG  51          HH12      ARG  51  -1.638  -0.176  11.655
  371   HH21  ARG  51          HH21      ARG  51  -2.327   2.731   9.746
  372   HH22  ARG  51          HH22      ARG  51  -2.893   1.782  11.037
  373    H    LEU  52           H        LEU  52   3.598   2.360   5.143
  374    HA   LEU  52           HA       LEU  52   5.703   0.593   5.849
  375    HB2  LEU  52           HB2      LEU  52   4.917   1.428   3.023
  376    HB3  LEU  52           HB3      LEU  52   5.870   0.020   3.490
  377    HG   LEU  52           HG       LEU  52   2.993   0.401   4.214
  378   HD11  LEU  52          HD11      LEU  52   2.608  -1.375   2.580
  379   HD12  LEU  52          HD12      LEU  52   4.321  -1.363   2.161
  380   HD13  LEU  52          HD13      LEU  52   3.318   0.044   1.809
  381   HD21  LEU  52          HD21      LEU  52   4.900  -1.907   4.561
  382   HD22  LEU  52          HD22      LEU  52   3.174  -1.931   4.934
  383   HD23  LEU  52          HD23      LEU  52   4.262  -0.884   5.849
  384    H    GLU  53           H        GLU  53   5.637   3.856   4.611
  385    HA   GLU  53           HA       GLU  53   8.304   4.180   3.857
  386    HB2  GLU  53           HB2      GLU  53   6.528   6.143   5.284
  387    HB3  GLU  53           HB3      GLU  53   8.083   6.559   4.588
  388    HG2  GLU  53           HG2      GLU  53   7.167   5.914   2.369
  389    HG3  GLU  53           HG3      GLU  53   5.596   5.692   3.144
  390    H    SER  54           H        SER  54   6.824   4.732   6.988
  391    HA   SER  54           HA       SER  54   9.136   5.406   8.397
  392    HB2  SER  54           HB2      SER  54   6.651   4.093   9.497
  393    HB3  SER  54           HB3      SER  54   7.788   5.132  10.359
  394    HG   SER  54           HG       SER  54   5.786   5.770   8.544
  395    H    ARG  55           H        ARG  55   7.439   2.318   8.057
  396    HA   ARG  55           HA       ARG  55   9.140   0.933   9.824
  397    HB2  ARG  55           HB2      ARG  55   6.860   0.195   9.396
  398    HB3  ARG  55           HB3      ARG  55   7.292  -0.208   7.738
  399    HG2  ARG  55           HG2      ARG  55   8.832  -1.899   8.519
  400    HG3  ARG  55           HG3      ARG  55   8.491  -1.467  10.195
  401    HD2  ARG  55           HD2      ARG  55   6.145  -2.114   9.856
  402    HD3  ARG  55           HD3      ARG  55   6.530  -2.589   8.200
  403    HE   ARG  55           HE       ARG  55   8.212  -3.855  10.119
  404   HH11  ARG  55          HH11      ARG  55   4.968  -4.089   8.687
  405   HH12  ARG  55          HH12      ARG  55   4.879  -5.776   8.869
  406   HH21  ARG  55          HH21      ARG  55   8.077  -6.094  10.385
  407   HH22  ARG  55          HH22      ARG  55   6.686  -6.966   9.873
  408    H    TYR  56           H        TYR  56   9.112   0.956   6.236
  409    HA   TYR  56           HA       TYR  56  11.401  -0.852   6.357
  410    HB2  TYR  56           HB2      TYR  56   9.629  -0.125   4.038
  411    HB3  TYR  56           HB3      TYR  56  10.993  -1.229   3.940
  412    HD1  TYR  56           HD2      TYR  56  10.919  -3.376   5.235
  413    HD2  TYR  56           HD1      TYR  56   7.538  -0.827   4.891
  414    HE1  TYR  56           HE2      TYR  56   9.460  -5.226   5.940
  415    HE2  TYR  56           HE1      TYR  56   6.072  -2.659   5.592
  416    HH   TYR  56           HH       TYR  56   6.016  -5.050   5.720
  417    H    GLY  57           H        GLY  57  10.807   2.458   5.746
  418    HA2  GLY  57           HA2      GLY  57  12.510   4.041   5.480
  419    HA3  GLY  57           HA3      GLY  57  13.604   2.746   5.001
  420    H    VAL  58           H        VAL  58  10.545   4.094   3.857
  421    HA   VAL  58           HA       VAL  58  11.753   4.354   1.213
  422    HB   VAL  58           HB       VAL  58   9.767   3.647   0.027
  423   HG11  VAL  58          HG11      VAL  58  11.268   1.871   0.574
  424   HG12  VAL  58          HG12      VAL  58   9.595   1.297   0.600
  425   HG13  VAL  58          HG13      VAL  58  10.438   1.626   2.113
  426   HG21  VAL  58          HG21      VAL  58   8.457   3.151   2.695
  427   HG22  VAL  58          HG22      VAL  58   7.776   2.728   1.123
  428   HG23  VAL  58          HG23      VAL  58   8.039   4.420   1.545
  429    H    SER  59           H        SER  59  10.132   5.781  -0.220
  430    HA   SER  59           HA       SER  59   8.911   7.773   1.449
  431    HB2  SER  59           HB2      SER  59  10.044   9.533  -0.020
  432    HB3  SER  59           HB3      SER  59  11.067   8.725   1.169
  433    HG   SER  59           HG       SER  59  11.800   8.995  -1.097
  434    H    ILE  60           H        ILE  60   6.942   7.891   0.799
  435    HA   ILE  60           HA       ILE  60   6.310   7.588  -2.067
  436    HB   ILE  60           HB       ILE  60   4.465   6.917   0.250
  437   HG12  ILE  60          HG12      ILE  60   6.275   5.267   0.242
  438   HG13  ILE  60          HG13      ILE  60   4.777   4.527  -0.309
  439   HG21  ILE  60          HG21      ILE  60   3.294   7.574  -1.756
  440   HG22  ILE  60          HG22      ILE  60   3.065   5.851  -1.464
  441   HG23  ILE  60          HG23      ILE  60   4.195   6.392  -2.705
  442   HD11  ILE  60          HD11      ILE  60   6.681   3.770  -1.614
  443   HD12  ILE  60          HD12      ILE  60   7.061   5.438  -2.053
  444   HD13  ILE  60          HD13      ILE  60   5.567   4.693  -2.623
  445    HA   PRO  61           HA       PRO  61   5.117  11.884  -1.144
  446    HB2  PRO  61           HB2      PRO  61   4.345  11.728  -4.009
  447    HB3  PRO  61           HB3      PRO  61   5.370  12.912  -3.191
  448    HG2  PRO  61           HG2      PRO  61   6.424  11.073  -4.804
  449    HG3  PRO  61           HG3      PRO  61   7.250  11.568  -3.316
  450    HD2  PRO  61           HD2      PRO  61   5.662   9.098  -3.873
  451    HD3  PRO  61           HD3      PRO  61   7.160   9.292  -2.936
  452    H    ASP  62           H        ASP  62   3.163  12.570  -0.518
  453    HA   ASP  62           HA       ASP  62   0.943  10.879  -0.428
  454    HB2  ASP  62           HB2      ASP  62  -0.295  12.685   0.573
  455    HB3  ASP  62           HB3      ASP  62   1.342  12.715   1.197
  456    H    ASP  63           H        ASP  63   1.870  13.165  -2.827
  457    HA   ASP  63           HA       ASP  63  -0.632  13.439  -4.168
  458    HB2  ASP  63           HB2      ASP  63   1.154  15.022  -4.591
  459    HB3  ASP  63           HB3      ASP  63   2.232  13.737  -5.109
  460    H    VAL  64           H        VAL  64   2.094  11.287  -4.483
  461    HA   VAL  64           HA       VAL  64   1.055   9.815  -6.735
  462    HB   VAL  64           HB       VAL  64   3.229   9.040  -4.785
  463   HG11  VAL  64          HG11      VAL  64   2.665   8.118  -7.612
  464   HG12  VAL  64          HG12      VAL  64   2.412   7.183  -6.137
  465   HG13  VAL  64          HG13      VAL  64   4.046   7.618  -6.631
  466   HG21  VAL  64          HG21      VAL  64   3.473  10.531  -7.401
  467   HG22  VAL  64          HG22      VAL  64   4.823   9.935  -6.434
  468   HG23  VAL  64          HG23      VAL  64   3.764  11.185  -5.790
  469    H    ALA  65           H        ALA  65   1.227   9.377  -3.260
  470    HA   ALA  65           HA       ALA  65   0.073   6.836  -3.099
  471    HB1  ALA  65           HB1      ALA  65   1.184   7.904  -1.219
  472    HB2  ALA  65           HB2      ALA  65  -0.453   7.418  -0.770
  473    HB3  ALA  65           HB3      ALA  65  -0.096   9.110  -1.137
  474    H    GLY  66           H        GLY  66  -1.398   9.891  -3.815
  475    HA2  GLY  66           HA2      GLY  66  -4.076   8.772  -3.446
  476    HA3  GLY  66           HA3      GLY  66  -3.697  10.457  -3.779
  477    H    ARG  67           H        ARG  67  -1.785   8.780  -5.763
  478    HA   ARG  67           HA       ARG  67  -3.544   9.183  -8.079
  479    HB2  ARG  67           HB2      ARG  67  -1.422  10.338  -8.140
  480    HB3  ARG  67           HB3      ARG  67  -0.556   8.855  -7.794
  481    HG2  ARG  67           HG2      ARG  67  -1.245   7.964  -9.970
  482    HG3  ARG  67           HG3      ARG  67  -2.082   9.481 -10.309
  483    HD2  ARG  67           HD2      ARG  67  -0.018  10.698 -10.240
  484    HD3  ARG  67           HD3      ARG  67   0.858   9.273  -9.678
  485    HE   ARG  67           HE       ARG  67  -0.106   8.379 -11.952
  486   HH11  ARG  67          HH11      ARG  67   1.509  11.498 -11.282
  487   HH12  ARG  67          HH12      ARG  67   2.137  11.646 -12.865
  488   HH21  ARG  67          HH21      ARG  67   0.894   8.559 -14.079
  489   HH22  ARG  67          HH22      ARG  67   1.819   9.943 -14.452
  490    H    VAL  68           H        VAL  68  -1.896   6.779  -6.269
  491    HA   VAL  68           HA       VAL  68  -1.953   4.767  -8.282
  492    HB   VAL  68           HB       VAL  68  -1.254   3.236  -6.358
  493   HG11  VAL  68          HG11      VAL  68   0.341   5.753  -6.801
  494   HG12  VAL  68          HG12      VAL  68   0.363   4.322  -7.831
  495   HG13  VAL  68          HG13      VAL  68   0.979   4.233  -6.178
  496   HG21  VAL  68          HG21      VAL  68  -2.279   4.527  -4.522
  497   HG22  VAL  68          HG22      VAL  68  -1.159   5.853  -4.858
  498   HG23  VAL  68          HG23      VAL  68  -0.543   4.307  -4.277
  499    H    ASP  69           H        ASP  69  -3.699   3.982  -8.953
  500    HA   ASP  69           HA       ASP  69  -6.145   4.001  -7.379
  501    HB2  ASP  69           HB2      ASP  69  -6.210   4.878  -9.633
  502    HB3  ASP  69           HB3      ASP  69  -5.534   3.391 -10.261
  503    H    THR  70           H        THR  70  -3.808   1.828  -8.660
  504    HA   THR  70           HA       THR  70  -5.323  -0.397  -7.519
  505    HB   THR  70           HB       THR  70  -4.051  -1.871  -9.140
  506    HG1  THR  70           HG1      THR  70  -3.187   0.691  -9.999
  507   HG21  THR  70          HG21      THR  70  -6.372  -1.236  -9.576
  508   HG22  THR  70          HG22      THR  70  -5.462  -1.275 -11.086
  509   HG23  THR  70          HG23      THR  70  -5.830   0.270 -10.312
  510    HA   PRO  71           HA       PRO  71  -2.256  -0.929  -4.381
  511    HB2  PRO  71           HB2      PRO  71  -2.602  -3.831  -4.976
  512    HB3  PRO  71           HB3      PRO  71  -2.679  -2.984  -3.426
  513    HG2  PRO  71           HG2      PRO  71  -4.902  -3.758  -4.603
  514    HG3  PRO  71           HG3      PRO  71  -4.813  -2.156  -3.841
  515    HD2  PRO  71           HD2      PRO  71  -4.683  -2.896  -6.731
  516    HD3  PRO  71           HD3      PRO  71  -5.496  -1.521  -5.958
  517    H    ARG  72           H        ARG  72  -1.940  -2.848  -7.293
  518    HA   ARG  72           HA       ARG  72   0.674  -3.730  -7.154
  519    HB2  ARG  72           HB2      ARG  72  -0.887  -4.379  -8.901
  520    HB3  ARG  72           HB3      ARG  72  -0.868  -2.751  -9.551
  521    HG2  ARG  72           HG2      ARG  72   1.428  -3.005 -10.232
  522    HG3  ARG  72           HG3      ARG  72   1.507  -4.599  -9.471
  523    HD2  ARG  72           HD2      ARG  72   1.144  -4.723 -11.911
  524    HD3  ARG  72           HD3      ARG  72  -0.166  -5.452 -10.982
  525    HE   ARG  72           HE       ARG  72  -0.519  -2.688 -11.764
  526   HH11  ARG  72          HH11      ARG  72  -1.240  -6.095 -12.475
  527   HH12  ARG  72          HH12      ARG  72  -2.515  -5.766 -13.542
  528   HH21  ARG  72          HH21      ARG  72  -2.403  -2.237 -13.172
  529   HH22  ARG  72          HH22      ARG  72  -3.154  -3.535 -13.977
  530    H    GLU  73           H        GLU  73  -0.538  -0.571  -8.187
  531    HA   GLU  73           HA       GLU  73   1.898   0.509  -9.097
  532    HB2  GLU  73           HB2      GLU  73  -0.531   1.888  -7.967
  533    HB3  GLU  73           HB3      GLU  73   0.761   2.670  -8.855
  534    HG2  GLU  73           HG2      GLU  73   0.185   1.439 -10.842
  535    HG3  GLU  73           HG3      GLU  73  -1.045   0.540  -9.949
  536    H    LEU  74           H        LEU  74   0.249   0.566  -5.997
  537    HA   LEU  74           HA       LEU  74   2.057   2.347  -4.720
  538    HB2  LEU  74           HB2      LEU  74  -0.358   1.865  -4.053
  539    HB3  LEU  74           HB3      LEU  74   0.194   0.333  -3.429
  540    HG   LEU  74           HG       LEU  74  -0.259   2.104  -1.705
  541   HD11  LEU  74          HD11      LEU  74   2.562   1.063  -1.745
  542   HD12  LEU  74          HD12      LEU  74   1.144   0.217  -1.127
  543   HD13  LEU  74          HD13      LEU  74   1.707   1.690  -0.334
  544   HD21  LEU  74          HD21      LEU  74   2.204   3.382  -2.871
  545   HD22  LEU  74          HD22      LEU  74   1.418   3.853  -1.366
  546   HD23  LEU  74          HD23      LEU  74   0.565   4.036  -2.897
  547    H    LEU  75           H        LEU  75   1.682  -1.171  -4.728
  548    HA   LEU  75           HA       LEU  75   3.787  -1.841  -3.017
  549    HB2  LEU  75           HB2      LEU  75   2.049  -3.406  -3.844
  550    HB3  LEU  75           HB3      LEU  75   2.808  -3.384  -5.422
  551    HG   LEU  75           HG       LEU  75   4.840  -4.381  -4.441
  552   HD11  LEU  75          HD11      LEU  75   4.606  -3.545  -2.173
  553   HD12  LEU  75          HD12      LEU  75   4.742  -5.303  -2.178
  554   HD13  LEU  75          HD13      LEU  75   3.171  -4.542  -1.938
  555   HD21  LEU  75          HD21      LEU  75   3.153  -5.805  -5.456
  556   HD22  LEU  75          HD22      LEU  75   2.285  -5.891  -3.927
  557   HD23  LEU  75          HD23      LEU  75   3.891  -6.611  -4.071
  558    H    ASP  76           H        ASP  76   3.743  -1.262  -6.477
  559    HA   ASP  76           HA       ASP  76   6.431  -1.863  -7.045
  560    HB2  ASP  76           HB2      ASP  76   4.817  -1.716  -8.827
  561    HB3  ASP  76           HB3      ASP  76   4.467  -0.038  -8.438
  562    H    LEU  77           H        LEU  77   4.867   1.119  -6.002
  563    HA   LEU  77           HA       LEU  77   7.049   2.901  -6.240
  564    HB2  LEU  77           HB2      LEU  77   4.871   2.879  -4.156
  565    HB3  LEU  77           HB3      LEU  77   5.933   4.220  -4.501
  566    HG   LEU  77           HG       LEU  77   3.873   3.098  -6.383
  567   HD11  LEU  77          HD11      LEU  77   2.649   5.158  -5.857
  568   HD12  LEU  77          HD12      LEU  77   3.881   5.578  -4.669
  569   HD13  LEU  77          HD13      LEU  77   2.880   4.151  -4.432
  570   HD21  LEU  77          HD21      LEU  77   4.328   5.118  -7.693
  571   HD22  LEU  77          HD22      LEU  77   5.777   4.121  -7.540
  572   HD23  LEU  77          HD23      LEU  77   5.595   5.573  -6.553
  573    H    ILE  78           H        ILE  78   5.856   0.998  -3.527
  574    HA   ILE  78           HA       ILE  78   7.764   1.601  -1.585
  575    HB   ILE  78           HB       ILE  78   6.416  -1.092  -2.028
  576   HG12  ILE  78          HG12      ILE  78   4.755   0.723  -1.866
  577   HG13  ILE  78          HG13      ILE  78   4.689  -0.343  -0.469
  578   HG21  ILE  78          HG21      ILE  78   6.740  -1.414   0.379
  579   HG22  ILE  78          HG22      ILE  78   7.617   0.111   0.457
  580   HG23  ILE  78          HG23      ILE  78   8.270  -1.234  -0.479
  581   HD11  ILE  78          HD11      ILE  78   4.429   1.985   0.173
  582   HD12  ILE  78          HD12      ILE  78   5.983   2.375  -0.566
  583   HD13  ILE  78          HD13      ILE  78   5.918   1.316   0.843
  584    H    ASN  79           H        ASN  79   7.650  -1.160  -3.807
  585    HA   ASN  79           HA       ASN  79  10.147  -2.261  -3.292
  586    HB2  ASN  79           HB2      ASN  79   8.305  -2.380  -5.619
  587    HB3  ASN  79           HB3      ASN  79   9.952  -2.946  -5.849
  588   HD21  ASN  79          HD21      ASN  79   6.971  -3.478  -4.177
  589   HD22  ASN  79          HD22      ASN  79   7.342  -5.092  -3.670
  590    H    GLY  80           H        GLY  80   9.305   0.345  -5.493
  591    HA2  GLY  80           HA2      GLY  80  11.766   0.573  -6.792
  592    HA3  GLY  80           HA3      GLY  80  10.585   1.862  -6.587
  593    H    ALA  81           H        ALA  81  10.523   2.230  -3.940
  594    HA   ALA  81           HA       ALA  81  12.918   3.699  -3.488
  595    HB1  ALA  81           HB1      ALA  81  11.910   4.334  -1.362
  596    HB2  ALA  81           HB2      ALA  81  10.676   3.090  -1.561
  597    HB3  ALA  81           HB3      ALA  81  10.732   4.460  -2.669
  598    H    LEU  82           H        LEU  82  11.695   0.625  -2.350
  599    HA   LEU  82           HA       LEU  82  13.700   0.115  -0.408
  600    HB2  LEU  82           HB2      LEU  82  11.960  -1.748  -2.010
  601    HB3  LEU  82           HB3      LEU  82  13.073  -2.298  -0.779
  602    HG   LEU  82           HG       LEU  82  10.780  -0.418  -0.250
  603   HD11  LEU  82          HD11      LEU  82  11.011  -3.390   0.187
  604   HD12  LEU  82          HD12      LEU  82   9.980  -2.593  -1.001
  605   HD13  LEU  82          HD13      LEU  82   9.682  -2.364   0.723
  606   HD21  LEU  82          HD21      LEU  82  12.575  -2.002   1.583
  607   HD22  LEU  82          HD22      LEU  82  11.206  -1.006   2.083
  608   HD23  LEU  82          HD23      LEU  82  12.620  -0.255   1.342
  609    H    ALA  83           H        ALA  83  13.465  -0.515  -3.851
  610    HA   ALA  83           HA       ALA  83  15.827  -2.010  -4.143
  611    HB1  ALA  83           HB1      ALA  83  15.645  -1.521  -6.519
  612    HB2  ALA  83           HB2      ALA  83  14.471  -0.249  -6.183
  613    HB3  ALA  83           HB3      ALA  83  14.067  -1.931  -5.850
  614    H    GLU  84           H        GLU  84  15.365   1.230  -3.388
  615    HA   GLU  84           HA       GLU  84  16.568   3.091  -3.270
  616    HB2  GLU  84           HB2      GLU  84  18.857   2.854  -2.315
  617    HB3  GLU  84           HB3      GLU  84  17.686   1.825  -1.521
  618    HG2  GLU  84           HG2      GLU  84  18.554  -0.072  -2.910
  619    HG3  GLU  84           HG3      GLU  84  19.825   1.012  -3.471
  620    H    ALA  85           H        ALA  85  16.196   2.229  -5.842
  621    HA   ALA  85           HA       ALA  85  18.200   3.775  -7.242
  622    HB1  ALA  85           HB1      ALA  85  18.637   2.021  -8.913
  623    HB2  ALA  85           HB2      ALA  85  17.662   0.888  -7.976
  624    HB3  ALA  85           HB3      ALA  85  19.164   1.521  -7.305
  625    H    ALA  86           H        ALA  86  15.496   1.521  -7.636
  626    HA   ALA  86           HA       ALA  86  13.561   1.539  -8.697
  627    HB1  ALA  86           HB1      ALA  86  13.729   4.552  -8.489
  628    HB2  ALA  86           HB2      ALA  86  13.096   3.481  -7.241
  629    HB3  ALA  86           HB3      ALA  86  12.268   3.608  -8.795
  630    H28  SXA  87          H28A      SXA  87 -10.045   9.445  -3.367
  631   H28A  SXA  87          H28B      SXA  87 -10.688  10.106  -1.869
  632    H30  SXA  87          H30A      SXA  87 -10.565  12.970  -3.079
  633   H30A  SXA  87          H30B      SXA  87 -11.849  12.406  -2.009
  634   H30B  SXA  87          H30C      SXA  87 -12.243  13.050  -3.606
  635    H31  SXA  87          H31A      SXA  87 -10.069  11.724  -5.197
  636   H31A  SXA  87          H31B      SXA  87 -11.769  11.691  -5.665
  637   H31B  SXA  87          H31C      SXA  87 -10.867  10.182  -5.512
  638    H32  SXA  87          H32A      SXA  87 -13.004  10.108  -2.462
  639   HO33  SXA  87          H33A      SXA  87 -13.189   8.883  -4.765
  640   HN36  SXA  87          H36A      SXA  87 -13.758  12.542  -3.382
  641    H37  SXA  87          H37A      SXA  87 -15.667  12.272  -5.577
  642   H37A  SXA  87          H37B      SXA  87 -16.312  12.640  -3.973
  643    H38  SXA  87          H38A      SXA  87 -14.272  14.301  -5.480
  644   H38A  SXA  87          H38B      SXA  87 -15.991  14.630  -5.414
  645   HN41  SXA  87          H41A      SXA  87 -13.994  16.407  -4.663
  646    H42  SXA  87          H42A      SXA  87 -14.824  17.814  -2.600
  647   H42A  SXA  87          H42B      SXA  87 -13.890  16.573  -1.766
  648    H43  SXA  87          H43A      SXA  87 -11.905  17.195  -3.062
  649   H43A  SXA  87          H43B      SXA  87 -12.557  18.601  -2.197
  650    H2   SXA  87           H2C      SXA  87 -10.781  21.244  -5.462
  651    H2A  SXA  87           H2A      SXA  87 -11.986  20.321  -6.368
  652    H2B  SXA  87           H2B      SXA  87 -10.286  19.832  -6.406
  Start of MODEL    4
    1    H1   MET   1           H1       MET   1  20.099  -8.590  -4.352
    2    H2   MET   1           H2       MET   1  21.620  -8.461  -3.581
    3    H3   MET   1           H3       MET   1  20.604  -7.114  -3.770
    4    HA   MET   1           HA       MET   1  19.803  -9.476  -2.256
    5    HB2  MET   1           HB2      MET   1  21.750  -8.459  -1.140
    6    HB3  MET   1           HB3      MET   1  20.980  -6.883  -1.204
    7    HG2  MET   1           HG2      MET   1  20.822  -7.833   1.018
    8    HG3  MET   1           HG3      MET   1  19.223  -7.681   0.288
    9    HE1  MET   1           HE1      MET   1  19.780  -9.441   2.857
   10    HE2  MET   1           HE2      MET   1  18.849 -10.888   2.473
   11    HE3  MET   1           HE3      MET   1  18.198  -9.293   2.096
   12    H    ALA   2           H        ALA   2  19.354  -5.972  -1.691
   13    HA   ALA   2           HA       ALA   2  17.622  -4.660  -1.575
   14    HB1  ALA   2           HB1      ALA   2  17.342  -5.137  -3.986
   15    HB2  ALA   2           HB2      ALA   2  15.793  -4.852  -3.191
   16    HB3  ALA   2           HB3      ALA   2  16.293  -6.497  -3.582
   17    H    THR   3           H        THR   3  15.021  -4.818  -1.315
   18    HA   THR   3           HA       THR   3  14.242  -7.111   0.261
   19    HB   THR   3           HB       THR   3  14.128  -4.240   1.291
   20    HG1  THR   3           HG1      THR   3  15.912  -6.291   1.575
   21   HG21  THR   3          HG21      THR   3  12.181  -5.591   1.979
   22   HG22  THR   3          HG22      THR   3  13.224  -5.246   3.358
   23   HG23  THR   3          HG23      THR   3  13.262  -6.838   2.599
   24    H    LEU   4           H        LEU   4  12.485  -7.624  -0.889
   25    HA   LEU   4           HA       LEU   4  10.962  -5.396  -2.043
   26    HB2  LEU   4           HB2      LEU   4  11.230  -8.193  -3.130
   27    HB3  LEU   4           HB3      LEU   4  10.267  -6.912  -3.827
   28    HG   LEU   4           HG       LEU   4  13.280  -6.912  -3.610
   29   HD11  LEU   4          HD11      LEU   4  11.470  -7.255  -5.989
   30   HD12  LEU   4          HD12      LEU   4  12.477  -8.504  -5.252
   31   HD13  LEU   4          HD13      LEU   4  13.227  -7.119  -6.045
   32   HD21  LEU   4          HD21      LEU   4  11.408  -4.933  -4.913
   33   HD22  LEU   4          HD22      LEU   4  13.168  -4.901  -5.010
   34   HD23  LEU   4          HD23      LEU   4  12.364  -4.653  -3.458
   35    H    LEU   5           H        LEU   5   9.246  -5.072  -0.909
   36    HA   LEU   5           HA       LEU   5   7.946  -7.095   0.608
   37    HB2  LEU   5           HB2      LEU   5   6.847  -4.436  -0.290
   38    HB3  LEU   5           HB3      LEU   5   6.137  -5.483   0.915
   39    HG   LEU   5           HG       LEU   5   8.669  -3.881   1.129
   40   HD11  LEU   5          HD11      LEU   5   6.077  -3.855   2.645
   41   HD12  LEU   5          HD12      LEU   5   6.581  -2.690   1.430
   42   HD13  LEU   5          HD13      LEU   5   7.465  -2.810   2.956
   43   HD21  LEU   5          HD21      LEU   5   8.901  -4.798   3.397
   44   HD22  LEU   5          HD22      LEU   5   9.036  -6.067   2.175
   45   HD23  LEU   5          HD23      LEU   5   7.542  -5.884   3.092
   46    H    THR   6           H        THR   6   6.350  -8.364   0.029
   47    HA   THR   6           HA       THR   6   5.472  -8.071  -2.713
   48    HB   THR   6           HB       THR   6   4.892 -10.593  -2.522
   49    HG1  THR   6           HG1      THR   6   5.359 -10.532  -0.154
   50   HG21  THR   6          HG21      THR   6   7.773  -9.665  -2.530
   51   HG22  THR   6          HG22      THR   6   6.696  -9.711  -3.926
   52   HG23  THR   6          HG23      THR   6   7.192 -11.213  -3.147
   53    H    THR   7           H        THR   7   3.354  -9.762  -2.788
   54    HA   THR   7           HA       THR   7   1.179  -8.230  -2.369
   55    HB   THR   7           HB       THR   7   1.447 -11.230  -2.350
   56    HG1  THR   7           HG1      THR   7   0.620 -10.658  -4.626
   57   HG21  THR   7          HG21      THR   7  -0.987  -9.534  -2.902
   58   HG22  THR   7          HG22      THR   7  -0.758 -10.593  -1.510
   59   HG23  THR   7          HG23      THR   7  -0.883 -11.279  -3.131
   60    H    ASP   8           H        ASP   8   2.411 -10.706  -0.081
   61    HA   ASP   8           HA       ASP   8   0.255 -10.526   1.713
   62    HB2  ASP   8           HB2      ASP   8   1.796 -12.436   1.733
   63    HB3  ASP   8           HB3      ASP   8   3.075 -11.389   2.341
   64    H    ASP   9           H        ASP   9   3.384  -8.883   1.781
   65    HA   ASP   9           HA       ASP   9   3.033  -7.576   4.290
   66    HB2  ASP   9           HB2      ASP   9   5.029  -7.580   2.299
   67    HB3  ASP   9           HB3      ASP   9   4.522  -5.898   2.487
   68    H    LEU  10           H        LEU  10   2.413  -6.624   0.993
   69    HA   LEU  10           HA       LEU  10   1.459  -4.041   1.449
   70    HB2  LEU  10           HB2      LEU  10   2.016  -5.004  -0.759
   71    HB3  LEU  10           HB3      LEU  10   0.609  -6.032  -0.650
   72    HG   LEU  10           HG       LEU  10  -0.820  -3.993  -0.638
   73   HD11  LEU  10          HD11      LEU  10   0.163  -1.866  -1.339
   74   HD12  LEU  10          HD12      LEU  10   1.771  -2.581  -1.248
   75   HD13  LEU  10          HD13      LEU  10   0.805  -2.397   0.216
   76   HD21  LEU  10          HD21      LEU  10  -0.442  -5.244  -2.677
   77   HD22  LEU  10          HD22      LEU  10   1.032  -4.323  -2.986
   78   HD23  LEU  10          HD23      LEU  10  -0.537  -3.517  -3.021
   79    H    ARG  11           H        ARG  11  -0.273  -7.119   1.126
   80    HA   ARG  11           HA       ARG  11  -2.828  -6.260   1.714
   81    HB2  ARG  11           HB2      ARG  11  -2.334  -8.516   0.918
   82    HB3  ARG  11           HB3      ARG  11  -1.584  -8.904   2.463
   83    HG2  ARG  11           HG2      ARG  11  -3.756  -8.534   3.574
   84    HG3  ARG  11           HG3      ARG  11  -4.484  -8.227   2.000
   85    HD2  ARG  11           HD2      ARG  11  -4.905 -10.512   2.728
   86    HD3  ARG  11           HD3      ARG  11  -3.887 -10.479   1.287
   87    HE   ARG  11           HE       ARG  11  -1.990 -10.851   2.786
   88   HH11  ARG  11          HH11      ARG  11  -5.253 -11.853   3.888
   89   HH12  ARG  11          HH12      ARG  11  -4.635 -12.976   5.002
   90   HH21  ARG  11          HH21      ARG  11  -1.195 -12.431   4.290
   91   HH22  ARG  11          HH22      ARG  11  -2.305 -13.315   5.238
   92    H    ARG  12           H        ARG  12  -0.299  -7.306   4.001
   93    HA   ARG  12           HA       ARG  12  -1.702  -7.178   6.426
   94    HB2  ARG  12           HB2      ARG  12   1.126  -6.182   6.011
   95    HB3  ARG  12           HB3      ARG  12   0.410  -6.652   7.541
   96    HG2  ARG  12           HG2      ARG  12   0.345  -8.947   6.816
   97    HG3  ARG  12           HG3      ARG  12   0.964  -8.480   5.223
   98    HD2  ARG  12           HD2      ARG  12   2.930  -7.462   6.457
   99    HD3  ARG  12           HD3      ARG  12   2.358  -8.326   7.880
  100    HE   ARG  12           HE       ARG  12   2.554 -10.146   5.765
  101   HH11  ARG  12          HH11      ARG  12   4.698  -8.258   7.877
  102   HH12  ARG  12          HH12      ARG  12   6.026  -9.291   7.639
  103   HH21  ARG  12          HH21      ARG  12   4.328 -11.470   5.440
  104   HH22  ARG  12          HH22      ARG  12   5.840 -11.155   6.217
  105    H    ALA  13           H        ALA  13   0.064  -4.672   4.717
  106    HA   ALA  13           HA       ALA  13  -0.382  -2.592   6.514
  107    HB1  ALA  13           HB1      ALA  13   0.105  -2.416   3.546
  108    HB2  ALA  13           HB2      ALA  13   1.348  -2.535   4.791
  109    HB3  ALA  13           HB3      ALA  13   0.309  -1.111   4.714
  110    H    LEU  14           H        LEU  14  -2.185  -3.533   3.594
  111    HA   LEU  14           HA       LEU  14  -4.056  -1.451   3.907
  112    HB2  LEU  14           HB2      LEU  14  -4.125  -3.944   2.236
  113    HB3  LEU  14           HB3      LEU  14  -5.565  -2.970   2.405
  114    HG   LEU  14           HG       LEU  14  -4.245  -1.022   1.496
  115   HD11  LEU  14          HD11      LEU  14  -2.013  -1.791   1.895
  116   HD12  LEU  14          HD12      LEU  14  -2.265  -1.483   0.174
  117   HD13  LEU  14          HD13      LEU  14  -2.251  -3.138   0.784
  118   HD21  LEU  14          HD21      LEU  14  -5.824  -2.198   0.117
  119   HD22  LEU  14          HD22      LEU  14  -4.610  -3.413  -0.287
  120   HD23  LEU  14          HD23      LEU  14  -4.410  -1.751  -0.838
  121    H    VAL  15           H        VAL  15  -4.201  -4.820   4.931
  122    HA   VAL  15           HA       VAL  15  -6.794  -4.825   6.003
  123    HB   VAL  15           HB       VAL  15  -4.332  -6.353   6.951
  124   HG11  VAL  15          HG11      VAL  15  -5.890  -7.901   8.050
  125   HG12  VAL  15          HG12      VAL  15  -7.241  -6.856   7.611
  126   HG13  VAL  15          HG13      VAL  15  -6.010  -6.281   8.735
  127   HG21  VAL  15          HG21      VAL  15  -5.316  -8.222   5.710
  128   HG22  VAL  15          HG22      VAL  15  -4.966  -6.851   4.661
  129   HG23  VAL  15          HG23      VAL  15  -6.627  -7.170   5.170
  130    H    GLU  16           H        GLU  16  -3.713  -4.101   7.620
  131    HA   GLU  16           HA       GLU  16  -4.944  -3.463  10.078
  132    HB2  GLU  16           HB2      GLU  16  -2.163  -2.922   9.060
  133    HB3  GLU  16           HB3      GLU  16  -2.684  -2.628  10.719
  134    HG2  GLU  16           HG2      GLU  16  -3.177  -4.963  11.030
  135    HG3  GLU  16           HG3      GLU  16  -2.808  -5.303   9.344
  136    H    SER  17           H        SER  17  -4.348  -1.542   7.253
  137    HA   SER  17           HA       SER  17  -4.702   0.961   8.649
  138    HB2  SER  17           HB2      SER  17  -4.831   0.355   5.684
  139    HB3  SER  17           HB3      SER  17  -4.796   1.975   6.393
  140    HG   SER  17           HG       SER  17  -2.822  -0.030   6.397
  141    H    ALA  18           H        ALA  18  -6.657  -1.095   6.519
  142    HA   ALA  18           HA       ALA  18  -9.017   0.500   6.787
  143    HB1  ALA  18           HB1      ALA  18  -8.529  -0.734   4.753
  144    HB2  ALA  18           HB2      ALA  18 -10.069  -1.241   5.453
  145    HB3  ALA  18           HB3      ALA  18  -8.636  -2.255   5.638
  146    H    GLY  19           H        GLY  19  -7.636  -1.094   9.094
  147    HA2  GLY  19           HA2      GLY  19  -9.582  -2.934  10.073
  148    HA3  GLY  19           HA3      GLY  19  -8.254  -2.245  10.997
  149    H    GLU  20           H        GLU  20 -11.401  -1.599   9.752
  150    HA   GLU  20           HA       GLU  20 -12.243  -0.241  12.175
  151    HB2  GLU  20           HB2      GLU  20 -13.075   1.708  10.885
  152    HB3  GLU  20           HB3      GLU  20 -11.326   1.572  10.811
  153    HG2  GLU  20           HG2      GLU  20 -11.594   0.481   8.569
  154    HG3  GLU  20           HG3      GLU  20 -13.310   0.870   8.661
  155    H    THR  21           H        THR  21 -12.745  -2.747  11.076
  156    HA   THR  21           HA       THR  21 -14.267  -4.213  10.519
  157    HB   THR  21           HB       THR  21 -16.395  -2.035  10.798
  158    HG1  THR  21           HG1      THR  21 -15.004  -2.331  12.718
  159   HG21  THR  21          HG21      THR  21 -16.528  -5.045  11.117
  160   HG22  THR  21          HG22      THR  21 -17.169  -4.133   9.753
  161   HG23  THR  21          HG23      THR  21 -17.868  -3.925  11.361
  162    H    ASP  22           H        ASP  22 -12.943  -3.776   8.570
  163    HA   ASP  22           HA       ASP  22 -14.136  -2.425   6.360
  164    HB2  ASP  22           HB2      ASP  22 -12.232  -3.289   5.035
  165    HB3  ASP  22           HB3      ASP  22 -11.712  -2.513   6.518
  166    H    GLY  23           H        GLY  23 -13.412  -5.888   6.849
  167    HA2  GLY  23           HA2      GLY  23 -14.616  -7.725   6.223
  168    HA3  GLY  23           HA3      GLY  23 -15.933  -6.658   5.742
  169    H    THR  24           H        THR  24 -12.644  -6.361   4.501
  170    HA   THR  24           HA       THR  24 -13.690  -7.327   1.955
  171    HB   THR  24           HB       THR  24 -13.463  -4.888   1.895
  172    HG1  THR  24           HG1      THR  24 -12.488  -6.444   0.108
  173   HG21  THR  24          HG21      THR  24 -11.319  -3.733   2.121
  174   HG22  THR  24          HG22      THR  24 -10.530  -5.269   2.487
  175   HG23  THR  24          HG23      THR  24 -11.718  -4.611   3.606
  176    H    ASP  25           H        ASP  25 -12.895  -9.352   1.838
  177    HA   ASP  25           HA       ASP  25 -10.279 -10.007   2.732
  178    HB2  ASP  25           HB2      ASP  25 -11.846 -11.830   2.635
  179    HB3  ASP  25           HB3      ASP  25 -12.133 -11.555   0.914
  180    H    LEU  26           H        LEU  26  -8.492  -9.725   1.869
  181    HA   LEU  26           HA       LEU  26  -8.331  -8.727  -0.906
  182    HB2  LEU  26           HB2      LEU  26  -8.311  -7.191   1.169
  183    HB3  LEU  26           HB3      LEU  26  -6.738  -7.874   1.483
  184    HG   LEU  26           HG       LEU  26  -5.976  -6.973  -0.703
  185   HD11  LEU  26          HD11      LEU  26  -8.166  -6.859  -1.806
  186   HD12  LEU  26          HD12      LEU  26  -7.375  -5.282  -1.793
  187   HD13  LEU  26          HD13      LEU  26  -8.683  -5.624  -0.660
  188   HD21  LEU  26          HD21      LEU  26  -5.872  -4.661   0.098
  189   HD22  LEU  26          HD22      LEU  26  -5.581  -5.806   1.400
  190   HD23  LEU  26          HD23      LEU  26  -7.141  -5.008   1.267
  191    H    SER  27           H        SER  27  -7.861 -11.492  -0.209
  192    HA   SER  27           HA       SER  27  -4.990 -11.674   0.254
  193    HB2  SER  27           HB2      SER  27  -5.496 -14.136   0.634
  194    HB3  SER  27           HB3      SER  27  -6.162 -13.006   1.811
  195    HG   SER  27           HG       SER  27  -8.171 -13.386   1.083
  196    H    GLY  28           H        GLY  28  -3.553 -12.694  -1.085
  197    HA2  GLY  28           HA2      GLY  28  -2.697 -13.636  -2.955
  198    HA3  GLY  28           HA3      GLY  28  -4.307 -14.219  -3.336
  199    H    ASP  29           H        ASP  29  -5.576 -13.074  -4.682
  200    HA   ASP  29           HA       ASP  29  -4.119 -11.209  -6.351
  201    HB2  ASP  29           HB2      ASP  29  -5.026 -12.946  -7.649
  202    HB3  ASP  29           HB3      ASP  29  -6.585 -12.856  -6.839
  203    H    PHE  30           H        PHE  30  -4.254  -9.287  -5.700
  204    HA   PHE  30           HA       PHE  30  -6.837  -7.979  -5.793
  205    HB2  PHE  30           HB2      PHE  30  -6.715  -6.889  -3.663
  206    HB3  PHE  30           HB3      PHE  30  -6.512  -8.607  -3.379
  207    HD1  PHE  30           HD2      PHE  30  -4.202  -9.471  -2.856
  208    HD2  PHE  30           HD1      PHE  30  -5.100  -5.322  -3.012
  209    HE1  PHE  30           HE2      PHE  30  -2.177  -8.978  -1.561
  210    HE2  PHE  30           HE1      PHE  30  -3.074  -4.827  -1.715
  211    HZ   PHE  30           HZ       PHE  30  -1.612  -6.656  -0.987
  212    H    LEU  31           H        LEU  31  -3.664  -8.092  -6.601
  213    HA   LEU  31           HA       LEU  31  -2.751  -5.476  -6.321
  214    HB2  LEU  31           HB2      LEU  31  -2.007  -7.420  -8.507
  215    HB3  LEU  31           HB3      LEU  31  -1.104  -5.997  -8.039
  216    HG   LEU  31           HG       LEU  31  -1.494  -8.498  -6.406
  217   HD11  LEU  31          HD11      LEU  31   0.055  -8.795  -8.223
  218   HD12  LEU  31          HD12      LEU  31   0.915  -8.777  -6.682
  219   HD13  LEU  31          HD13      LEU  31   0.949  -7.360  -7.730
  220   HD21  LEU  31          HD21      LEU  31   0.046  -7.536  -4.778
  221   HD22  LEU  31          HD22      LEU  31  -1.407  -6.548  -4.923
  222   HD23  LEU  31          HD23      LEU  31   0.095  -6.025  -5.691
  223    H    ASP  32           H        ASP  32  -5.008  -6.846  -8.593
  224    HA   ASP  32           HA       ASP  32  -4.925  -4.466 -10.298
  225    HB2  ASP  32           HB2      ASP  32  -6.246  -7.155 -10.668
  226    HB3  ASP  32           HB3      ASP  32  -6.530  -5.787 -11.735
  227    H    LEU  33           H        LEU  33  -6.462  -5.417  -7.570
  228    HA   LEU  33           HA       LEU  33  -9.098  -4.573  -8.333
  229    HB2  LEU  33           HB2      LEU  33  -7.942  -5.208  -5.617
  230    HB3  LEU  33           HB3      LEU  33  -9.619  -4.794  -5.905
  231    HG   LEU  33           HG       LEU  33  -8.184  -7.238  -6.937
  232   HD11  LEU  33          HD11      LEU  33  -9.704  -8.449  -5.468
  233   HD12  LEU  33          HD12      LEU  33 -10.353  -6.911  -4.888
  234   HD13  LEU  33          HD13      LEU  33  -8.670  -7.336  -4.570
  235   HD21  LEU  33          HD21      LEU  33  -9.843  -6.458  -8.551
  236   HD22  LEU  33          HD22      LEU  33 -11.059  -6.392  -7.275
  237   HD23  LEU  33          HD23      LEU  33 -10.383  -7.945  -7.767
  238    H    ARG  34           H        ARG  34  -9.870  -2.649  -8.161
  239    HA   ARG  34           HA       ARG  34  -7.978  -0.510  -7.952
  240    HB2  ARG  34           HB2      ARG  34 -10.961  -0.512  -8.353
  241    HB3  ARG  34           HB3      ARG  34  -9.888   0.863  -8.600
  242    HG2  ARG  34           HG2      ARG  34  -8.858  -0.141 -10.459
  243    HG3  ARG  34           HG3      ARG  34  -9.551  -1.721 -10.085
  244    HD2  ARG  34           HD2      ARG  34 -11.112   0.724 -10.878
  245    HD3  ARG  34           HD3      ARG  34 -10.683  -0.607 -11.957
  246    HE   ARG  34           HE       ARG  34 -11.929  -1.959 -10.098
  247   HH11  ARG  34          HH11      ARG  34 -12.871   1.110 -11.589
  248   HH12  ARG  34          HH12      ARG  34 -14.518   0.942 -11.227
  249   HH21  ARG  34          HH21      ARG  34 -14.248  -2.267  -9.769
  250   HH22  ARG  34          HH22      ARG  34 -15.318  -1.019 -10.190
  251    H    PHE  35           H        PHE  35  -7.657   0.792  -6.289
  252    HA   PHE  35           HA       PHE  35  -8.464   0.332  -3.714
  253    HB2  PHE  35           HB2      PHE  35  -7.608   2.932  -4.972
  254    HB3  PHE  35           HB3      PHE  35  -7.960   2.793  -3.257
  255    HD1  PHE  35           HD2      PHE  35  -6.694   0.663  -2.155
  256    HD2  PHE  35           HD1      PHE  35  -5.415   2.821  -5.578
  257    HE1  PHE  35           HE2      PHE  35  -4.399  -0.131  -1.794
  258    HE2  PHE  35           HE1      PHE  35  -3.118   2.022  -5.231
  259    HZ   PHE  35           HZ       PHE  35  -2.581   0.708  -3.189
  260    H    GLU  36           H        GLU  36 -10.017   2.566  -5.979
  261    HA   GLU  36           HA       GLU  36 -11.986   3.426  -4.214
  262    HB2  GLU  36           HB2      GLU  36 -13.232   4.222  -6.217
  263    HB3  GLU  36           HB3      GLU  36 -11.536   4.663  -6.197
  264    HG2  GLU  36           HG2      GLU  36 -11.677   4.070  -8.359
  265    HG3  GLU  36           HG3      GLU  36 -11.353   2.474  -7.692
  266    H    ASP  37           H        ASP  37 -11.824   0.540  -5.997
  267    HA   ASP  37           HA       ASP  37 -14.577  -0.209  -5.493
  268    HB2  ASP  37           HB2      ASP  37 -13.684  -0.942  -7.584
  269    HB3  ASP  37           HB3      ASP  37 -12.287  -1.670  -6.805
  270    H    ILE  38           H        ILE  38 -11.507  -0.708  -3.985
  271    HA   ILE  38           HA       ILE  38 -12.753  -2.650  -2.197
  272    HB   ILE  38           HB       ILE  38 -10.521  -3.018  -1.168
  273   HG12  ILE  38          HG12      ILE  38  -9.512  -1.158  -3.344
  274   HG13  ILE  38          HG13      ILE  38  -9.544  -0.814  -1.620
  275   HG21  ILE  38          HG21      ILE  38  -9.522  -4.224  -3.067
  276   HG22  ILE  38          HG22      ILE  38 -10.607  -3.367  -4.163
  277   HG23  ILE  38          HG23      ILE  38 -11.265  -4.470  -2.954
  278   HD11  ILE  38          HD11      ILE  38  -7.932  -2.604  -1.227
  279   HD12  ILE  38          HD12      ILE  38  -7.312  -1.416  -2.373
  280   HD13  ILE  38          HD13      ILE  38  -7.915  -2.969  -2.953
  281    H    GLY  39           H        GLY  39 -13.075   0.350  -2.354
  282    HA2  GLY  39           HA2      GLY  39 -13.859   1.898  -0.844
  283    HA3  GLY  39           HA3      GLY  39 -13.717   0.665   0.396
  284    H    TYR  40           H        TYR  40 -11.022   1.677  -1.543
  285    HA   TYR  40           HA       TYR  40  -9.749   2.723   0.871
  286    HB2  TYR  40           HB2      TYR  40  -8.859   1.010  -1.250
  287    HB3  TYR  40           HB3      TYR  40  -7.947   2.499  -1.274
  288    HD1  TYR  40           HD1      TYR  40  -9.162  -0.010   1.160
  289    HD2  TYR  40           HD2      TYR  40  -6.095   2.658  -0.014
  290    HE1  TYR  40           HE1      TYR  40  -7.767  -0.839   2.988
  291    HE2  TYR  40           HE2      TYR  40  -4.681   1.853   1.820
  292    HH   TYR  40           HH       TYR  40  -5.733  -0.897   3.763
  293    H    ASP  41           H        ASP  41  -9.804   4.829   0.995
  294    HA   ASP  41           HA       ASP  41  -9.576   6.405  -1.489
  295    HB2  ASP  41           HB2      ASP  41 -10.175   7.400   1.280
  296    HB3  ASP  41           HB3      ASP  41 -10.162   8.355  -0.174
  297    H    SER  42           H        SER  42  -8.361   8.432  -1.064
  298    HA   SER  42           HA       SER  42  -5.696   8.165  -0.914
  299    HB2  SER  42           HB2      SER  42  -5.759  10.632  -0.340
  300    HB3  SER  42           HB3      SER  42  -6.720  10.134  -1.748
  301    H    LEU  43           H        LEU  43  -7.833   8.831   1.813
  302    HA   LEU  43           HA       LEU  43  -5.821   9.550   3.661
  303    HB2  LEU  43           HB2      LEU  43  -8.545   8.402   4.247
  304    HB3  LEU  43           HB3      LEU  43  -7.520   9.240   5.390
  305    HG   LEU  43           HG       LEU  43  -8.835  10.452   2.961
  306   HD11  LEU  43          HD11      LEU  43 -10.142  11.709   4.601
  307   HD12  LEU  43          HD12      LEU  43  -9.361  10.811   5.903
  308   HD13  LEU  43          HD13      LEU  43 -10.398   9.971   4.751
  309   HD21  LEU  43          HD21      LEU  43  -7.987  12.588   3.812
  310   HD22  LEU  43          HD22      LEU  43  -6.671  11.490   3.397
  311   HD23  LEU  43          HD23      LEU  43  -7.118  11.732   5.087
  312    H    ALA  44           H        ALA  44  -7.715   6.492   3.612
  313    HA   ALA  44           HA       ALA  44  -5.956   5.136   5.339
  314    HB1  ALA  44           HB1      ALA  44  -7.835   3.942   3.302
  315    HB2  ALA  44           HB2      ALA  44  -8.268   4.406   4.946
  316    HB3  ALA  44           HB3      ALA  44  -7.114   3.100   4.672
  317    H    LEU  45           H        LEU  45  -5.959   5.607   1.915
  318    HA   LEU  45           HA       LEU  45  -4.154   3.577   1.170
  319    HB2  LEU  45           HB2      LEU  45  -5.773   5.131  -0.144
  320    HB3  LEU  45           HB3      LEU  45  -4.435   6.222  -0.266
  321    HG   LEU  45           HG       LEU  45  -4.651   3.424  -1.382
  322   HD11  LEU  45          HD11      LEU  45  -4.574   6.101  -2.736
  323   HD12  LEU  45          HD12      LEU  45  -5.974   5.041  -2.564
  324   HD13  LEU  45          HD13      LEU  45  -4.600   4.536  -3.547
  325   HD21  LEU  45          HD21      LEU  45  -2.341   3.866  -0.741
  326   HD22  LEU  45          HD22      LEU  45  -2.360   5.369  -1.673
  327   HD23  LEU  45          HD23      LEU  45  -2.530   3.808  -2.493
  328    H    MET  46           H        MET  46  -3.664   7.034   1.942
  329    HA   MET  46           HA       MET  46  -0.834   7.011   1.718
  330    HB2  MET  46           HB2      MET  46  -2.653   8.856   3.270
  331    HB3  MET  46           HB3      MET  46  -0.926   9.113   3.074
  332    HG2  MET  46           HG2      MET  46  -1.193   9.316   0.701
  333    HG3  MET  46           HG3      MET  46  -2.905   8.925   0.852
  334    HE1  MET  46           HE1      MET  46  -3.583  11.075  -0.532
  335    HE2  MET  46           HE2      MET  46  -1.877  11.483  -0.718
  336    HE3  MET  46           HE3      MET  46  -3.019  12.702  -0.155
  337    H    GLU  47           H        GLU  47  -3.052   6.364   4.285
  338    HA   GLU  47           HA       GLU  47  -1.363   6.290   6.505
  339    HB2  GLU  47           HB2      GLU  47  -3.824   6.227   6.422
  340    HB3  GLU  47           HB3      GLU  47  -3.757   4.579   5.856
  341    HG2  GLU  47           HG2      GLU  47  -4.269   4.653   8.245
  342    HG3  GLU  47           HG3      GLU  47  -2.742   3.834   7.926
  343    H    THR  48           H        THR  48  -2.301   3.765   4.232
  344    HA   THR  48           HA       THR  48  -0.793   1.635   5.178
  345    HB   THR  48           HB       THR  48  -1.737   2.442   2.439
  346    HG1  THR  48           HG1      THR  48  -2.844   1.394   4.635
  347   HG21  THR  48          HG21      THR  48   0.121   0.873   2.191
  348   HG22  THR  48          HG22      THR  48  -1.402   0.089   1.771
  349   HG23  THR  48          HG23      THR  48  -0.637  -0.239   3.331
  350    H    ALA  49           H        ALA  49  -0.049   3.938   2.550
  351    HA   ALA  49           HA       ALA  49   2.524   3.053   1.986
  352    HB1  ALA  49           HB1      ALA  49   1.227   4.555   0.540
  353    HB2  ALA  49           HB2      ALA  49   2.841   5.186   0.864
  354    HB3  ALA  49           HB3      ALA  49   1.445   5.853   1.711
  355    H    ALA  50           H        ALA  50   1.423   5.515   4.268
  356    HA   ALA  50           HA       ALA  50   3.880   6.574   5.039
  357    HB1  ALA  50           HB1      ALA  50   1.397   6.331   6.730
  358    HB2  ALA  50           HB2      ALA  50   1.721   7.612   5.563
  359    HB3  ALA  50           HB3      ALA  50   2.739   7.443   6.995
  360    H    ARG  51           H        ARG  51   2.178   3.776   6.171
  361    HA   ARG  51           HA       ARG  51   3.710   3.236   8.478
  362    HB2  ARG  51           HB2      ARG  51   1.557   2.129   7.929
  363    HB3  ARG  51           HB3      ARG  51   2.369   1.263   6.629
  364    HG2  ARG  51           HG2      ARG  51   3.907   0.314   8.354
  365    HG3  ARG  51           HG3      ARG  51   2.849   1.023   9.577
  366    HD2  ARG  51           HD2      ARG  51   0.963  -0.219   8.444
  367    HD3  ARG  51           HD3      ARG  51   2.210  -1.101   7.559
  368    HE   ARG  51           HE       ARG  51   2.719  -1.089  10.325
  369   HH11  ARG  51          HH11      ARG  51   1.126  -2.940   7.773
  370   HH12  ARG  51          HH12      ARG  51   0.509  -4.121   8.860
  371   HH21  ARG  51          HH21      ARG  51   1.876  -2.702  11.762
  372   HH22  ARG  51          HH22      ARG  51   0.920  -3.987  11.134
  373    H    LEU  52           H        LEU  52   3.861   2.056   5.179
  374    HA   LEU  52           HA       LEU  52   6.117   0.418   5.596
  375    HB2  LEU  52           HB2      LEU  52   5.152   1.443   2.911
  376    HB3  LEU  52           HB3      LEU  52   6.083  -0.011   3.237
  377    HG   LEU  52           HG       LEU  52   3.191   0.436   3.928
  378   HD11  LEU  52          HD11      LEU  52   2.802  -1.378   2.366
  379   HD12  LEU  52          HD12      LEU  52   4.532  -1.473   2.050
  380   HD13  LEU  52          HD13      LEU  52   3.630  -0.026   1.577
  381   HD21  LEU  52          HD21      LEU  52   4.280  -0.856   5.691
  382   HD22  LEU  52          HD22      LEU  52   4.947  -1.958   4.487
  383   HD23  LEU  52          HD23      LEU  52   3.202  -1.877   4.737
  384    H    GLU  53           H        GLU  53   5.693   3.744   4.589
  385    HA   GLU  53           HA       GLU  53   8.256   4.357   3.687
  386    HB2  GLU  53           HB2      GLU  53   6.416   6.059   5.327
  387    HB3  GLU  53           HB3      GLU  53   7.865   6.648   4.542
  388    HG2  GLU  53           HG2      GLU  53   6.860   6.049   2.374
  389    HG3  GLU  53           HG3      GLU  53   5.385   5.591   3.236
  390    H    SER  54           H        SER  54   6.982   4.877   6.961
  391    HA   SER  54           HA       SER  54   9.412   5.607   8.097
  392    HB2  SER  54           HB2      SER  54   7.036   4.364   9.476
  393    HB3  SER  54           HB3      SER  54   8.244   5.433  10.184
  394    HG   SER  54           HG       SER  54   7.407   7.129   9.150
  395    H    ARG  55           H        ARG  55   7.675   2.505   8.090
  396    HA   ARG  55           HA       ARG  55   9.534   1.241   9.778
  397    HB2  ARG  55           HB2      ARG  55   7.211   0.503   9.625
  398    HB3  ARG  55           HB3      ARG  55   7.489  -0.043   7.975
  399    HG2  ARG  55           HG2      ARG  55   9.075  -1.688   8.745
  400    HG3  ARG  55           HG3      ARG  55   8.928  -1.092  10.398
  401    HD2  ARG  55           HD2      ARG  55   6.555  -1.728  10.388
  402    HD3  ARG  55           HD3      ARG  55   6.752  -2.366   8.752
  403    HE   ARG  55           HE       ARG  55   8.644  -3.667  10.031
  404   HH11  ARG  55          HH11      ARG  55   5.288  -3.102  11.074
  405   HH12  ARG  55          HH12      ARG  55   5.097  -4.600  11.851
  406   HH21  ARG  55          HH21      ARG  55   8.426  -5.725  11.145
  407   HH22  ARG  55          HH22      ARG  55   6.934  -6.155  11.861
  408    H    TYR  56           H        TYR  56   9.262   1.204   6.216
  409    HA   TYR  56           HA       TYR  56  11.506  -0.641   6.270
  410    HB2  TYR  56           HB2      TYR  56   9.604  -0.022   4.013
  411    HB3  TYR  56           HB3      TYR  56  10.963  -1.140   3.902
  412    HD1  TYR  56           HD2      TYR  56  10.990  -3.111   5.560
  413    HD2  TYR  56           HD1      TYR  56   7.520  -0.785   4.793
  414    HE1  TYR  56           HE2      TYR  56   9.590  -4.915   6.466
  415    HE2  TYR  56           HE1      TYR  56   6.105  -2.570   5.690
  416    HH   TYR  56           HH       TYR  56   6.270  -5.100   6.036
  417    H    GLY  57           H        GLY  57  10.855   2.644   5.511
  418    HA2  GLY  57           HA2      GLY  57  12.660   4.153   5.344
  419    HA3  GLY  57           HA3      GLY  57  13.664   2.857   4.718
  420    H    VAL  58           H        VAL  58  10.603   4.423   3.818
  421    HA   VAL  58           HA       VAL  58  11.769   5.074   1.231
  422    HB   VAL  58           HB       VAL  58   9.854   4.401  -0.086
  423   HG11  VAL  58          HG11      VAL  58  11.449   2.645   0.255
  424   HG12  VAL  58          HG12      VAL  58   9.811   1.981   0.147
  425   HG13  VAL  58          HG13      VAL  58  10.599   2.140   1.719
  426   HG21  VAL  58          HG21      VAL  58   8.057   4.856   1.481
  427   HG22  VAL  58          HG22      VAL  58   8.534   3.469   2.458
  428   HG23  VAL  58          HG23      VAL  58   7.903   3.226   0.827
  429    H    SER  59           H        SER  59  10.032   6.587   0.009
  430    HA   SER  59           HA       SER  59   8.603   8.240   1.919
  431    HB2  SER  59           HB2      SER  59  10.968   9.158   1.763
  432    HB3  SER  59           HB3      SER  59  10.709   9.403   0.043
  433    HG   SER  59           HG       SER  59   8.727  10.582   1.543
  434    H    ILE  60           H        ILE  60   6.661   8.176   1.059
  435    HA   ILE  60           HA       ILE  60   6.295   7.979  -1.856
  436    HB   ILE  60           HB       ILE  60   4.282   7.454   0.359
  437   HG12  ILE  60          HG12      ILE  60   6.042   5.763   0.449
  438   HG13  ILE  60          HG13      ILE  60   4.559   5.041  -0.159
  439   HG21  ILE  60          HG21      ILE  60   2.910   6.398  -1.382
  440   HG22  ILE  60          HG22      ILE  60   4.092   6.880  -2.597
  441   HG23  ILE  60          HG23      ILE  60   3.195   8.109  -1.705
  442   HD11  ILE  60          HD11      ILE  60   6.516   4.240  -1.367
  443   HD12  ILE  60          HD12      ILE  60   6.928   5.895  -1.821
  444   HD13  ILE  60          HD13      ILE  60   5.451   5.153  -2.436
  445    HA   PRO  61           HA       PRO  61   5.134  12.343  -1.513
  446    HB2  PRO  61           HB2      PRO  61   4.517  11.921  -4.383
  447    HB3  PRO  61           HB3      PRO  61   5.557  13.134  -3.625
  448    HG2  PRO  61           HG2      PRO  61   6.622  11.095  -4.959
  449    HG3  PRO  61           HG3      PRO  61   7.357  11.675  -3.450
  450    HD2  PRO  61           HD2      PRO  61   5.607   9.287  -3.909
  451    HD3  PRO  61           HD3      PRO  61   7.087   9.429  -2.932
  452    H    ASP  62           H        ASP  62   3.267  13.333  -1.267
  453    HA   ASP  62           HA       ASP  62   0.964  11.854  -0.742
  454    HB2  ASP  62           HB2      ASP  62   1.382  14.826  -0.951
  455    HB3  ASP  62           HB3      ASP  62  -0.177  14.133  -0.533
  456    H    ASP  63           H        ASP  63   1.727  13.713  -3.636
  457    HA   ASP  63           HA       ASP  63  -0.950  13.516  -4.659
  458    HB2  ASP  63           HB2      ASP  63  -0.194  14.496  -6.697
  459    HB3  ASP  63           HB3      ASP  63   0.722  15.269  -5.417
  460    H    VAL  64           H        VAL  64   1.804  11.506  -4.766
  461    HA   VAL  64           HA       VAL  64   1.016   9.867  -7.005
  462    HB   VAL  64           HB       VAL  64   2.874   9.213  -4.728
  463   HG11  VAL  64          HG11      VAL  64   3.926   7.681  -6.367
  464   HG12  VAL  64          HG12      VAL  64   2.699   8.130  -7.551
  465   HG13  VAL  64          HG13      VAL  64   2.234   7.281  -6.077
  466   HG21  VAL  64          HG21      VAL  64   3.518  10.539  -7.361
  467   HG22  VAL  64          HG22      VAL  64   4.709   9.989  -6.179
  468   HG23  VAL  64          HG23      VAL  64   3.586  11.286  -5.766
  469    H    ALA  65           H        ALA  65   0.839   9.673  -3.517
  470    HA   ALA  65           HA       ALA  65  -0.236   7.132  -3.256
  471    HB1  ALA  65           HB1      ALA  65   0.676   8.437  -1.402
  472    HB2  ALA  65           HB2      ALA  65  -0.939   7.826  -1.040
  473    HB3  ALA  65           HB3      ALA  65  -0.713   9.518  -1.485
  474    H    GLY  66           H        GLY  66  -1.837  10.134  -4.107
  475    HA2  GLY  66           HA2      GLY  66  -4.452   8.828  -3.929
  476    HA3  GLY  66           HA3      GLY  66  -4.165  10.529  -4.271
  477    H    ARG  67           H        ARG  67  -2.037   8.954  -6.158
  478    HA   ARG  67           HA       ARG  67  -3.784   9.214  -8.496
  479    HB2  ARG  67           HB2      ARG  67  -1.728  10.524  -8.550
  480    HB3  ARG  67           HB3      ARG  67  -0.769   9.075  -8.271
  481    HG2  ARG  67           HG2      ARG  67  -1.585   8.178 -10.427
  482    HG3  ARG  67           HG3      ARG  67  -2.417   9.706 -10.705
  483    HD2  ARG  67           HD2      ARG  67  -0.307  10.882 -10.679
  484    HD3  ARG  67           HD3      ARG  67   0.545   9.389 -10.279
  485    HE   ARG  67           HE       ARG  67  -0.858   8.885 -12.590
  486   HH11  ARG  67          HH11      ARG  67   1.670  11.160 -11.601
  487   HH12  ARG  67          HH12      ARG  67   2.442  11.241 -13.103
  488   HH21  ARG  67          HH21      ARG  67   0.178   8.952 -14.713
  489   HH22  ARG  67          HH22      ARG  67   1.514   9.971 -14.960
  490    H    VAL  68           H        VAL  68  -2.045   6.896  -6.647
  491    HA   VAL  68           HA       VAL  68  -1.941   4.925  -8.706
  492    HB   VAL  68           HB       VAL  68  -1.303   3.350  -6.791
  493   HG11  VAL  68          HG11      VAL  68   0.366   4.508  -8.153
  494   HG12  VAL  68          HG12      VAL  68   0.902   4.389  -6.478
  495   HG13  VAL  68          HG13      VAL  68   0.270   5.916  -7.094
  496   HG21  VAL  68          HG21      VAL  68  -0.721   4.370  -4.645
  497   HG22  VAL  68          HG22      VAL  68  -2.448   4.582  -4.968
  498   HG23  VAL  68          HG23      VAL  68  -1.321   5.924  -5.215
  499    H    ASP  69           H        ASP  69  -3.415   3.558  -9.326
  500    HA   ASP  69           HA       ASP  69  -6.065   3.795  -8.128
  501    HB2  ASP  69           HB2      ASP  69  -5.881   4.192 -10.533
  502    HB3  ASP  69           HB3      ASP  69  -5.156   2.608 -10.759
  503    H    THR  70           H        THR  70  -3.611   1.465  -8.867
  504    HA   THR  70           HA       THR  70  -5.177  -0.589  -7.481
  505    HB   THR  70           HB       THR  70  -3.734  -2.217  -8.786
  506    HG1  THR  70           HG1      THR  70  -2.980   0.223 -10.022
  507   HG21  THR  70          HG21      THR  70  -5.616  -0.429 -10.324
  508   HG22  THR  70          HG22      THR  70  -6.077  -1.818  -9.339
  509   HG23  THR  70          HG23      THR  70  -5.127  -2.052 -10.808
  510    HA   PRO  71           HA       PRO  71  -2.127  -0.907  -4.294
  511    HB2  PRO  71           HB2      PRO  71  -2.413  -3.858  -4.615
  512    HB3  PRO  71           HB3      PRO  71  -2.595  -2.861  -3.165
  513    HG2  PRO  71           HG2      PRO  71  -4.726  -3.832  -4.369
  514    HG3  PRO  71           HG3      PRO  71  -4.730  -2.162  -3.759
  515    HD2  PRO  71           HD2      PRO  71  -4.368  -3.156  -6.561
  516    HD3  PRO  71           HD3      PRO  71  -5.331  -1.787  -5.970
  517    H    ARG  72           H        ARG  72  -1.798  -2.885  -7.169
  518    HA   ARG  72           HA       ARG  72   0.780  -3.805  -7.027
  519    HB2  ARG  72           HB2      ARG  72  -0.568  -4.404  -8.890
  520    HB3  ARG  72           HB3      ARG  72  -0.768  -2.727  -9.379
  521    HG2  ARG  72           HG2      ARG  72   1.596  -2.613  -9.984
  522    HG3  ARG  72           HG3      ARG  72   1.816  -4.285  -9.468
  523    HD2  ARG  72           HD2      ARG  72  -0.091  -3.399 -11.614
  524    HD3  ARG  72           HD3      ARG  72   1.540  -4.000 -11.916
  525    HE   ARG  72           HE       ARG  72   0.857  -6.078 -10.894
  526   HH11  ARG  72          HH11      ARG  72  -1.737  -3.945 -12.105
  527   HH12  ARG  72          HH12      ARG  72  -2.809  -5.254 -12.345
  528   HH21  ARG  72          HH21      ARG  72  -0.683  -7.788 -11.237
  529   HH22  ARG  72          HH22      ARG  72  -2.266  -7.402 -11.782
  530    H    GLU  73           H        GLU  73  -0.355  -0.648  -8.173
  531    HA   GLU  73           HA       GLU  73   2.119   0.453  -8.921
  532    HB2  GLU  73           HB2      GLU  73  -0.426   1.808  -8.040
  533    HB3  GLU  73           HB3      GLU  73   0.911   2.590  -8.869
  534    HG2  GLU  73           HG2      GLU  73   0.518   1.335 -10.846
  535    HG3  GLU  73           HG3      GLU  73  -0.648   0.299 -10.021
  536    H    LEU  74           H        LEU  74   0.286   0.510  -5.931
  537    HA   LEU  74           HA       LEU  74   1.962   2.385  -4.601
  538    HB2  LEU  74           HB2      LEU  74  -0.455   1.815  -4.026
  539    HB3  LEU  74           HB3      LEU  74   0.127   0.321  -3.337
  540    HG   LEU  74           HG       LEU  74  -0.453   2.092  -1.668
  541   HD11  LEU  74          HD11      LEU  74   1.507   1.867  -0.242
  542   HD12  LEU  74          HD12      LEU  74   2.440   1.265  -1.612
  543   HD13  LEU  74          HD13      LEU  74   1.070   0.335  -0.998
  544   HD21  LEU  74          HD21      LEU  74   1.069   3.984  -1.358
  545   HD22  LEU  74          HD22      LEU  74   0.253   4.040  -2.918
  546   HD23  LEU  74          HD23      LEU  74   1.935   3.517  -2.821
  547    H    LEU  75           H        LEU  75   1.741  -1.158  -4.567
  548    HA   LEU  75           HA       LEU  75   3.856  -1.680  -2.807
  549    HB2  LEU  75           HB2      LEU  75   2.192  -3.347  -3.611
  550    HB3  LEU  75           HB3      LEU  75   2.986  -3.345  -5.171
  551    HG   LEU  75           HG       LEU  75   5.035  -4.219  -4.119
  552   HD11  LEU  75          HD11      LEU  75   4.945  -5.042  -1.810
  553   HD12  LEU  75          HD12      LEU  75   3.349  -4.314  -1.623
  554   HD13  LEU  75          HD13      LEU  75   4.756  -3.291  -1.903
  555   HD21  LEU  75          HD21      LEU  75   3.407  -5.771  -5.080
  556   HD22  LEU  75          HD22      LEU  75   2.548  -5.828  -3.542
  557   HD23  LEU  75          HD23      LEU  75   4.182  -6.477  -3.660
  558    H    ASP  76           H        ASP  76   3.803  -1.139  -6.274
  559    HA   ASP  76           HA       ASP  76   6.478  -1.665  -6.904
  560    HB2  ASP  76           HB2      ASP  76   4.797  -1.343  -8.633
  561    HB3  ASP  76           HB3      ASP  76   4.583   0.335  -8.147
  562    H    LEU  77           H        LEU  77   4.917   1.276  -5.796
  563    HA   LEU  77           HA       LEU  77   7.089   3.054  -5.926
  564    HB2  LEU  77           HB2      LEU  77   4.819   2.983  -3.942
  565    HB3  LEU  77           HB3      LEU  77   5.869   4.351  -4.216
  566    HG   LEU  77           HG       LEU  77   3.961   3.196  -6.232
  567   HD11  LEU  77          HD11      LEU  77   3.789   5.674  -4.528
  568   HD12  LEU  77          HD12      LEU  77   2.811   4.219  -4.358
  569   HD13  LEU  77          HD13      LEU  77   2.659   5.220  -5.803
  570   HD21  LEU  77          HD21      LEU  77   5.904   4.261  -7.269
  571   HD22  LEU  77          HD22      LEU  77   5.640   5.707  -6.293
  572   HD23  LEU  77          HD23      LEU  77   4.451   5.234  -7.504
  573    H    ILE  78           H        ILE  78   6.169   0.665  -3.615
  574    HA   ILE  78           HA       ILE  78   8.076   1.463  -1.615
  575    HB   ILE  78           HB       ILE  78   6.582  -1.168  -1.884
  576   HG12  ILE  78          HG12      ILE  78   4.988   0.697  -1.771
  577   HG13  ILE  78          HG13      ILE  78   4.949  -0.244  -0.290
  578   HG21  ILE  78          HG21      ILE  78   8.482  -1.314  -0.387
  579   HG22  ILE  78          HG22      ILE  78   6.976  -1.367   0.535
  580   HG23  ILE  78          HG23      ILE  78   7.931   0.114   0.488
  581   HD11  ILE  78          HD11      ILE  78   6.334   2.406  -0.667
  582   HD12  ILE  78          HD12      ILE  78   6.284   1.475   0.830
  583   HD13  ILE  78          HD13      ILE  78   4.797   2.141   0.158
  584    H    ASN  79           H        ASN  79   7.733  -1.251  -3.881
  585    HA   ASN  79           HA       ASN  79  10.144  -2.587  -3.356
  586    HB2  ASN  79           HB2      ASN  79   8.412  -2.508  -5.811
  587    HB3  ASN  79           HB3      ASN  79   9.928  -3.390  -5.816
  588   HD21  ASN  79          HD21      ASN  79   7.846  -3.215  -2.976
  589   HD22  ASN  79          HD22      ASN  79   7.364  -4.879  -3.065
  590    H    GLY  80           H        GLY  80   9.492  -0.138  -5.851
  591    HA2  GLY  80           HA2      GLY  80  12.072  -0.153  -6.977
  592    HA3  GLY  80           HA3      GLY  80  10.895   1.145  -7.108
  593    H    ALA  81           H        ALA  81  10.670   1.667  -4.336
  594    HA   ALA  81           HA       ALA  81  12.895   3.395  -4.006
  595    HB1  ALA  81           HB1      ALA  81  10.728   2.678  -2.049
  596    HB2  ALA  81           HB2      ALA  81  10.662   3.990  -3.228
  597    HB3  ALA  81           HB3      ALA  81  11.842   4.037  -1.916
  598    H    LEU  82           H        LEU  82  11.865   0.367  -2.513
  599    HA   LEU  82           HA       LEU  82  13.960   0.301  -0.610
  600    HB2  LEU  82           HB2      LEU  82  12.131  -1.851  -1.618
  601    HB3  LEU  82           HB3      LEU  82  13.364  -2.156  -0.412
  602    HG   LEU  82           HG       LEU  82  11.056  -0.231  -0.110
  603   HD11  LEU  82          HD11      LEU  82  11.577  -2.919   1.150
  604   HD12  LEU  82          HD12      LEU  82  10.351  -2.566  -0.067
  605   HD13  LEU  82          HD13      LEU  82  10.237  -1.838   1.536
  606   HD21  LEU  82          HD21      LEU  82  11.804  -0.057   2.211
  607   HD22  LEU  82          HD22      LEU  82  13.048   0.501   1.092
  608   HD23  LEU  82          HD23      LEU  82  13.188  -1.086   1.844
  609    H    ALA  83           H        ALA  83  13.913  -0.456  -3.917
  610    HA   ALA  83           HA       ALA  83  16.154  -2.177  -4.052
  611    HB1  ALA  83           HB1      ALA  83  15.249  -0.079  -6.036
  612    HB2  ALA  83           HB2      ALA  83  14.690  -1.753  -5.989
  613    HB3  ALA  83           HB3      ALA  83  16.373  -1.394  -6.378
  614    H    GLU  84           H        GLU  84  15.775   1.139  -3.416
  615    HA   GLU  84           HA       GLU  84  18.646   1.671  -3.543
  616    HB2  GLU  84           HB2      GLU  84  17.051   3.198  -4.680
  617    HB3  GLU  84           HB3      GLU  84  16.253   3.477  -3.145
  618    HG2  GLU  84           HG2      GLU  84  18.286   4.500  -2.294
  619    HG3  GLU  84           HG3      GLU  84  19.063   4.236  -3.859
  620    H    ALA  85           H        ALA  85  15.823   2.309  -1.496
  621    HA   ALA  85           HA       ALA  85  15.323   2.244   0.644
  622    HB1  ALA  85           HB1      ALA  85  16.365   0.671   2.148
  623    HB2  ALA  85           HB2      ALA  85  17.743   0.498   1.061
  624    HB3  ALA  85           HB3      ALA  85  16.150  -0.074   0.564
  625    H    ALA  86           H        ALA  86  15.444   3.601   2.253
  626    HA   ALA  86           HA       ALA  86  17.758   5.313   2.322
  627    HB1  ALA  86           HB1      ALA  86  15.105   5.510   3.757
  628    HB2  ALA  86           HB2      ALA  86  15.524   6.318   2.245
  629    HB3  ALA  86           HB3      ALA  86  16.365   6.747   3.738
  630    H28  SXA  87          H28A      SXA  87 -10.846  11.751  -1.253
  631   H28A  SXA  87          H28B      SXA  87 -10.281  10.256  -0.509
  632    H30  SXA  87          H30A      SXA  87 -12.584  10.336   2.352
  633   H30A  SXA  87          H30B      SXA  87 -10.962  11.031   2.322
  634   H30B  SXA  87          H30C      SXA  87 -11.262   9.465   1.574
  635    H31  SXA  87          H31A      SXA  87 -13.505  12.427   1.255
  636   H31A  SXA  87          H31B      SXA  87 -12.749  13.023  -0.222
  637   H31B  SXA  87          H31C      SXA  87 -11.872  13.096   1.307
  638    H32  SXA  87          H32A      SXA  87 -12.607   9.326  -0.689
  639   HO33  SXA  87          H33A      SXA  87 -14.294  11.155  -1.508
  640   HN36  SXA  87          H36A      SXA  87 -13.602   8.756   1.522
  641    H37  SXA  87          H37A      SXA  87 -16.418   9.626   1.839
  642   H37A  SXA  87          H37B      SXA  87 -15.963   7.933   1.774
  643    H38  SXA  87          H38A      SXA  87 -16.229   8.476   4.045
  644   H38A  SXA  87          H38B      SXA  87 -14.484   8.282   3.767
  645   HN41  SXA  87          H41A      SXA  87 -14.330   9.413   5.783
  646    H42  SXA  87          H42A      SXA  87 -13.817  12.213   5.519
  647   H42A  SXA  87          H42B      SXA  87 -15.265  11.905   6.456
  648    H43  SXA  87          H43A      SXA  87 -12.494  10.918   7.117
  649   H43A  SXA  87          H43B      SXA  87 -13.975  10.487   7.990
  650    H2   SXA  87           H2C      SXA  87 -11.677  14.078  10.237
  651    H2A  SXA  87           H2A      SXA  87 -11.502  12.785  11.431
  652    H2B  SXA  87           H2B      SXA  87 -13.099  13.473  11.099
  Start of MODEL    5
    1    H1   MET   1           H1       MET   1  22.088  -6.484  -2.053
    2    H2   MET   1           H2       MET   1  21.438  -4.926  -2.035
    3    H3   MET   1           H3       MET   1  21.021  -5.969  -3.278
    4    HA   MET   1           HA       MET   1  19.914  -7.399  -1.650
    5    HB2  MET   1           HB2      MET   1  20.417  -5.021   0.163
    6    HB3  MET   1           HB3      MET   1  19.314  -6.335   0.516
    7    HG2  MET   1           HG2      MET   1  21.217  -7.888   0.530
    8    HG3  MET   1           HG3      MET   1  22.301  -6.528   0.246
    9    HE1  MET   1           HE1      MET   1  19.744  -7.038   4.073
   10    HE2  MET   1           HE2      MET   1  19.768  -8.200   2.745
   11    HE3  MET   1           HE3      MET   1  19.056  -6.605   2.505
   12    H    ALA   2           H        ALA   2  18.334  -7.135  -3.098
   13    HA   ALA   2           HA       ALA   2  16.925  -4.597  -3.148
   14    HB1  ALA   2           HB1      ALA   2  15.639  -5.566  -5.003
   15    HB2  ALA   2           HB2      ALA   2  16.491  -7.098  -4.795
   16    HB3  ALA   2           HB3      ALA   2  17.374  -5.659  -5.316
   17    H    THR   3           H        THR   3  16.146  -4.703  -1.032
   18    HA   THR   3           HA       THR   3  14.572  -6.833  -0.068
   19    HB   THR   3           HB       THR   3  14.522  -3.919   0.743
   20    HG1  THR   3           HG1      THR   3  16.465  -4.162   1.523
   21   HG21  THR   3          HG21      THR   3  14.144  -6.484   2.312
   22   HG22  THR   3          HG22      THR   3  12.856  -5.385   1.822
   23   HG23  THR   3          HG23      THR   3  14.078  -4.853   2.980
   24    H    LEU   4           H        LEU   4  12.787  -7.313  -1.259
   25    HA   LEU   4           HA       LEU   4  11.063  -5.086  -2.044
   26    HB2  LEU   4           HB2      LEU   4  11.214  -7.836  -3.288
   27    HB3  LEU   4           HB3      LEU   4  10.222  -6.503  -3.832
   28    HG   LEU   4           HG       LEU   4  13.240  -6.621  -3.933
   29   HD11  LEU   4          HD11      LEU   4  12.198  -8.055  -5.570
   30   HD12  LEU   4          HD12      LEU   4  12.936  -6.652  -6.348
   31   HD13  LEU   4          HD13      LEU   4  11.189  -6.721  -6.127
   32   HD21  LEU   4          HD21      LEU   4  12.481  -4.335  -3.547
   33   HD22  LEU   4          HD22      LEU   4  11.360  -4.465  -4.904
   34   HD23  LEU   4          HD23      LEU   4  13.101  -4.517  -5.190
   35    H    LEU   5           H        LEU   5   8.840  -5.425  -1.797
   36    HA   LEU   5           HA       LEU   5   8.216  -7.227   0.420
   37    HB2  LEU   5           HB2      LEU   5   6.621  -4.928  -0.694
   38    HB3  LEU   5           HB3      LEU   5   6.195  -5.894   0.705
   39    HG   LEU   5           HG       LEU   5   8.499  -3.982   0.453
   40   HD11  LEU   5          HD11      LEU   5   6.350  -2.930   0.769
   41   HD12  LEU   5          HD12      LEU   5   7.327  -2.787   2.230
   42   HD13  LEU   5          HD13      LEU   5   6.018  -3.968   2.154
   43   HD21  LEU   5          HD21      LEU   5   8.977  -4.525   2.799
   44   HD22  LEU   5          HD22      LEU   5   9.192  -5.921   1.748
   45   HD23  LEU   5          HD23      LEU   5   7.747  -5.790   2.752
   46    H    THR   6           H        THR   6   6.229  -8.411   0.322
   47    HA   THR   6           HA       THR   6   5.703  -9.280  -2.413
   48    HB   THR   6           HB       THR   6   4.719 -11.275  -1.333
   49    HG1  THR   6           HG1      THR   6   5.756 -10.254   1.125
   50   HG21  THR   6          HG21      THR   6   7.504 -10.600  -0.340
   51   HG22  THR   6          HG22      THR   6   7.119 -11.287  -1.919
   52   HG23  THR   6          HG23      THR   6   6.820 -12.221  -0.453
   53    H    THR   7           H        THR   7   3.377 -10.200  -2.580
   54    HA   THR   7           HA       THR   7   1.367  -8.305  -2.391
   55    HB   THR   7           HB       THR   7   1.215 -11.336  -2.395
   56    HG1  THR   7           HG1      THR   7   2.220 -10.726  -4.220
   57   HG21  THR   7          HG21      THR   7  -1.039 -11.050  -3.346
   58   HG22  THR   7          HG22      THR   7  -0.902  -9.304  -3.132
   59   HG23  THR   7          HG23      THR   7  -0.935 -10.366  -1.725
   60    H    ASP   8           H        ASP   8   2.539 -10.639  -0.028
   61    HA   ASP   8           HA       ASP   8   0.344 -10.532   1.731
   62    HB2  ASP   8           HB2      ASP   8   3.207 -11.329   2.222
   63    HB3  ASP   8           HB3      ASP   8   1.961 -11.414   3.460
   64    H    ASP   9           H        ASP   9   3.436  -8.771   1.754
   65    HA   ASP   9           HA       ASP   9   2.842  -7.439   4.215
   66    HB2  ASP   9           HB2      ASP   9   5.167  -7.587   2.884
   67    HB3  ASP   9           HB3      ASP   9   4.606  -6.020   2.283
   68    H    LEU  10           H        LEU  10   2.433  -6.661   0.890
   69    HA   LEU  10           HA       LEU  10   1.399  -4.072   1.071
   70    HB2  LEU  10           HB2      LEU  10   1.946  -5.239  -1.045
   71    HB3  LEU  10           HB3      LEU  10   0.572  -6.293  -0.803
   72    HG   LEU  10           HG       LEU  10  -0.927  -4.331  -0.986
   73   HD11  LEU  10          HD11      LEU  10  -0.045  -2.232  -1.886
   74   HD12  LEU  10          HD12      LEU  10   1.594  -2.865  -1.736
   75   HD13  LEU  10          HD13      LEU  10   0.618  -2.594  -0.291
   76   HD21  LEU  10          HD21      LEU  10   0.933  -4.793  -3.312
   77   HD22  LEU  10          HD22      LEU  10  -0.673  -4.075  -3.409
   78   HD23  LEU  10          HD23      LEU  10  -0.489  -5.756  -2.907
   79    H    ARG  11           H        ARG  11  -0.311  -7.186   1.008
   80    HA   ARG  11           HA       ARG  11  -2.862  -6.342   1.598
   81    HB2  ARG  11           HB2      ARG  11  -2.496  -8.614   0.941
   82    HB3  ARG  11           HB3      ARG  11  -1.453  -8.912   2.320
   83    HG2  ARG  11           HG2      ARG  11  -3.291  -8.846   3.829
   84    HG3  ARG  11           HG3      ARG  11  -4.372  -8.249   2.572
   85    HD2  ARG  11           HD2      ARG  11  -4.696 -10.635   3.056
   86    HD3  ARG  11           HD3      ARG  11  -4.230 -10.333   1.391
   87    HE   ARG  11           HE       ARG  11  -1.883 -10.924   2.413
   88   HH11  ARG  11          HH11      ARG  11  -4.946 -12.423   3.336
   89   HH12  ARG  11          HH12      ARG  11  -4.364 -14.023   3.313
   90   HH21  ARG  11          HH21      ARG  11  -1.015 -13.200   2.412
   91   HH22  ARG  11          HH22      ARG  11  -2.112 -14.448   2.736
   92    H    ARG  12           H        ARG  12  -0.345  -7.277   3.894
   93    HA   ARG  12           HA       ARG  12  -1.686  -6.912   6.308
   94    HB2  ARG  12           HB2      ARG  12   1.197  -6.255   5.692
   95    HB3  ARG  12           HB3      ARG  12   0.529  -6.477   7.303
   96    HG2  ARG  12           HG2      ARG  12   0.125  -8.789   6.875
   97    HG3  ARG  12           HG3      ARG  12   0.555  -8.594   5.175
   98    HD2  ARG  12           HD2      ARG  12   2.828  -7.892   5.911
   99    HD3  ARG  12           HD3      ARG  12   2.367  -8.320   7.559
  100    HE   ARG  12           HE       ARG  12   1.812 -10.572   6.387
  101   HH11  ARG  12          HH11      ARG  12   4.636  -8.477   5.735
  102   HH12  ARG  12          HH12      ARG  12   5.666  -9.785   5.393
  103   HH21  ARG  12          HH21      ARG  12   3.286 -12.339   5.828
  104   HH22  ARG  12          HH22      ARG  12   4.913 -11.959   5.430
  105    H    ALA  13           H        ALA  13   0.152  -4.553   4.419
  106    HA   ALA  13           HA       ALA  13  -0.211  -2.365   6.146
  107    HB1  ALA  13           HB1      ALA  13   0.325  -2.353   3.185
  108    HB2  ALA  13           HB2      ALA  13   1.544  -2.472   4.453
  109    HB3  ALA  13           HB3      ALA  13   0.575  -1.007   4.294
  110    H    LEU  14           H        LEU  14  -2.059  -3.443   3.322
  111    HA   LEU  14           HA       LEU  14  -3.892  -1.310   3.443
  112    HB2  LEU  14           HB2      LEU  14  -3.893  -3.953   2.053
  113    HB3  LEU  14           HB3      LEU  14  -5.412  -3.100   2.205
  114    HG   LEU  14           HG       LEU  14  -4.344  -1.148   1.045
  115   HD11  LEU  14          HD11      LEU  14  -2.025  -1.612   1.438
  116   HD12  LEU  14          HD12      LEU  14  -2.354  -1.514  -0.294
  117   HD13  LEU  14          HD13      LEU  14  -2.132  -3.085   0.477
  118   HD21  LEU  14          HD21      LEU  14  -5.818  -2.652  -0.133
  119   HD22  LEU  14          HD22      LEU  14  -4.470  -3.736  -0.479
  120   HD23  LEU  14          HD23      LEU  14  -4.507  -2.125  -1.189
  121    H    VAL  15           H        VAL  15  -4.042  -4.586   4.772
  122    HA   VAL  15           HA       VAL  15  -6.607  -4.492   5.887
  123    HB   VAL  15           HB       VAL  15  -4.156  -5.999   6.900
  124   HG11  VAL  15          HG11      VAL  15  -5.804  -5.768   8.699
  125   HG12  VAL  15          HG12      VAL  15  -5.731  -7.436   8.129
  126   HG13  VAL  15          HG13      VAL  15  -7.065  -6.393   7.638
  127   HG21  VAL  15          HG21      VAL  15  -6.513  -6.924   5.265
  128   HG22  VAL  15          HG22      VAL  15  -5.178  -7.935   5.820
  129   HG23  VAL  15          HG23      VAL  15  -4.881  -6.646   4.655
  130    H    GLU  16           H        GLU  16  -3.541  -4.037   7.630
  131    HA   GLU  16           HA       GLU  16  -4.690  -3.333  10.057
  132    HB2  GLU  16           HB2      GLU  16  -1.930  -2.747   9.000
  133    HB3  GLU  16           HB3      GLU  16  -2.415  -2.543  10.680
  134    HG2  GLU  16           HG2      GLU  16  -2.865  -4.903  10.893
  135    HG3  GLU  16           HG3      GLU  16  -2.550  -5.151   9.179
  136    H    SER  17           H        SER  17  -4.094  -1.297   7.317
  137    HA   SER  17           HA       SER  17  -4.322   1.138   8.831
  138    HB2  SER  17           HB2      SER  17  -3.001   1.058   6.738
  139    HB3  SER  17           HB3      SER  17  -4.465   0.687   5.837
  140    HG   SER  17           HG       SER  17  -4.251   2.822   5.628
  141    H    ALA  18           H        ALA  18  -6.427  -0.836   6.785
  142    HA   ALA  18           HA       ALA  18  -8.641   0.973   6.914
  143    HB1  ALA  18           HB1      ALA  18  -8.540  -1.913   6.039
  144    HB2  ALA  18           HB2      ALA  18  -8.310  -0.515   4.989
  145    HB3  ALA  18           HB3      ALA  18  -9.871  -0.794   5.758
  146    H    GLY  19           H        GLY  19  -7.743  -2.060   8.499
  147    HA2  GLY  19           HA2      GLY  19  -8.396  -1.973  10.929
  148    HA3  GLY  19           HA3      GLY  19 -10.028  -1.737  10.304
  149    H    GLU  20           H        GLU  20 -10.891  -3.638  11.030
  150    HA   GLU  20           HA       GLU  20  -9.550  -6.109  10.232
  151    HB2  GLU  20           HB2      GLU  20 -11.964  -5.751  12.019
  152    HB3  GLU  20           HB3      GLU  20 -11.072  -7.240  11.761
  153    HG2  GLU  20           HG2      GLU  20 -10.035  -4.758  13.116
  154    HG3  GLU  20           HG3      GLU  20 -10.550  -6.243  13.910
  155    H    THR  21           H        THR  21 -11.737  -4.053   9.130
  156    HA   THR  21           HA       THR  21 -13.396  -6.097   7.804
  157    HB   THR  21           HB       THR  21 -14.115  -3.193   8.275
  158    HG1  THR  21           HG1      THR  21 -14.439  -5.521   9.844
  159   HG21  THR  21          HG21      THR  21 -16.395  -3.974   7.778
  160   HG22  THR  21          HG22      THR  21 -15.785  -5.607   7.521
  161   HG23  THR  21          HG23      THR  21 -15.311  -4.309   6.427
  162    H    ASP  22           H        ASP  22 -12.025  -6.353   6.044
  163    HA   ASP  22           HA       ASP  22 -11.452  -4.032   4.383
  164    HB2  ASP  22           HB2      ASP  22 -10.365  -5.681   2.812
  165    HB3  ASP  22           HB3      ASP  22  -9.665  -5.665   4.423
  166    H    GLY  23           H        GLY  23 -13.582  -6.743   4.566
  167    HA2  GLY  23           HA2      GLY  23 -15.582  -7.202   3.590
  168    HA3  GLY  23           HA3      GLY  23 -15.670  -5.496   3.207
  169    H    THR  24           H        THR  24 -13.258  -7.785   1.945
  170    HA   THR  24           HA       THR  24 -14.695  -8.271  -0.419
  171    HB   THR  24           HB       THR  24 -14.075  -5.925  -0.907
  172    HG1  THR  24           HG1      THR  24 -13.511  -6.314  -2.944
  173   HG21  THR  24          HG21      THR  24 -11.702  -5.264  -1.210
  174   HG22  THR  24          HG22      THR  24 -11.198  -6.848  -0.618
  175   HG23  THR  24          HG23      THR  24 -12.041  -5.735   0.457
  176    H    ASP  25           H        ASP  25 -12.336  -8.640  -2.012
  177    HA   ASP  25           HA       ASP  25 -11.140 -10.922  -0.599
  178    HB2  ASP  25           HB2      ASP  25 -11.269 -10.357  -3.574
  179    HB3  ASP  25           HB3      ASP  25 -10.426 -11.717  -2.853
  180    H    LEU  26           H        LEU  26  -9.725  -9.619   0.534
  181    HA   LEU  26           HA       LEU  26  -7.855  -8.050  -1.051
  182    HB2  LEU  26           HB2      LEU  26  -8.983  -7.190   1.059
  183    HB3  LEU  26           HB3      LEU  26  -7.999  -8.329   1.954
  184    HG   LEU  26           HG       LEU  26  -5.968  -7.169   1.113
  185   HD11  LEU  26          HD11      LEU  26  -6.221  -4.964   0.082
  186   HD12  LEU  26          HD12      LEU  26  -7.968  -5.197   0.013
  187   HD13  LEU  26          HD13      LEU  26  -6.900  -6.237  -0.930
  188   HD21  LEU  26          HD21      LEU  26  -6.924  -6.629   3.286
  189   HD22  LEU  26          HD22      LEU  26  -7.958  -5.415   2.535
  190   HD23  LEU  26          HD23      LEU  26  -6.206  -5.207   2.530
  191    H    SER  27           H        SER  27  -8.218 -11.105  -0.326
  192    HA   SER  27           HA       SER  27  -5.395 -11.659   0.163
  193    HB2  SER  27           HB2      SER  27  -7.798 -13.482   0.333
  194    HB3  SER  27           HB3      SER  27  -6.148 -13.878   0.832
  195    HG   SER  27           HG       SER  27  -7.172 -11.576   1.902
  196    H    GLY  28           H        GLY  28  -4.512 -13.451  -1.219
  197    HA2  GLY  28           HA2      GLY  28  -4.267 -14.509  -3.253
  198    HA3  GLY  28           HA3      GLY  28  -5.866 -13.927  -3.728
  199    H    ASP  29           H        ASP  29  -5.418 -12.941  -5.639
  200    HA   ASP  29           HA       ASP  29  -3.338 -10.892  -5.547
  201    HB2  ASP  29           HB2      ASP  29  -3.058 -12.439  -7.426
  202    HB3  ASP  29           HB3      ASP  29  -4.692 -12.072  -7.979
  203    H    PHE  30           H        PHE  30  -4.448  -9.429  -4.456
  204    HA   PHE  30           HA       PHE  30  -6.877  -8.283  -5.580
  205    HB2  PHE  30           HB2      PHE  30  -6.844  -6.814  -3.600
  206    HB3  PHE  30           HB3      PHE  30  -6.721  -8.509  -3.152
  207    HD1  PHE  30           HD2      PHE  30  -4.470  -9.417  -2.495
  208    HD2  PHE  30           HD1      PHE  30  -5.195  -5.262  -2.983
  209    HE1  PHE  30           HE2      PHE  30  -2.452  -8.915  -1.198
  210    HE2  PHE  30           HE1      PHE  30  -3.178  -4.756  -1.690
  211    HZ   PHE  30           HZ       PHE  30  -1.823  -6.577  -0.768
  212    H    LEU  31           H        LEU  31  -3.798  -8.082  -6.397
  213    HA   LEU  31           HA       LEU  31  -2.966  -5.498  -6.167
  214    HB2  LEU  31           HB2      LEU  31  -2.146  -7.675  -8.000
  215    HB3  LEU  31           HB3      LEU  31  -1.527  -6.058  -8.261
  216    HG   LEU  31           HG       LEU  31  -0.583  -6.048  -5.993
  217   HD11  LEU  31          HD11      LEU  31  -1.536  -8.888  -5.808
  218   HD12  LEU  31          HD12      LEU  31  -2.109  -7.510  -4.863
  219   HD13  LEU  31          HD13      LEU  31  -0.451  -8.081  -4.673
  220   HD21  LEU  31          HD21      LEU  31   0.238  -8.417  -7.654
  221   HD22  LEU  31          HD22      LEU  31   1.211  -7.668  -6.388
  222   HD23  LEU  31          HD23      LEU  31   0.806  -6.758  -7.844
  223    H    ASP  32           H        ASP  32  -5.056  -6.634  -8.789
  224    HA   ASP  32           HA       ASP  32  -4.822  -3.905  -9.824
  225    HB2  ASP  32           HB2      ASP  32  -5.795  -4.602 -11.954
  226    HB3  ASP  32           HB3      ASP  32  -4.397  -5.587 -11.574
  227    H    LEU  33           H        LEU  33  -6.552  -5.195  -7.605
  228    HA   LEU  33           HA       LEU  33  -9.165  -4.341  -8.431
  229    HB2  LEU  33           HB2      LEU  33  -8.080  -5.083  -5.709
  230    HB3  LEU  33           HB3      LEU  33  -9.755  -4.682  -6.031
  231    HG   LEU  33           HG       LEU  33  -8.252  -7.069  -7.100
  232   HD11  LEU  33          HD11      LEU  33  -8.833  -7.248  -4.754
  233   HD12  LEU  33          HD12      LEU  33  -9.827  -8.337  -5.727
  234   HD13  LEU  33          HD13      LEU  33 -10.504  -6.819  -5.125
  235   HD21  LEU  33          HD21      LEU  33  -9.851  -6.239  -8.744
  236   HD22  LEU  33          HD22      LEU  33 -11.122  -6.233  -7.522
  237   HD23  LEU  33          HD23      LEU  33 -10.403  -7.758  -8.043
  238    H    ARG  34           H        ARG  34  -9.882  -2.416  -8.276
  239    HA   ARG  34           HA       ARG  34  -7.986  -0.308  -7.820
  240    HB2  ARG  34           HB2      ARG  34 -10.924  -0.075  -8.445
  241    HB3  ARG  34           HB3      ARG  34  -9.673   1.131  -8.723
  242    HG2  ARG  34           HG2      ARG  34  -8.602  -0.401 -10.343
  243    HG3  ARG  34           HG3      ARG  34  -9.932  -1.533 -10.110
  244    HD2  ARG  34           HD2      ARG  34 -10.326  -0.242 -12.097
  245    HD3  ARG  34           HD3      ARG  34 -11.497   0.223 -10.862
  246    HE   ARG  34           HE       ARG  34  -9.262   1.859 -10.657
  247   HH11  ARG  34          HH11      ARG  34 -11.876   1.311 -13.008
  248   HH12  ARG  34          HH12      ARG  34 -11.892   2.951 -13.518
  249   HH21  ARG  34          HH21      ARG  34  -9.304   3.986 -11.334
  250   HH22  ARG  34          HH22      ARG  34 -10.358   4.533 -12.568
  251    H    PHE  35           H        PHE  35  -7.912   1.127  -6.176
  252    HA   PHE  35           HA       PHE  35  -8.862   0.478  -3.665
  253    HB2  PHE  35           HB2      PHE  35  -7.939   3.151  -4.698
  254    HB3  PHE  35           HB3      PHE  35  -8.367   2.876  -3.011
  255    HD1  PHE  35           HD2      PHE  35  -7.139   0.931  -1.824
  256    HD2  PHE  35           HD1      PHE  35  -5.759   2.764  -5.396
  257    HE1  PHE  35           HE2      PHE  35  -4.869   0.116  -1.358
  258    HE2  PHE  35           HE1      PHE  35  -3.488   1.954  -4.941
  259    HZ   PHE  35           HZ       PHE  35  -3.037   0.629  -2.914
  260    H    GLU  36           H        GLU  36 -10.354   2.697  -5.962
  261    HA   GLU  36           HA       GLU  36 -12.509   3.562  -4.408
  262    HB2  GLU  36           HB2      GLU  36 -12.267   3.104  -7.369
  263    HB3  GLU  36           HB3      GLU  36 -13.725   3.754  -6.638
  264    HG2  GLU  36           HG2      GLU  36 -10.988   4.977  -6.444
  265    HG3  GLU  36           HG3      GLU  36 -12.260   5.483  -7.559
  266    H    ASP  37           H        ASP  37 -12.002   0.539  -6.014
  267    HA   ASP  37           HA       ASP  37 -14.772  -0.257  -5.824
  268    HB2  ASP  37           HB2      ASP  37 -13.481  -0.978  -7.762
  269    HB3  ASP  37           HB3      ASP  37 -12.325  -1.793  -6.714
  270    H    ILE  38           H        ILE  38 -11.751  -0.840  -4.176
  271    HA   ILE  38           HA       ILE  38 -13.082  -2.782  -2.474
  272    HB   ILE  38           HB       ILE  38 -10.853  -3.196  -1.438
  273   HG12  ILE  38          HG12      ILE  38  -9.851  -1.269  -3.562
  274   HG13  ILE  38          HG13      ILE  38  -9.872  -0.959  -1.833
  275   HG21  ILE  38          HG21      ILE  38 -10.959  -3.417  -4.444
  276   HG22  ILE  38          HG22      ILE  38 -11.627  -4.567  -3.285
  277   HG23  ILE  38          HG23      ILE  38  -9.881  -4.332  -3.389
  278   HD11  ILE  38          HD11      ILE  38  -7.644  -1.555  -2.594
  279   HD12  ILE  38          HD12      ILE  38  -8.258  -3.086  -3.227
  280   HD13  ILE  38          HD13      ILE  38  -8.272  -2.782  -1.491
  281    H    GLY  39           H        GLY  39 -13.347   0.239  -2.482
  282    HA2  GLY  39           HA2      GLY  39 -14.049   1.794  -0.953
  283    HA3  GLY  39           HA3      GLY  39 -14.227   0.458   0.168
  284    H    TYR  40           H        TYR  40 -11.342   1.885  -1.338
  285    HA   TYR  40           HA       TYR  40 -10.290   2.257   1.370
  286    HB2  TYR  40           HB2      TYR  40  -8.976   1.592  -1.198
  287    HB3  TYR  40           HB3      TYR  40  -8.086   2.616  -0.076
  288    HD1  TYR  40           HD1      TYR  40 -10.217  -0.424   0.091
  289    HD2  TYR  40           HD2      TYR  40  -6.649   1.509   1.321
  290    HE1  TYR  40           HE1      TYR  40  -9.578  -2.425   1.299
  291    HE2  TYR  40           HE2      TYR  40  -5.970  -0.490   2.553
  292    HH   TYR  40           HH       TYR  40  -7.515  -3.488   2.153
  293    H    ASP  41           H        ASP  41 -10.411   4.091   2.194
  294    HA   ASP  41           HA       ASP  41 -10.944   6.498   0.777
  295    HB2  ASP  41           HB2      ASP  41 -11.349   5.937   3.341
  296    HB3  ASP  41           HB3      ASP  41  -9.614   6.357   3.353
  297    H    SER  42           H        SER  42  -9.581   8.230   0.690
  298    HA   SER  42           HA       SER  42  -7.077   7.726  -0.502
  299    HB2  SER  42           HB2      SER  42  -6.833  10.215  -0.385
  300    HB3  SER  42           HB3      SER  42  -8.290   9.637  -1.219
  301    H    LEU  43           H        LEU  43  -7.968   9.052   2.627
  302    HA   LEU  43           HA       LEU  43  -5.324   9.554   3.486
  303    HB2  LEU  43           HB2      LEU  43  -7.831   9.139   5.101
  304    HB3  LEU  43           HB3      LEU  43  -6.320   9.766   5.726
  305    HG   LEU  43           HG       LEU  43  -8.011  11.114   3.616
  306   HD11  LEU  43          HD11      LEU  43  -9.098  11.107   5.788
  307   HD12  LEU  43          HD12      LEU  43  -8.529  12.722   5.372
  308   HD13  LEU  43          HD13      LEU  43  -7.634  11.742   6.534
  309   HD21  LEU  43          HD21      LEU  43  -6.536  13.021   3.991
  310   HD22  LEU  43          HD22      LEU  43  -5.633  11.620   3.410
  311   HD23  LEU  43          HD23      LEU  43  -5.577  12.062   5.117
  312    H    ALA  44           H        ALA  44  -7.535   6.868   3.898
  313    HA   ALA  44           HA       ALA  44  -5.924   5.314   5.636
  314    HB1  ALA  44           HB1      ALA  44  -8.000   4.355   3.650
  315    HB2  ALA  44           HB2      ALA  44  -8.332   4.886   5.298
  316    HB3  ALA  44           HB3      ALA  44  -7.365   3.439   5.014
  317    H    LEU  45           H        LEU  45  -6.129   5.557   2.161
  318    HA   LEU  45           HA       LEU  45  -4.444   3.428   1.426
  319    HB2  LEU  45           HB2      LEU  45  -6.038   4.847   0.022
  320    HB3  LEU  45           HB3      LEU  45  -4.806   6.076   0.014
  321    HG   LEU  45           HG       LEU  45  -4.540   3.334  -1.237
  322   HD11  LEU  45          HD11      LEU  45  -5.095   6.025  -2.459
  323   HD12  LEU  45          HD12      LEU  45  -6.215   4.665  -2.304
  324   HD13  LEU  45          HD13      LEU  45  -4.796   4.519  -3.342
  325   HD21  LEU  45          HD21      LEU  45  -2.777   5.782  -1.504
  326   HD22  LEU  45          HD22      LEU  45  -2.573   4.256  -2.370
  327   HD23  LEU  45          HD23      LEU  45  -2.359   4.314  -0.618
  328    H    MET  46           H        MET  46  -3.799   6.912   1.876
  329    HA   MET  46           HA       MET  46  -1.027   6.694   1.528
  330    HB2  MET  46           HB2      MET  46  -2.593   8.840   2.955
  331    HB3  MET  46           HB3      MET  46  -0.909   8.972   2.446
  332    HG2  MET  46           HG2      MET  46  -1.655   8.496   0.146
  333    HG3  MET  46           HG3      MET  46  -3.300   8.589   0.716
  334    HE1  MET  46           HE1      MET  46  -3.155  10.968   2.852
  335    HE2  MET  46           HE2      MET  46  -4.446  10.807   1.667
  336    HE3  MET  46           HE3      MET  46  -3.609  12.348   1.855
  337    H    GLU  47           H        GLU  47  -3.025   6.430   4.373
  338    HA   GLU  47           HA       GLU  47  -1.008   6.347   6.314
  339    HB2  GLU  47           HB2      GLU  47  -3.724   5.343   6.019
  340    HB3  GLU  47           HB3      GLU  47  -2.828   4.683   7.400
  341    HG2  GLU  47           HG2      GLU  47  -3.566   7.545   6.783
  342    HG3  GLU  47           HG3      GLU  47  -4.164   6.550   8.111
  343    H    THR  48           H        THR  48  -2.312   3.820   4.250
  344    HA   THR  48           HA       THR  48  -0.895   1.614   5.178
  345    HB   THR  48           HB       THR  48  -1.976   2.458   2.496
  346    HG1  THR  48           HG1      THR  48  -2.819   0.415   4.256
  347   HG21  THR  48          HG21      THR  48  -0.136   0.948   1.993
  348   HG22  THR  48          HG22      THR  48  -1.682   0.135   1.704
  349   HG23  THR  48          HG23      THR  48  -0.751  -0.226   3.158
  350    H    ALA  49           H        ALA  49  -0.145   3.851   2.522
  351    HA   ALA  49           HA       ALA  49   2.394   2.896   1.879
  352    HB1  ALA  49           HB1      ALA  49   1.377   5.725   1.629
  353    HB2  ALA  49           HB2      ALA  49   1.078   4.431   0.477
  354    HB3  ALA  49           HB3      ALA  49   2.725   5.016   0.736
  355    H    ALA  50           H        ALA  50   1.436   5.506   4.075
  356    HA   ALA  50           HA       ALA  50   3.939   6.411   4.829
  357    HB1  ALA  50           HB1      ALA  50   1.841   7.599   5.297
  358    HB2  ALA  50           HB2      ALA  50   2.843   7.428   6.737
  359    HB3  ALA  50           HB3      ALA  50   1.441   6.388   6.513
  360    H    ARG  51           H        ARG  51   2.057   3.744   6.149
  361    HA   ARG  51           HA       ARG  51   3.762   3.361   8.368
  362    HB2  ARG  51           HB2      ARG  51   1.413   2.390   8.088
  363    HB3  ARG  51           HB3      ARG  51   2.164   1.146   7.085
  364    HG2  ARG  51           HG2      ARG  51   3.585   0.481   8.916
  365    HG3  ARG  51           HG3      ARG  51   2.931   1.767   9.920
  366    HD2  ARG  51           HD2      ARG  51   0.667   0.643   9.549
  367    HD3  ARG  51           HD3      ARG  51   1.600  -0.738   8.960
  368    HE   ARG  51           HE       ARG  51   2.353   0.381  11.519
  369   HH11  ARG  51          HH11      ARG  51   0.905  -2.344   9.798
  370   HH12  ARG  51          HH12      ARG  51   0.626  -3.266  11.198
  371   HH21  ARG  51          HH21      ARG  51   1.997  -0.887  13.455
  372   HH22  ARG  51          HH22      ARG  51   1.299  -2.441  13.315
  373    H    LEU  52           H        LEU  52   3.692   1.975   5.130
  374    HA   LEU  52           HA       LEU  52   5.945   0.293   5.538
  375    HB2  LEU  52           HB2      LEU  52   4.949   1.377   2.867
  376    HB3  LEU  52           HB3      LEU  52   5.955  -0.040   3.133
  377    HG   LEU  52           HG       LEU  52   3.098   0.178   4.014
  378   HD11  LEU  52          HD11      LEU  52   3.295   0.114   1.588
  379   HD12  LEU  52          HD12      LEU  52   2.665  -1.411   2.208
  380   HD13  LEU  52          HD13      LEU  52   4.352  -1.294   1.702
  381   HD21  LEU  52          HD21      LEU  52   5.035  -2.137   3.999
  382   HD22  LEU  52          HD22      LEU  52   3.329  -2.223   4.439
  383   HD23  LEU  52          HD23      LEU  52   4.450  -1.287   5.429
  384    H    GLU  53           H        GLU  53   5.549   3.629   4.452
  385    HA   GLU  53           HA       GLU  53   8.148   4.268   3.685
  386    HB2  GLU  53           HB2      GLU  53   6.215   5.959   5.241
  387    HB3  GLU  53           HB3      GLU  53   7.698   6.565   4.541
  388    HG2  GLU  53           HG2      GLU  53   6.783   5.983   2.304
  389    HG3  GLU  53           HG3      GLU  53   5.266   5.550   3.103
  390    H    SER  54           H        SER  54   6.670   4.550   6.844
  391    HA   SER  54           HA       SER  54   8.947   5.370   8.234
  392    HB2  SER  54           HB2      SER  54   6.560   3.873   9.309
  393    HB3  SER  54           HB3      SER  54   7.637   4.947  10.204
  394    HG   SER  54           HG       SER  54   5.665   5.569   8.292
  395    H    ARG  55           H        ARG  55   7.510   2.139   7.824
  396    HA   ARG  55           HA       ARG  55   9.260   0.796   9.554
  397    HB2  ARG  55           HB2      ARG  55   7.032  -0.043   8.759
  398    HB3  ARG  55           HB3      ARG  55   7.789  -0.424   7.219
  399    HG2  ARG  55           HG2      ARG  55   9.373  -1.907   8.443
  400    HG3  ARG  55           HG3      ARG  55   8.432  -1.621   9.907
  401    HD2  ARG  55           HD2      ARG  55   7.457  -2.886   7.347
  402    HD3  ARG  55           HD3      ARG  55   7.789  -3.720   8.860
  403    HE   ARG  55           HE       ARG  55   5.924  -1.995   9.642
  404   HH11  ARG  55          HH11      ARG  55   5.982  -4.053   6.733
  405   HH12  ARG  55          HH12      ARG  55   4.324  -4.278   6.664
  406   HH21  ARG  55          HH21      ARG  55   3.719  -2.307   9.621
  407   HH22  ARG  55          HH22      ARG  55   2.914  -3.255   8.431
  408    H    TYR  56           H        TYR  56   9.400   1.192   6.001
  409    HA   TYR  56           HA       TYR  56  11.886  -0.354   6.035
  410    HB2  TYR  56           HB2      TYR  56  10.161   0.397   3.674
  411    HB3  TYR  56           HB3      TYR  56  11.570  -0.661   3.630
  412    HD1  TYR  56           HD2      TYR  56  11.506  -2.780   5.017
  413    HD2  TYR  56           HD1      TYR  56   8.044  -0.463   4.195
  414    HE1  TYR  56           HE2      TYR  56  10.101  -4.726   5.489
  415    HE2  TYR  56           HE1      TYR  56   6.624  -2.415   4.659
  416    HH   TYR  56           HH       TYR  56   7.840  -5.270   6.115
  417    H    GLY  57           H        GLY  57  10.940   2.857   5.892
  418    HA2  GLY  57           HA2      GLY  57  12.344   4.707   5.773
  419    HA3  GLY  57           HA3      GLY  57  13.653   3.640   5.284
  420    H    VAL  58           H        VAL  58  10.470   4.428   3.956
  421    HA   VAL  58           HA       VAL  58  11.794   5.171   1.453
  422    HB   VAL  58           HB       VAL  58  10.084   4.187   0.071
  423   HG11  VAL  58          HG11      VAL  58  10.279   1.815   0.517
  424   HG12  VAL  58          HG12      VAL  58  10.880   2.188   2.133
  425   HG13  VAL  58          HG13      VAL  58  11.823   2.660   0.712
  426   HG21  VAL  58          HG21      VAL  58   8.120   4.576   1.451
  427   HG22  VAL  58          HG22      VAL  58   8.652   3.331   2.582
  428   HG23  VAL  58          HG23      VAL  58   8.192   2.890   0.938
  429    H    SER  59           H        SER  59  10.023   6.397   0.003
  430    HA   SER  59           HA       SER  59   8.346   7.991   1.723
  431    HB2  SER  59           HB2      SER  59   9.229  10.051   0.499
  432    HB3  SER  59           HB3      SER  59  10.281   9.334   1.721
  433    HG   SER  59           HG       SER  59  10.483   9.311  -1.075
  434    H    ILE  60           H        ILE  60   6.461   8.177   0.926
  435    HA   ILE  60           HA       ILE  60   6.007   7.963  -1.988
  436    HB   ILE  60           HB       ILE  60   4.095   7.031   0.190
  437   HG12  ILE  60          HG12      ILE  60   6.021   5.513   0.148
  438   HG13  ILE  60          HG13      ILE  60   4.597   4.702  -0.480
  439   HG21  ILE  60          HG21      ILE  60   2.957   7.739  -1.816
  440   HG22  ILE  60          HG22      ILE  60   2.839   5.987  -1.645
  441   HG23  ILE  60          HG23      ILE  60   3.973   6.686  -2.800
  442   HD11  ILE  60          HD11      ILE  60   5.431   5.061  -2.764
  443   HD12  ILE  60          HD12      ILE  60   6.577   4.151  -1.776
  444   HD13  ILE  60          HD13      ILE  60   6.856   5.864  -2.104
  445    HA   PRO  61           HA       PRO  61   4.542  12.134  -0.689
  446    HB2  PRO  61           HB2      PRO  61   4.571  12.442  -3.644
  447    HB3  PRO  61           HB3      PRO  61   5.262  13.487  -2.395
  448    HG2  PRO  61           HG2      PRO  61   6.843  11.962  -3.887
  449    HG3  PRO  61           HG3      PRO  61   7.161  12.161  -2.151
  450    HD2  PRO  61           HD2      PRO  61   5.874   9.867  -3.591
  451    HD3  PRO  61           HD3      PRO  61   7.074   9.840  -2.281
  452    H    ASP  62           H        ASP  62   2.599  13.265  -1.030
  453    HA   ASP  62           HA       ASP  62   0.292  11.695  -1.113
  454    HB2  ASP  62           HB2      ASP  62  -0.978  13.665  -0.775
  455    HB3  ASP  62           HB3      ASP  62   0.560  13.944   0.027
  456    H    ASP  63           H        ASP  63   1.802  13.493  -3.714
  457    HA   ASP  63           HA       ASP  63  -0.426  13.300  -5.503
  458    HB2  ASP  63           HB2      ASP  63   1.142  15.029  -5.968
  459    HB3  ASP  63           HB3      ASP  63   2.499  13.910  -5.937
  460    H    VAL  64           H        VAL  64   2.266  11.334  -4.751
  461    HA   VAL  64           HA       VAL  64   2.074   9.528  -6.988
  462    HB   VAL  64           HB       VAL  64   3.367   9.153  -4.285
  463   HG11  VAL  64          HG11      VAL  64   3.121   7.087  -5.544
  464   HG12  VAL  64          HG12      VAL  64   4.819   7.556  -5.463
  465   HG13  VAL  64          HG13      VAL  64   3.898   7.826  -6.946
  466   HG21  VAL  64          HG21      VAL  64   5.451   9.908  -5.368
  467   HG22  VAL  64          HG22      VAL  64   4.216  11.166  -5.307
  468   HG23  VAL  64          HG23      VAL  64   4.524  10.306  -6.815
  469    H    ALA  65           H        ALA  65   1.349   9.337  -3.537
  470    HA   ALA  65           HA       ALA  65   0.064   6.860  -3.558
  471    HB1  ALA  65           HB1      ALA  65   0.859   7.976  -1.526
  472    HB2  ALA  65           HB2      ALA  65  -0.823   7.471  -1.392
  473    HB3  ALA  65           HB3      ALA  65  -0.431   9.169  -1.688
  474    H    GLY  66           H        GLY  66  -1.145  10.020  -4.422
  475    HA2  GLY  66           HA2      GLY  66  -3.896   9.108  -4.463
  476    HA3  GLY  66           HA3      GLY  66  -3.317  10.707  -4.903
  477    H    ARG  67           H        ARG  67  -1.290   8.861  -6.545
  478    HA   ARG  67           HA       ARG  67  -2.879   9.073  -8.986
  479    HB2  ARG  67           HB2      ARG  67  -0.665  10.133  -8.943
  480    HB3  ARG  67           HB3      ARG  67   0.077   8.587  -8.573
  481    HG2  ARG  67           HG2      ARG  67  -0.601   7.732 -10.752
  482    HG3  ARG  67           HG3      ARG  67  -1.381   9.271 -11.119
  483    HD2  ARG  67           HD2      ARG  67   0.795   9.185 -12.167
  484    HD3  ARG  67           HD3      ARG  67   0.791  10.401 -10.895
  485    HE   ARG  67           HE       ARG  67   1.969   7.715 -10.627
  486   HH11  ARG  67          HH11      ARG  67   2.017  11.194  -9.855
  487   HH12  ARG  67          HH12      ARG  67   3.544  11.150  -9.100
  488   HH21  ARG  67          HH21      ARG  67   4.063   7.673  -9.614
  489   HH22  ARG  67          HH22      ARG  67   4.769   9.095  -8.991
  490    H    VAL  68           H        VAL  68  -1.410   6.753  -6.899
  491    HA   VAL  68           HA       VAL  68  -1.632   4.600  -8.770
  492    HB   VAL  68           HB       VAL  68  -0.997   3.139  -6.797
  493   HG11  VAL  68          HG11      VAL  68   1.297   4.002  -6.687
  494   HG12  VAL  68          HG12      VAL  68   0.748   5.525  -7.386
  495   HG13  VAL  68          HG13      VAL  68   0.659   4.037  -8.331
  496   HG21  VAL  68          HG21      VAL  68  -0.207   4.231  -4.752
  497   HG22  VAL  68          HG22      VAL  68  -1.921   4.586  -5.000
  498   HG23  VAL  68          HG23      VAL  68  -0.699   5.798  -5.391
  499    H    ASP  69           H        ASP  69  -3.390   3.731  -9.325
  500    HA   ASP  69           HA       ASP  69  -5.836   4.085  -7.784
  501    HB2  ASP  69           HB2      ASP  69  -5.779   4.612 -10.187
  502    HB3  ASP  69           HB3      ASP  69  -5.327   2.953 -10.542
  503    H    THR  70           H        THR  70  -3.533   1.613  -8.549
  504    HA   THR  70           HA       THR  70  -5.262  -0.366  -7.264
  505    HB   THR  70           HB       THR  70  -4.020  -2.075  -8.627
  506    HG1  THR  70           HG1      THR  70  -3.235  -0.363 -10.608
  507   HG21  THR  70          HG21      THR  70  -5.537   0.015 -10.203
  508   HG22  THR  70          HG22      THR  70  -6.248  -1.333  -9.311
  509   HG23  THR  70          HG23      THR  70  -5.239  -1.643 -10.722
  510    HA   PRO  71           HA       PRO  71  -2.146  -0.899  -4.121
  511    HB2  PRO  71           HB2      PRO  71  -2.577  -3.825  -4.352
  512    HB3  PRO  71           HB3      PRO  71  -2.767  -2.759  -2.965
  513    HG2  PRO  71           HG2      PRO  71  -4.898  -3.740  -4.239
  514    HG3  PRO  71           HG3      PRO  71  -4.896  -2.106  -3.551
  515    HD2  PRO  71           HD2      PRO  71  -4.595  -2.975  -6.389
  516    HD3  PRO  71           HD3      PRO  71  -5.457  -1.574  -5.723
  517    H    ARG  72           H        ARG  72  -2.060  -2.915  -6.957
  518    HA   ARG  72           HA       ARG  72   0.443  -4.108  -6.886
  519    HB2  ARG  72           HB2      ARG  72  -1.400  -4.352  -8.580
  520    HB3  ARG  72           HB3      ARG  72  -0.873  -2.841  -9.284
  521    HG2  ARG  72           HG2      ARG  72   1.225  -3.828  -9.929
  522    HG3  ARG  72           HG3      ARG  72   0.803  -5.337  -9.095
  523    HD2  ARG  72           HD2      ARG  72  -1.202  -5.513 -10.526
  524    HD3  ARG  72           HD3      ARG  72  -0.662  -4.094 -11.412
  525    HE   ARG  72           HE       ARG  72   1.400  -5.937 -11.492
  526   HH11  ARG  72          HH11      ARG  72  -1.887  -5.536 -12.743
  527   HH12  ARG  72          HH12      ARG  72  -1.716  -6.725 -13.956
  528   HH21  ARG  72          HH21      ARG  72   1.670  -7.421 -13.240
  529   HH22  ARG  72          HH22      ARG  72   0.384  -7.733 -14.335
  530    H    GLU  73           H        GLU  73  -0.481  -0.949  -8.133
  531    HA   GLU  73           HA       GLU  73   2.068  -0.088  -8.900
  532    HB2  GLU  73           HB2      GLU  73  -0.388   1.504  -8.204
  533    HB3  GLU  73           HB3      GLU  73   1.011   2.103  -9.086
  534    HG2  GLU  73           HG2      GLU  73  -0.794  -0.125  -9.985
  535    HG3  GLU  73           HG3      GLU  73  -0.852   1.542 -10.556
  536    H    LEU  74           H        LEU  74   0.230   0.251  -5.945
  537    HA   LEU  74           HA       LEU  74   1.931   2.168  -4.707
  538    HB2  LEU  74           HB2      LEU  74  -0.488   1.720  -4.114
  539    HB3  LEU  74           HB3      LEU  74   0.007   0.211  -3.398
  540    HG   LEU  74           HG       LEU  74  -0.526   2.056  -1.774
  541   HD11  LEU  74          HD11      LEU  74   2.287   1.003  -1.604
  542   HD12  LEU  74          HD12      LEU  74   0.827   0.199  -1.023
  543   HD13  LEU  74          HD13      LEU  74   1.360   1.704  -0.275
  544   HD21  LEU  74          HD21      LEU  74   0.371   3.925  -3.011
  545   HD22  LEU  74          HD22      LEU  74   2.001   3.272  -2.859
  546   HD23  LEU  74          HD23      LEU  74   1.138   3.824  -1.424
  547    H    LEU  75           H        LEU  75   1.683  -1.350  -4.517
  548    HA   LEU  75           HA       LEU  75   3.711  -1.870  -2.666
  549    HB2  LEU  75           HB2      LEU  75   2.167  -3.577  -3.461
  550    HB3  LEU  75           HB3      LEU  75   2.852  -3.484  -5.069
  551    HG   LEU  75           HG       LEU  75   4.991  -4.357  -4.191
  552   HD11  LEU  75          HD11      LEU  75   5.069  -5.331  -1.946
  553   HD12  LEU  75          HD12      LEU  75   3.473  -4.661  -1.609
  554   HD13  LEU  75          HD13      LEU  75   4.835  -3.585  -1.906
  555   HD21  LEU  75          HD21      LEU  75   4.224  -6.660  -3.828
  556   HD22  LEU  75          HD22      LEU  75   3.366  -5.886  -5.160
  557   HD23  LEU  75          HD23      LEU  75   2.579  -6.068  -3.592
  558    H    ASP  76           H        ASP  76   3.823  -1.497  -6.159
  559    HA   ASP  76           HA       ASP  76   6.545  -2.139  -6.449
  560    HB2  ASP  76           HB2      ASP  76   4.776  -2.120  -8.268
  561    HB3  ASP  76           HB3      ASP  76   4.981  -0.370  -8.324
  562    H    LEU  77           H        LEU  77   4.911   0.856  -5.718
  563    HA   LEU  77           HA       LEU  77   7.003   2.701  -6.166
  564    HB2  LEU  77           HB2      LEU  77   4.920   2.755  -3.984
  565    HB3  LEU  77           HB3      LEU  77   5.900   4.109  -4.492
  566    HG   LEU  77           HG       LEU  77   3.817   2.739  -6.176
  567   HD11  LEU  77          HD11      LEU  77   3.766   5.357  -4.693
  568   HD12  LEU  77          HD12      LEU  77   2.850   3.910  -4.282
  569   HD13  LEU  77          HD13      LEU  77   2.513   4.767  -5.783
  570   HD21  LEU  77          HD21      LEU  77   5.611   3.745  -7.508
  571   HD22  LEU  77          HD22      LEU  77   5.404   5.268  -6.641
  572   HD23  LEU  77          HD23      LEU  77   4.110   4.656  -7.672
  573    H    ILE  78           H        ILE  78   6.094   0.819  -3.339
  574    HA   ILE  78           HA       ILE  78   8.086   1.721  -1.552
  575    HB   ILE  78           HB       ILE  78   6.841  -1.050  -1.624
  576   HG12  ILE  78          HG12      ILE  78   5.065   0.662  -1.653
  577   HG13  ILE  78          HG13      ILE  78   5.097  -0.195  -0.121
  578   HG21  ILE  78          HG21      ILE  78   8.025   0.530   0.657
  579   HG22  ILE  78          HG22      ILE  78   8.740  -0.881  -0.125
  580   HG23  ILE  78          HG23      ILE  78   7.248  -1.049   0.797
  581   HD11  ILE  78          HD11      ILE  78   6.210   2.557  -0.638
  582   HD12  ILE  78          HD12      ILE  78   6.236   1.709   0.910
  583   HD13  ILE  78          HD13      ILE  78   4.700   2.179   0.189
  584    H    ASN  79           H        ASN  79   7.891  -0.953  -3.809
  585    HA   ASN  79           HA       ASN  79  10.373  -2.198  -3.290
  586    HB2  ASN  79           HB2      ASN  79   8.711  -2.132  -5.819
  587    HB3  ASN  79           HB3      ASN  79  10.230  -2.995  -5.731
  588   HD21  ASN  79          HD21      ASN  79   7.806  -2.888  -3.120
  589   HD22  ASN  79          HD22      ASN  79   7.372  -4.558  -3.287
  590    H    GLY  80           H        GLY  80   9.498   0.240  -5.716
  591    HA2  GLY  80           HA2      GLY  80  11.971   0.531  -6.946
  592    HA3  GLY  80           HA3      GLY  80  10.719   1.758  -6.890
  593    H    ALA  81           H        ALA  81  10.736   2.169  -4.076
  594    HA   ALA  81           HA       ALA  81  12.878   4.026  -3.936
  595    HB1  ALA  81           HB1      ALA  81  11.062   3.065  -1.722
  596    HB2  ALA  81           HB2      ALA  81  10.734   4.415  -2.811
  597    HB3  ALA  81           HB3      ALA  81  12.079   4.504  -1.676
  598    H    LEU  82           H        LEU  82  12.303   0.887  -2.439
  599    HA   LEU  82           HA       LEU  82  14.710   0.855  -0.925
  600    HB2  LEU  82           HB2      LEU  82  12.887  -1.375  -1.829
  601    HB3  LEU  82           HB3      LEU  82  14.227  -1.600  -0.720
  602    HG   LEU  82           HG       LEU  82  11.859   0.202  -0.179
  603   HD11  LEU  82          HD11      LEU  82  11.162  -2.137  -0.256
  604   HD12  LEU  82          HD12      LEU  82  11.136  -1.520   1.396
  605   HD13  LEU  82          HD13      LEU  82  12.455  -2.565   0.866
  606   HD21  LEU  82          HD21      LEU  82  14.093  -0.769   1.597
  607   HD22  LEU  82          HD22      LEU  82  12.721   0.210   2.112
  608   HD23  LEU  82          HD23      LEU  82  13.898   0.865   0.972
  609    H    ALA  83           H        ALA  83  13.837  -0.128  -4.142
  610    HA   ALA  83           HA       ALA  83  16.203  -1.489  -4.807
  611    HB1  ALA  83           HB1      ALA  83  14.153  -1.650  -6.140
  612    HB2  ALA  83           HB2      ALA  83  15.537  -1.186  -7.125
  613    HB3  ALA  83           HB3      ALA  83  14.351   0.029  -6.639
  614    H    GLU  84           H        GLU  84  15.382   1.919  -4.831
  615    HA   GLU  84           HA       GLU  84  17.787   2.709  -6.165
  616    HB2  GLU  84           HB2      GLU  84  15.694   4.275  -4.678
  617    HB3  GLU  84           HB3      GLU  84  17.129   5.030  -5.355
  618    HG2  GLU  84           HG2      GLU  84  15.019   3.531  -6.880
  619    HG3  GLU  84           HG3      GLU  84  15.242   5.282  -6.838
  620    H    ALA  85           H        ALA  85  16.691   3.001  -2.792
  621    HA   ALA  85           HA       ALA  85  19.494   3.505  -2.110
  622    HB1  ALA  85           HB1      ALA  85  17.983   5.353  -1.572
  623    HB2  ALA  85           HB2      ALA  85  18.674   4.642  -0.113
  624    HB3  ALA  85           HB3      ALA  85  17.014   4.269  -0.576
  625    H    ALA  86           H        ALA  86  20.325   1.548  -1.681
  626    HA   ALA  86           HA       ALA  86  19.684   0.294   0.772
  627    HB1  ALA  86           HB1      ALA  86  17.915  -0.759  -0.583
  628    HB2  ALA  86           HB2      ALA  86  19.130  -1.931  -0.072
  629    HB3  ALA  86           HB3      ALA  86  19.137  -1.316  -1.726
  630    H28  SXA  87          H28A      SXA  87 -11.623  12.170   0.185
  631   H28A  SXA  87          H28B      SXA  87 -11.038  10.684   0.931
  632    H30  SXA  87          H30A      SXA  87 -11.179  10.493   3.446
  633   H30A  SXA  87          H30B      SXA  87 -12.137  11.663   4.359
  634   H30B  SXA  87          H30C      SXA  87 -10.593  12.141   3.651
  635    H31  SXA  87          H31A      SXA  87 -13.283  13.543   3.142
  636   H31A  SXA  87          H31B      SXA  87 -13.062  13.712   1.401
  637   H31B  SXA  87          H31C      SXA  87 -11.713  14.018   2.494
  638    H32  SXA  87          H32A      SXA  87 -13.173  10.101   1.516
  639   HO33  SXA  87          H33A      SXA  87 -15.056  11.981   1.487
  640   HN36  SXA  87          H36A      SXA  87 -13.199   9.390   3.728
  641    H37  SXA  87          H37A      SXA  87 -15.026  10.377   5.756
  642   H37A  SXA  87          H37B      SXA  87 -15.687   9.063   4.823
  643    H38  SXA  87          H38A      SXA  87 -14.838   8.020   6.643
  644   H38A  SXA  87          H38B      SXA  87 -13.613   7.701   5.386
  645   HN41  SXA  87          H41A      SXA  87 -13.340  10.859   6.355
  646    H42  SXA  87          H42A      SXA  87 -12.452  11.270   8.774
  647   H42A  SXA  87          H42B      SXA  87 -11.083  10.355   8.124
  648    H43  SXA  87          H43A      SXA  87 -10.779  12.029   6.397
  649   H43A  SXA  87          H43B      SXA  87 -10.858  12.877   7.961
  650    H2   SXA  87           H2C      SXA  87 -14.678  15.279   7.347
  651    H2A  SXA  87           H2A      SXA  87 -15.194  14.682   8.931
  652    H2B  SXA  87           H2B      SXA  87 -15.492  13.713   7.480
  Start of MODEL    6
    1    H1   MET   1           H1       MET   1  20.662  -4.206  -2.231
    2    H2   MET   1           H2       MET   1  20.031  -4.442  -0.688
    3    H3   MET   1           H3       MET   1  19.369  -3.255  -1.677
    4    HA   MET   1           HA       MET   1  18.538  -4.894  -3.162
    5    HB2  MET   1           HB2      MET   1  19.650  -6.831  -1.104
    6    HB3  MET   1           HB3      MET   1  18.507  -7.288  -2.359
    7    HG2  MET   1           HG2      MET   1  20.122  -6.655  -4.077
    8    HG3  MET   1           HG3      MET   1  21.261  -6.167  -2.829
    9    HE1  MET   1           HE1      MET   1  22.489  -7.871  -1.193
   10    HE2  MET   1           HE2      MET   1  22.175  -9.605  -1.172
   11    HE3  MET   1           HE3      MET   1  20.923  -8.477  -0.652
   12    H    ALA   2           H        ALA   2  18.576  -5.155   0.386
   13    HA   ALA   2           HA       ALA   2  17.050  -4.719   1.943
   14    HB1  ALA   2           HB1      ALA   2  15.493  -3.311  -0.235
   15    HB2  ALA   2           HB2      ALA   2  16.760  -2.580   0.746
   16    HB3  ALA   2           HB3      ALA   2  15.265  -3.124   1.505
   17    H    THR   3           H        THR   3  14.362  -4.731   2.073
   18    HA   THR   3           HA       THR   3  13.730  -7.488   1.353
   19    HB   THR   3           HB       THR   3  12.273  -5.573   3.186
   20    HG1  THR   3           HG1      THR   3  14.268  -5.670   4.044
   21   HG21  THR   3          HG21      THR   3  11.070  -7.626   2.549
   22   HG22  THR   3          HG22      THR   3  11.515  -7.655   4.257
   23   HG23  THR   3          HG23      THR   3  12.446  -8.594   3.087
   24    H    LEU   4           H        LEU   4  12.779  -7.422  -0.708
   25    HA   LEU   4           HA       LEU   4  11.069  -5.212  -1.435
   26    HB2  LEU   4           HB2      LEU   4  11.707  -7.766  -2.926
   27    HB3  LEU   4           HB3      LEU   4  10.771  -6.433  -3.565
   28    HG   LEU   4           HG       LEU   4  13.702  -6.365  -2.847
   29   HD11  LEU   4          HD11      LEU   4  12.290  -6.243  -5.502
   30   HD12  LEU   4          HD12      LEU   4  13.223  -7.601  -4.877
   31   HD13  LEU   4          HD13      LEU   4  14.027  -6.073  -5.246
   32   HD21  LEU   4          HD21      LEU   4  12.645  -4.207  -2.389
   33   HD22  LEU   4          HD22      LEU   4  11.942  -4.200  -4.008
   34   HD23  LEU   4          HD23      LEU   4  13.691  -4.106  -3.806
   35    H    LEU   5           H        LEU   5   8.939  -5.217  -1.372
   36    HA   LEU   5           HA       LEU   5   7.760  -7.344   0.206
   37    HB2  LEU   5           HB2      LEU   5   6.542  -4.750  -0.672
   38    HB3  LEU   5           HB3      LEU   5   5.889  -5.864   0.506
   39    HG   LEU   5           HG       LEU   5   8.345  -4.167   0.768
   40   HD11  LEU   5          HD11      LEU   5   7.106  -3.185   2.626
   41   HD12  LEU   5          HD12      LEU   5   5.733  -4.227   2.254
   42   HD13  LEU   5          HD13      LEU   5   6.255  -3.005   1.092
   43   HD21  LEU   5          HD21      LEU   5   8.587  -5.132   3.009
   44   HD22  LEU   5          HD22      LEU   5   8.779  -6.355   1.752
   45   HD23  LEU   5          HD23      LEU   5   7.274  -6.257   2.666
   46    H    THR   6           H        THR   6   6.035  -8.514  -0.320
   47    HA   THR   6           HA       THR   6   5.157  -8.402  -3.086
   48    HB   THR   6           HB       THR   6   4.462 -10.807  -2.741
   49    HG1  THR   6           HG1      THR   6   6.244 -10.900  -0.564
   50   HG21  THR   6          HG21      THR   6   7.409 -10.211  -2.402
   51   HG22  THR   6          HG22      THR   6   6.536 -10.258  -3.932
   52   HG23  THR   6          HG23      THR   6   6.733 -11.733  -2.984
   53    H    THR   7           H        THR   7   2.870  -9.860  -2.893
   54    HA   THR   7           HA       THR   7   0.897  -8.143  -2.204
   55    HB   THR   7           HB       THR   7   0.778 -11.164  -2.179
   56    HG1  THR   7           HG1      THR   7   0.146 -10.696  -4.473
   57   HG21  THR   7          HG21      THR   7  -1.265 -10.086  -1.296
   58   HG22  THR   7          HG22      THR   7  -1.565 -10.839  -2.860
   59   HG23  THR   7          HG23      THR   7  -1.362  -9.092  -2.746
   60    H    ASP   8           H        ASP   8   2.441 -10.518  -0.079
   61    HA   ASP   8           HA       ASP   8   0.516 -10.456   1.963
   62    HB2  ASP   8           HB2      ASP   8   3.393 -11.319   1.998
   63    HB3  ASP   8           HB3      ASP   8   2.408 -11.334   3.458
   64    H    ASP   9           H        ASP   9   3.627  -8.628   1.835
   65    HA   ASP   9           HA       ASP   9   2.995  -7.344   4.317
   66    HB2  ASP   9           HB2      ASP   9   5.338  -7.498   2.952
   67    HB3  ASP   9           HB3      ASP   9   4.820  -5.864   2.535
   68    H    LEU  10           H        LEU  10   2.493  -6.638   1.029
   69    HA   LEU  10           HA       LEU  10   1.570  -3.987   1.207
   70    HB2  LEU  10           HB2      LEU  10   2.029  -5.193  -0.916
   71    HB3  LEU  10           HB3      LEU  10   0.611  -6.183  -0.640
   72    HG   LEU  10           HG       LEU  10  -0.795  -4.139  -0.816
   73   HD11  LEU  10          HD11      LEU  10   1.785  -2.820  -1.644
   74   HD12  LEU  10          HD12      LEU  10   0.860  -2.475  -0.183
   75   HD13  LEU  10          HD13      LEU  10   0.176  -2.109  -1.767
   76   HD21  LEU  10          HD21      LEU  10  -0.473  -5.608  -2.732
   77   HD22  LEU  10          HD22      LEU  10   0.988  -4.725  -3.177
   78   HD23  LEU  10          HD23      LEU  10  -0.582  -3.925  -3.247
   79    H    ARG  11           H        ARG  11  -0.285  -7.027   1.200
   80    HA   ARG  11           HA       ARG  11  -2.829  -6.125   1.759
   81    HB2  ARG  11           HB2      ARG  11  -2.291  -8.432   1.189
   82    HB3  ARG  11           HB3      ARG  11  -1.496  -8.648   2.740
   83    HG2  ARG  11           HG2      ARG  11  -3.706  -8.186   3.832
   84    HG3  ARG  11           HG3      ARG  11  -4.430  -8.235   2.220
   85    HD2  ARG  11           HD2      ARG  11  -4.644 -10.398   3.281
   86    HD3  ARG  11           HD3      ARG  11  -3.531 -10.506   1.911
   87    HE   ARG  11           HE       ARG  11  -2.576 -10.142   4.639
   88   HH11  ARG  11          HH11      ARG  11  -2.685 -12.136   1.725
   89   HH12  ARG  11          HH12      ARG  11  -1.379 -13.132   2.169
   90   HH21  ARG  11          HH21      ARG  11  -0.723 -11.426   5.206
   91   HH22  ARG  11          HH22      ARG  11  -0.170 -12.667   4.135
   92    H    ARG  12           H        ARG  12  -0.418  -7.252   4.145
   93    HA   ARG  12           HA       ARG  12  -1.959  -6.680   6.423
   94    HB2  ARG  12           HB2      ARG  12   0.059  -6.882   7.730
   95    HB3  ARG  12           HB3      ARG  12  -0.023  -8.161   6.521
   96    HG2  ARG  12           HG2      ARG  12   1.478  -6.856   5.127
   97    HG3  ARG  12           HG3      ARG  12   1.471  -5.667   6.445
   98    HD2  ARG  12           HD2      ARG  12   2.382  -8.534   6.753
   99    HD3  ARG  12           HD3      ARG  12   3.492  -7.228   6.370
  100    HE   ARG  12           HE       ARG  12   1.890  -7.296   8.840
  101   HH11  ARG  12          HH11      ARG  12   4.989  -6.725   7.146
  102   HH12  ARG  12          HH12      ARG  12   5.874  -6.404   8.541
  103   HH21  ARG  12          HH21      ARG  12   3.136  -6.898  10.790
  104   HH22  ARG  12          HH22      ARG  12   4.794  -6.451  10.673
  105    H    ALA  13           H        ALA  13   0.074  -4.577   4.577
  106    HA   ALA  13           HA       ALA  13   0.064  -2.449   6.453
  107    HB1  ALA  13           HB1      ALA  13   0.821  -1.056   4.600
  108    HB2  ALA  13           HB2      ALA  13   0.413  -2.341   3.460
  109    HB3  ALA  13           HB3      ALA  13   1.703  -2.582   4.639
  110    H    LEU  14           H        LEU  14  -1.918  -3.165   3.602
  111    HA   LEU  14           HA       LEU  14  -3.569  -0.891   3.804
  112    HB2  LEU  14           HB2      LEU  14  -3.876  -3.521   2.400
  113    HB3  LEU  14           HB3      LEU  14  -5.258  -2.465   2.527
  114    HG   LEU  14           HG       LEU  14  -3.890  -0.706   1.323
  115   HD11  LEU  14          HD11      LEU  14  -2.060  -3.012   0.768
  116   HD12  LEU  14          HD12      LEU  14  -1.676  -1.569   1.707
  117   HD13  LEU  14          HD13      LEU  14  -2.012  -1.434  -0.019
  118   HD21  LEU  14          HD21      LEU  14  -4.492  -3.282  -0.093
  119   HD22  LEU  14          HD22      LEU  14  -4.229  -1.731  -0.882
  120   HD23  LEU  14          HD23      LEU  14  -5.609  -1.951   0.196
  121    H    VAL  15           H        VAL  15  -3.978  -4.167   5.032
  122    HA   VAL  15           HA       VAL  15  -6.551  -3.854   6.134
  123    HB   VAL  15           HB       VAL  15  -4.300  -5.699   7.032
  124   HG11  VAL  15          HG11      VAL  15  -5.955  -5.436   8.822
  125   HG12  VAL  15          HG12      VAL  15  -6.051  -7.048   8.111
  126   HG13  VAL  15          HG13      VAL  15  -7.250  -5.824   7.689
  127   HG21  VAL  15          HG21      VAL  15  -5.006  -6.055   4.723
  128   HG22  VAL  15          HG22      VAL  15  -6.684  -6.181   5.244
  129   HG23  VAL  15          HG23      VAL  15  -5.512  -7.401   5.745
  130    H    GLU  16           H        GLU  16  -3.391  -3.645   7.773
  131    HA   GLU  16           HA       GLU  16  -4.500  -2.858  10.215
  132    HB2  GLU  16           HB2      GLU  16  -1.709  -2.708   9.155
  133    HB3  GLU  16           HB3      GLU  16  -2.133  -2.116  10.757
  134    HG2  GLU  16           HG2      GLU  16  -2.574  -4.920   9.765
  135    HG3  GLU  16           HG3      GLU  16  -1.253  -4.397  10.817
  136    H    SER  17           H        SER  17  -3.486  -0.875   7.470
  137    HA   SER  17           HA       SER  17  -3.662   1.488   9.066
  138    HB2  SER  17           HB2      SER  17  -2.173   1.371   7.065
  139    HB3  SER  17           HB3      SER  17  -3.615   1.300   6.045
  140    HG   SER  17           HG       SER  17  -4.195   3.345   7.124
  141    H    ALA  18           H        ALA  18  -5.904  -0.450   7.309
  142    HA   ALA  18           HA       ALA  18  -7.925   1.556   7.121
  143    HB1  ALA  18           HB1      ALA  18  -8.178  -1.465   7.093
  144    HB2  ALA  18           HB2      ALA  18  -7.985  -0.440   5.672
  145    HB3  ALA  18           HB3      ALA  18  -9.449  -0.329   6.646
  146    H    GLY  19           H        GLY  19  -7.125  -1.062   9.334
  147    HA2  GLY  19           HA2      GLY  19  -7.357  -1.142  11.643
  148    HA3  GLY  19           HA3      GLY  19  -8.113   0.446  11.589
  149    H    GLU  20           H        GLU  20 -10.268   0.426  10.547
  150    HA   GLU  20           HA       GLU  20 -12.109  -1.093  11.996
  151    HB2  GLU  20           HB2      GLU  20 -12.481   0.398   9.384
  152    HB3  GLU  20           HB3      GLU  20 -13.775  -0.096  10.478
  153    HG2  GLU  20           HG2      GLU  20 -12.957   1.360  12.200
  154    HG3  GLU  20           HG3      GLU  20 -11.528   1.744  11.256
  155    H    THR  21           H        THR  21 -12.320  -3.130  11.847
  156    HA   THR  21           HA       THR  21 -11.205  -4.546   9.640
  157    HB   THR  21           HB       THR  21 -12.475  -5.702  12.118
  158    HG1  THR  21           HG1      THR  21 -10.502  -3.979  11.940
  159   HG21  THR  21          HG21      THR  21 -11.888  -7.295  10.301
  160   HG22  THR  21          HG22      THR  21 -10.850  -7.508  11.715
  161   HG23  THR  21          HG23      THR  21 -10.241  -6.660  10.294
  162    H    ASP  22           H        ASP  22 -12.957  -3.616   8.275
  163    HA   ASP  22           HA       ASP  22 -15.370  -5.234   8.191
  164    HB2  ASP  22           HB2      ASP  22 -15.538  -2.907   7.429
  165    HB3  ASP  22           HB3      ASP  22 -14.248  -3.167   6.262
  166    H    GLY  23           H        GLY  23 -12.869  -4.540   5.749
  167    HA2  GLY  23           HA2      GLY  23 -11.253  -6.021   4.988
  168    HA3  GLY  23           HA3      GLY  23 -12.113  -7.338   5.762
  169    H    THR  24           H        THR  24 -11.252  -6.057   2.874
  170    HA   THR  24           HA       THR  24 -13.395  -7.488   1.567
  171    HB   THR  24           HB       THR  24 -12.345  -6.198  -0.498
  172    HG1  THR  24           HG1      THR  24 -11.741  -4.014   0.558
  173   HG21  THR  24          HG21      THR  24 -14.633  -5.855   0.343
  174   HG22  THR  24          HG22      THR  24 -13.885  -4.318  -0.087
  175   HG23  THR  24          HG23      THR  24 -14.009  -4.796   1.609
  176    H    ASP  25           H        ASP  25 -12.161  -8.159  -0.838
  177    HA   ASP  25           HA       ASP  25 -10.498 -10.300   0.131
  178    HB2  ASP  25           HB2      ASP  25 -11.705  -9.760  -2.556
  179    HB3  ASP  25           HB3      ASP  25 -10.514 -11.028  -2.318
  180    H    LEU  26           H        LEU  26  -8.690  -9.270   0.756
  181    HA   LEU  26           HA       LEU  26  -6.888  -8.352  -1.397
  182    HB2  LEU  26           HB2      LEU  26  -7.086  -7.646   1.519
  183    HB3  LEU  26           HB3      LEU  26  -5.579  -7.449   0.666
  184    HG   LEU  26           HG       LEU  26  -6.647  -5.808  -0.835
  185   HD11  LEU  26          HD11      LEU  26  -8.837  -4.910  -0.329
  186   HD12  LEU  26          HD12      LEU  26  -9.056  -6.127   0.930
  187   HD13  LEU  26          HD13      LEU  26  -8.937  -6.616  -0.761
  188   HD21  LEU  26          HD21      LEU  26  -6.974  -5.245   2.097
  189   HD22  LEU  26          HD22      LEU  26  -6.888  -4.039   0.814
  190   HD23  LEU  26          HD23      LEU  26  -5.496  -5.069   1.149
  191    H    SER  27           H        SER  27  -7.555 -11.079  -0.314
  192    HA   SER  27           HA       SER  27  -5.640 -12.014   1.463
  193    HB2  SER  27           HB2      SER  27  -7.120 -13.648  -0.569
  194    HB3  SER  27           HB3      SER  27  -6.561 -14.138   1.034
  195    HG   SER  27           HG       SER  27  -7.976 -12.250   1.722
  196    H    GLY  28           H        GLY  28  -5.739 -13.040  -1.720
  197    HA2  GLY  28           HA2      GLY  28  -2.789 -13.392  -1.591
  198    HA3  GLY  28           HA3      GLY  28  -3.838 -14.508  -2.451
  199    H    ASP  29           H        ASP  29  -5.426 -12.374  -3.644
  200    HA   ASP  29           HA       ASP  29  -3.462 -11.004  -5.302
  201    HB2  ASP  29           HB2      ASP  29  -3.911 -13.091  -6.501
  202    HB3  ASP  29           HB3      ASP  29  -5.641 -12.789  -6.411
  203    H    PHE  30           H        PHE  30  -4.029  -8.983  -5.337
  204    HA   PHE  30           HA       PHE  30  -6.790  -8.210  -5.816
  205    HB2  PHE  30           HB2      PHE  30  -7.022  -6.807  -3.850
  206    HB3  PHE  30           HB3      PHE  30  -6.686  -8.458  -3.346
  207    HD1  PHE  30           HD2      PHE  30  -4.317  -9.017  -2.617
  208    HD2  PHE  30           HD1      PHE  30  -5.669  -5.015  -3.118
  209    HE1  PHE  30           HE2      PHE  30  -2.448  -8.212  -1.243
  210    HE2  PHE  30           HE1      PHE  30  -3.802  -4.216  -1.743
  211    HZ   PHE  30           HZ       PHE  30  -2.255  -5.761  -0.745
  212    H    LEU  31           H        LEU  31  -3.742  -7.909  -6.560
  213    HA   LEU  31           HA       LEU  31  -3.137  -5.207  -6.323
  214    HB2  LEU  31           HB2      LEU  31  -1.954  -7.320  -8.091
  215    HB3  LEU  31           HB3      LEU  31  -1.384  -5.668  -8.101
  216    HG   LEU  31           HG       LEU  31  -0.885  -5.915  -5.640
  217   HD11  LEU  31          HD11      LEU  31  -2.301  -7.792  -5.104
  218   HD12  LEU  31          HD12      LEU  31  -0.619  -8.155  -4.721
  219   HD13  LEU  31          HD13      LEU  31  -1.360  -8.835  -6.169
  220   HD21  LEU  31          HD21      LEU  31   0.564  -7.751  -7.529
  221   HD22  LEU  31          HD22      LEU  31   1.185  -7.160  -5.985
  222   HD23  LEU  31          HD23      LEU  31   0.863  -6.027  -7.298
  223    H    ASP  32           H        ASP  32  -5.102  -6.790  -8.647
  224    HA   ASP  32           HA       ASP  32  -5.114  -4.463 -10.416
  225    HB2  ASP  32           HB2      ASP  32  -6.502  -7.144 -10.601
  226    HB3  ASP  32           HB3      ASP  32  -6.667  -5.863 -11.791
  227    H    LEU  33           H        LEU  33  -6.704  -5.464  -7.650
  228    HA   LEU  33           HA       LEU  33  -9.316  -4.464  -8.367
  229    HB2  LEU  33           HB2      LEU  33  -8.209  -5.344  -5.698
  230    HB3  LEU  33           HB3      LEU  33  -9.888  -4.963  -6.029
  231    HG   LEU  33           HG       LEU  33  -8.321  -7.288  -7.147
  232   HD11  LEU  33          HD11      LEU  33  -8.931  -7.560  -4.828
  233   HD12  LEU  33          HD12      LEU  33  -9.892  -8.638  -5.852
  234   HD13  LEU  33          HD13      LEU  33 -10.605  -7.155  -5.207
  235   HD21  LEU  33          HD21      LEU  33 -11.205  -6.515  -7.609
  236   HD22  LEU  33          HD22      LEU  33 -10.434  -8.006  -8.159
  237   HD23  LEU  33          HD23      LEU  33  -9.908  -6.451  -8.804
  238    H    ARG  34           H        ARG  34  -9.840  -2.387  -8.167
  239    HA   ARG  34           HA       ARG  34  -7.701  -0.617  -7.429
  240    HB2  ARG  34           HB2      ARG  34 -10.491   0.139  -8.309
  241    HB3  ARG  34           HB3      ARG  34  -9.082   1.194  -8.253
  242    HG2  ARG  34           HG2      ARG  34  -8.004  -0.463  -9.872
  243    HG3  ARG  34           HG3      ARG  34  -9.637  -1.096 -10.087
  244    HD2  ARG  34           HD2      ARG  34  -8.732   1.727 -10.595
  245    HD3  ARG  34           HD3      ARG  34  -9.048   0.508 -11.816
  246    HE   ARG  34           HE       ARG  34 -11.400   0.577 -10.837
  247   HH11  ARG  34          HH11      ARG  34  -9.227   3.382 -10.721
  248   HH12  ARG  34          HH12      ARG  34 -10.408   4.527 -11.157
  249   HH21  ARG  34          HH21      ARG  34 -13.077   2.221 -11.534
  250   HH22  ARG  34          HH22      ARG  34 -12.604   3.845 -11.666
  251    H    PHE  35           H        PHE  35  -7.625   0.850  -5.845
  252    HA   PHE  35           HA       PHE  35  -8.464   0.122  -3.330
  253    HB2  PHE  35           HB2      PHE  35  -7.656   2.842  -4.322
  254    HB3  PHE  35           HB3      PHE  35  -7.901   2.455  -2.626
  255    HD1  PHE  35           HD2      PHE  35  -6.389   0.840  -1.508
  256    HD2  PHE  35           HD1      PHE  35  -5.699   2.215  -5.470
  257    HE1  PHE  35           HE2      PHE  35  -4.078   0.025  -1.386
  258    HE2  PHE  35           HE1      PHE  35  -3.385   1.394  -5.352
  259    HZ   PHE  35           HZ       PHE  35  -2.529   0.448  -3.227
  260    H    GLU  36           H        GLU  36  -9.931   2.630  -5.369
  261    HA   GLU  36           HA       GLU  36 -11.933   3.400  -3.573
  262    HB2  GLU  36           HB2      GLU  36 -13.180   4.239  -5.526
  263    HB3  GLU  36           HB3      GLU  36 -11.490   4.718  -5.531
  264    HG2  GLU  36           HG2      GLU  36 -10.956   3.198  -7.240
  265    HG3  GLU  36           HG3      GLU  36 -12.501   2.356  -7.073
  266    H    ASP  37           H        ASP  37 -11.729   0.620  -5.584
  267    HA   ASP  37           HA       ASP  37 -14.549  -0.018  -5.498
  268    HB2  ASP  37           HB2      ASP  37 -13.326  -0.572  -7.497
  269    HB3  ASP  37           HB3      ASP  37 -12.144  -1.492  -6.578
  270    H    ILE  38           H        ILE  38 -11.635  -0.839  -3.803
  271    HA   ILE  38           HA       ILE  38 -13.054  -2.949  -2.397
  272    HB   ILE  38           HB       ILE  38 -10.872  -3.507  -1.304
  273   HG12  ILE  38          HG12      ILE  38  -9.748  -1.455  -3.242
  274   HG13  ILE  38          HG13      ILE  38  -9.813  -1.273  -1.496
  275   HG21  ILE  38          HG21      ILE  38 -10.911  -3.488  -4.315
  276   HG22  ILE  38          HG22      ILE  38 -11.626  -4.707  -3.257
  277   HG23  ILE  38          HG23      ILE  38  -9.871  -4.511  -3.320
  278   HD11  ILE  38          HD11      ILE  38  -8.207  -3.329  -3.004
  279   HD12  ILE  38          HD12      ILE  38  -8.268  -3.149  -1.250
  280   HD13  ILE  38          HD13      ILE  38  -7.589  -1.860  -2.245
  281    H    GLY  39           H        GLY  39 -13.364   0.022  -2.067
  282    HA2  GLY  39           HA2      GLY  39 -14.396   1.164  -0.311
  283    HA3  GLY  39           HA3      GLY  39 -13.960  -0.161   0.750
  284    H    TYR  40           H        TYR  40 -11.331   1.111  -1.012
  285    HA   TYR  40           HA       TYR  40 -10.318   2.141   1.473
  286    HB2  TYR  40           HB2      TYR  40  -9.021   1.292  -1.059
  287    HB3  TYR  40           HB3      TYR  40  -8.174   2.431  -0.023
  288    HD1  TYR  40           HD1      TYR  40 -10.115  -0.703   0.298
  289    HD2  TYR  40           HD2      TYR  40  -6.750   1.550   1.540
  290    HE1  TYR  40           HE1      TYR  40  -9.397  -2.573   1.634
  291    HE2  TYR  40           HE2      TYR  40  -5.977  -0.319   2.914
  292    HH   TYR  40           HH       TYR  40  -7.315  -3.442   2.624
  293    H    ASP  41           H        ASP  41 -10.224   4.034   2.058
  294    HA   ASP  41           HA       ASP  41 -11.015   6.238   0.361
  295    HB2  ASP  41           HB2      ASP  41 -11.624   5.921   2.890
  296    HB3  ASP  41           HB3      ASP  41  -9.908   6.330   3.086
  297    H    SER  42           H        SER  42  -9.708   8.117   0.362
  298    HA   SER  42           HA       SER  42  -7.145   7.791  -0.724
  299    HB2  SER  42           HB2      SER  42  -7.100  10.323  -0.398
  300    HB3  SER  42           HB3      SER  42  -8.399   9.665  -1.409
  301    H    LEU  43           H        LEU  43  -8.238   8.962   2.404
  302    HA   LEU  43           HA       LEU  43  -5.712   9.546   3.513
  303    HB2  LEU  43           HB2      LEU  43  -8.308   8.803   4.831
  304    HB3  LEU  43           HB3      LEU  43  -6.888   9.321   5.717
  305    HG   LEU  43           HG       LEU  43  -8.333  11.007   3.671
  306   HD11  LEU  43          HD11      LEU  43  -8.371  11.078   6.683
  307   HD12  LEU  43          HD12      LEU  43  -9.706  10.586   5.642
  308   HD13  LEU  43          HD13      LEU  43  -9.129  12.253   5.615
  309   HD21  LEU  43          HD21      LEU  43  -6.162  11.662   5.661
  310   HD22  LEU  43          HD22      LEU  43  -6.973  12.808   4.590
  311   HD23  LEU  43          HD23      LEU  43  -5.959  11.533   3.914
  312    H    ALA  44           H        ALA  44  -7.728   6.676   3.736
  313    HA   ALA  44           HA       ALA  44  -6.054   5.214   5.468
  314    HB1  ALA  44           HB1      ALA  44  -7.331   3.246   4.773
  315    HB2  ALA  44           HB2      ALA  44  -8.005   4.153   3.418
  316    HB3  ALA  44           HB3      ALA  44  -8.400   4.615   5.074
  317    H    LEU  45           H        LEU  45  -6.208   5.468   1.990
  318    HA   LEU  45           HA       LEU  45  -4.375   3.450   1.292
  319    HB2  LEU  45           HB2      LEU  45  -6.107   4.766  -0.076
  320    HB3  LEU  45           HB3      LEU  45  -4.892   6.009  -0.195
  321    HG   LEU  45           HG       LEU  45  -4.660   3.207  -1.292
  322   HD11  LEU  45          HD11      LEU  45  -5.222   5.835  -2.630
  323   HD12  LEU  45          HD12      LEU  45  -6.337   4.483  -2.365
  324   HD13  LEU  45          HD13      LEU  45  -4.957   4.280  -3.443
  325   HD21  LEU  45          HD21      LEU  45  -2.877   5.612  -1.721
  326   HD22  LEU  45          HD22      LEU  45  -2.719   4.040  -2.511
  327   HD23  LEU  45          HD23      LEU  45  -2.465   4.183  -0.769
  328    H    MET  46           H        MET  46  -4.009   6.970   1.692
  329    HA   MET  46           HA       MET  46  -1.239   7.078   1.164
  330    HB2  MET  46           HB2      MET  46  -2.957   8.967   2.779
  331    HB3  MET  46           HB3      MET  46  -1.285   9.285   2.345
  332    HG2  MET  46           HG2      MET  46  -1.899   9.123   0.005
  333    HG3  MET  46           HG3      MET  46  -3.593   8.926   0.468
  334    HE1  MET  46           HE1      MET  46  -4.988  10.839   1.739
  335    HE2  MET  46           HE2      MET  46  -4.308  12.403   2.188
  336    HE3  MET  46           HE3      MET  46  -3.737  10.934   2.979
  337    H    GLU  47           H        GLU  47  -3.041   6.679   4.125
  338    HA   GLU  47           HA       GLU  47  -0.805   6.878   5.835
  339    HB2  GLU  47           HB2      GLU  47  -3.185   7.278   6.363
  340    HB3  GLU  47           HB3      GLU  47  -3.454   5.550   6.319
  341    HG2  GLU  47           HG2      GLU  47  -1.998   5.177   8.183
  342    HG3  GLU  47           HG3      GLU  47  -1.512   6.872   8.195
  343    H    THR  48           H        THR  48  -2.265   4.259   4.084
  344    HA   THR  48           HA       THR  48  -1.012   2.046   5.261
  345    HB   THR  48           HB       THR  48  -1.838   2.632   2.409
  346    HG1  THR  48           HG1      THR  48  -3.513   2.478   3.972
  347   HG21  THR  48          HG21      THR  48  -0.977  -0.013   3.587
  348   HG22  THR  48          HG22      THR  48  -0.118   0.923   2.357
  349   HG23  THR  48          HG23      THR  48  -1.691   0.215   1.987
  350    H    ALA  49           H        ALA  49  -0.095   3.963   2.424
  351    HA   ALA  49           HA       ALA  49   2.445   2.897   2.010
  352    HB1  ALA  49           HB1      ALA  49   1.250   4.246   0.358
  353    HB2  ALA  49           HB2      ALA  49   2.862   4.889   0.670
  354    HB3  ALA  49           HB3      ALA  49   1.447   5.671   1.379
  355    H    ALA  50           H        ALA  50   1.348   5.564   4.027
  356    HA   ALA  50           HA       ALA  50   3.805   6.608   4.806
  357    HB1  ALA  50           HB1      ALA  50   1.257   6.512   6.421
  358    HB2  ALA  50           HB2      ALA  50   1.663   7.727   5.209
  359    HB3  ALA  50           HB3      ALA  50   2.619   7.601   6.684
  360    H    ARG  51           H        ARG  51   1.934   3.943   6.241
  361    HA   ARG  51           HA       ARG  51   3.752   3.534   8.359
  362    HB2  ARG  51           HB2      ARG  51   1.737   1.647   7.144
  363    HB3  ARG  51           HB3      ARG  51   2.783   1.176   8.475
  364    HG2  ARG  51           HG2      ARG  51   1.869   3.118   9.760
  365    HG3  ARG  51           HG3      ARG  51   0.698   3.340   8.460
  366    HD2  ARG  51           HD2      ARG  51  -0.230   1.142   8.856
  367    HD3  ARG  51           HD3      ARG  51   1.023   0.792  10.049
  368    HE   ARG  51           HE       ARG  51  -0.313   3.144  10.767
  369   HH11  ARG  51          HH11      ARG  51  -0.782  -0.392  10.934
  370   HH12  ARG  51          HH12      ARG  51  -2.047  -0.254  12.095
  371   HH21  ARG  51          HH21      ARG  51  -1.969   3.224  12.369
  372   HH22  ARG  51          HH22      ARG  51  -2.741   1.812  12.894
  373    H    LEU  52           H        LEU  52   3.638   2.194   5.118
  374    HA   LEU  52           HA       LEU  52   5.857   0.463   5.544
  375    HB2  LEU  52           HB2      LEU  52   4.874   1.576   2.887
  376    HB3  LEU  52           HB3      LEU  52   5.963   0.211   3.115
  377    HG   LEU  52           HG       LEU  52   3.090   0.247   3.988
  378   HD11  LEU  52          HD11      LEU  52   2.772  -1.364   2.183
  379   HD12  LEU  52          HD12      LEU  52   4.455  -1.163   1.703
  380   HD13  LEU  52          HD13      LEU  52   3.330   0.189   1.554
  381   HD21  LEU  52          HD21      LEU  52   3.471  -2.134   4.412
  382   HD22  LEU  52          HD22      LEU  52   4.506  -1.123   5.423
  383   HD23  LEU  52          HD23      LEU  52   5.178  -1.934   4.010
  384    H    GLU  53           H        GLU  53   5.607   3.849   4.643
  385    HA   GLU  53           HA       GLU  53   8.285   4.362   3.999
  386    HB2  GLU  53           HB2      GLU  53   6.516   6.105   5.690
  387    HB3  GLU  53           HB3      GLU  53   8.000   6.612   4.919
  388    HG2  GLU  53           HG2      GLU  53   6.870   6.204   2.728
  389    HG3  GLU  53           HG3      GLU  53   5.373   5.949   3.639
  390    H    SER  54           H        SER  54   6.653   4.533   7.124
  391    HA   SER  54           HA       SER  54   8.910   5.099   8.648
  392    HB2  SER  54           HB2      SER  54   6.366   3.720   9.506
  393    HB3  SER  54           HB3      SER  54   7.489   4.601  10.544
  394    HG   SER  54           HG       SER  54   7.015   6.342   8.810
  395    H    ARG  55           H        ARG  55   7.343   2.022   7.903
  396    HA   ARG  55           HA       ARG  55   8.975   0.461   9.568
  397    HB2  ARG  55           HB2      ARG  55   6.758  -0.252   8.736
  398    HB3  ARG  55           HB3      ARG  55   7.433  -0.409   7.121
  399    HG2  ARG  55           HG2      ARG  55   8.951  -2.153   7.942
  400    HG3  ARG  55           HG3      ARG  55   8.236  -2.005   9.545
  401    HD2  ARG  55           HD2      ARG  55   6.784  -2.806   7.024
  402    HD3  ARG  55           HD3      ARG  55   7.315  -3.904   8.287
  403    HE   ARG  55           HE       ARG  55   5.782  -2.257   9.669
  404   HH11  ARG  55          HH11      ARG  55   5.075  -3.853   6.483
  405   HH12  ARG  55          HH12      ARG  55   3.432  -3.931   6.801
  406   HH21  ARG  55          HH21      ARG  55   3.560  -2.439  10.023
  407   HH22  ARG  55          HH22      ARG  55   2.493  -3.117   8.864
  408    H    TYR  56           H        TYR  56   9.268   1.153   6.050
  409    HA   TYR  56           HA       TYR  56  11.725  -0.442   6.089
  410    HB2  TYR  56           HB2      TYR  56   9.969   0.309   3.771
  411    HB3  TYR  56           HB3      TYR  56  11.478  -0.586   3.617
  412    HD1  TYR  56           HD2      TYR  56  11.694  -2.798   4.807
  413    HD2  TYR  56           HD1      TYR  56   7.991  -0.766   4.367
  414    HE1  TYR  56           HE2      TYR  56  10.503  -4.874   5.355
  415    HE2  TYR  56           HE1      TYR  56   6.792  -2.820   4.913
  416    HH   TYR  56           HH       TYR  56   7.031  -5.081   5.046
  417    H    GLY  57           H        GLY  57  10.811   2.837   5.839
  418    HA2  GLY  57           HA2      GLY  57  12.284   4.615   5.773
  419    HA3  GLY  57           HA3      GLY  57  13.575   3.515   5.302
  420    H    VAL  58           H        VAL  58  10.497   4.718   4.052
  421    HA   VAL  58           HA       VAL  58  11.809   5.277   1.510
  422    HB   VAL  58           HB       VAL  58   9.986   4.424   0.146
  423   HG11  VAL  58          HG11      VAL  58  10.813   2.337   2.118
  424   HG12  VAL  58          HG12      VAL  58  11.692   2.808   0.657
  425   HG13  VAL  58          HG13      VAL  58  10.112   2.018   0.530
  426   HG21  VAL  58          HG21      VAL  58   8.081   3.177   1.063
  427   HG22  VAL  58          HG22      VAL  58   8.102   4.846   1.634
  428   HG23  VAL  58          HG23      VAL  58   8.632   3.546   2.695
  429    H    SER  59           H        SER  59  10.144   6.618   0.082
  430    HA   SER  59           HA       SER  59   8.568   8.358   1.814
  431    HB2  SER  59           HB2      SER  59  10.537   9.222  -0.315
  432    HB3  SER  59           HB3      SER  59   9.401  10.296   0.504
  433    HG   SER  59           HG       SER  59  10.396   9.468   2.490
  434    H    ILE  60           H        ILE  60   6.577   8.142   1.141
  435    HA   ILE  60           HA       ILE  60   6.045   7.843  -1.740
  436    HB   ILE  60           HB       ILE  60   4.169   7.209   0.566
  437   HG12  ILE  60          HG12      ILE  60   6.032   5.614   0.603
  438   HG13  ILE  60          HG13      ILE  60   4.558   4.815   0.071
  439   HG21  ILE  60          HG21      ILE  60   3.946   6.604  -2.380
  440   HG22  ILE  60          HG22      ILE  60   3.008   7.795  -1.479
  441   HG23  ILE  60          HG23      ILE  60   2.807   6.077  -1.140
  442   HD11  ILE  60          HD11      ILE  60   6.822   5.740  -1.696
  443   HD12  ILE  60          HD12      ILE  60   5.347   4.950  -2.249
  444   HD13  ILE  60          HD13      ILE  60   6.480   4.078  -1.216
  445    HA   PRO  61           HA       PRO  61   4.713  12.135  -1.001
  446    HB2  PRO  61           HB2      PRO  61   4.303  12.046  -3.929
  447    HB3  PRO  61           HB3      PRO  61   5.277  13.167  -2.972
  448    HG2  PRO  61           HG2      PRO  61   6.415  11.303  -4.522
  449    HG3  PRO  61           HG3      PRO  61   7.116  11.763  -2.957
  450    HD2  PRO  61           HD2      PRO  61   5.484   9.362  -3.676
  451    HD3  PRO  61           HD3      PRO  61   6.920   9.480  -2.632
  452    H    ASP  62           H        ASP  62   2.686  12.814  -0.659
  453    HA   ASP  62           HA       ASP  62   0.480  11.150  -0.822
  454    HB2  ASP  62           HB2      ASP  62  -0.922  13.063  -0.220
  455    HB3  ASP  62           HB3      ASP  62   0.556  13.028   0.728
  456    H    ASP  63           H        ASP  63   1.621  13.343  -3.268
  457    HA   ASP  63           HA       ASP  63  -0.769  13.309  -4.849
  458    HB2  ASP  63           HB2      ASP  63   0.894  15.054  -5.233
  459    HB3  ASP  63           HB3      ASP  63   2.102  13.850  -5.662
  460    H    VAL  64           H        VAL  64   2.084  11.366  -4.667
  461    HA   VAL  64           HA       VAL  64   1.470   9.664  -6.926
  462    HB   VAL  64           HB       VAL  64   3.411   9.262  -4.646
  463   HG11  VAL  64          HG11      VAL  64   2.926   7.203  -5.880
  464   HG12  VAL  64          HG12      VAL  64   4.574   7.741  -6.206
  465   HG13  VAL  64          HG13      VAL  64   3.304   8.014  -7.400
  466   HG21  VAL  64          HG21      VAL  64   3.909  11.333  -5.808
  467   HG22  VAL  64          HG22      VAL  64   3.884  10.495  -7.360
  468   HG23  VAL  64          HG23      VAL  64   5.141  10.126  -6.180
  469    H    ALA  65           H        ALA  65   1.256   9.461  -3.422
  470    HA   ALA  65           HA       ALA  65   0.189   6.889  -3.220
  471    HB1  ALA  65           HB1      ALA  65   0.983   8.154  -1.287
  472    HB2  ALA  65           HB2      ALA  65  -0.677   7.597  -1.047
  473    HB3  ALA  65           HB3      ALA  65  -0.359   9.285  -1.486
  474    H    GLY  66           H        GLY  66  -1.351   9.941  -4.009
  475    HA2  GLY  66           HA2      GLY  66  -3.976   8.679  -4.077
  476    HA3  GLY  66           HA3      GLY  66  -3.622  10.373  -4.388
  477    H    ARG  67           H        ARG  67  -1.421   8.654  -6.058
  478    HA   ARG  67           HA       ARG  67  -2.901   8.958  -8.573
  479    HB2  ARG  67           HB2      ARG  67  -0.695  10.122  -8.234
  480    HB3  ARG  67           HB3      ARG  67   0.062   8.542  -8.146
  481    HG2  ARG  67           HG2      ARG  67  -0.661   8.067 -10.418
  482    HG3  ARG  67           HG3      ARG  67  -1.432   9.650 -10.498
  483    HD2  ARG  67           HD2      ARG  67   0.837  10.632  -9.984
  484    HD3  ARG  67           HD3      ARG  67   1.495   9.019 -10.261
  485    HE   ARG  67           HE       ARG  67  -0.197  10.094 -12.328
  486   HH11  ARG  67          HH11      ARG  67   3.128   9.420 -11.272
  487   HH12  ARG  67          HH12      ARG  67   3.836   9.796 -12.769
  488   HH21  ARG  67          HH21      ARG  67   0.795  10.675 -14.395
  489   HH22  ARG  67          HH22      ARG  67   2.490  10.590 -14.566
  490    H    VAL  68           H        VAL  68  -1.391   6.662  -6.478
  491    HA   VAL  68           HA       VAL  68  -1.322   4.576  -8.411
  492    HB   VAL  68           HB       VAL  68  -0.830   3.075  -6.402
  493   HG11  VAL  68          HG11      VAL  68   0.896   5.518  -6.806
  494   HG12  VAL  68          HG12      VAL  68   0.931   4.047  -7.779
  495   HG13  VAL  68          HG13      VAL  68   1.425   3.998  -6.085
  496   HG21  VAL  68          HG21      VAL  68  -0.738   5.726  -4.969
  497   HG22  VAL  68          HG22      VAL  68  -0.231   4.172  -4.298
  498   HG23  VAL  68          HG23      VAL  68  -1.935   4.460  -4.681
  499    H    ASP  69           H        ASP  69  -2.959   3.784  -9.202
  500    HA   ASP  69           HA       ASP  69  -5.563   4.038  -7.977
  501    HB2  ASP  69           HB2      ASP  69  -5.348   4.754 -10.228
  502    HB3  ASP  69           HB3      ASP  69  -4.550   3.264 -10.692
  503    H    THR  70           H        THR  70  -3.326   1.572  -8.974
  504    HA   THR  70           HA       THR  70  -5.082  -0.383  -7.707
  505    HB   THR  70           HB       THR  70  -3.939  -2.096  -9.187
  506    HG1  THR  70           HG1      THR  70  -2.857   0.303 -10.264
  507   HG21  THR  70          HG21      THR  70  -5.508   0.095 -10.550
  508   HG22  THR  70          HG22      THR  70  -6.190  -1.283  -9.685
  509   HG23  THR  70          HG23      THR  70  -5.284  -1.538 -11.182
  510    HA   PRO  71           HA       PRO  71  -2.153  -1.078  -4.491
  511    HB2  PRO  71           HB2      PRO  71  -2.610  -3.967  -5.112
  512    HB3  PRO  71           HB3      PRO  71  -2.648  -3.135  -3.550
  513    HG2  PRO  71           HG2      PRO  71  -4.918  -3.749  -4.716
  514    HG3  PRO  71           HG3      PRO  71  -4.719  -2.147  -3.979
  515    HD2  PRO  71           HD2      PRO  71  -4.645  -2.924  -6.864
  516    HD3  PRO  71           HD3      PRO  71  -5.354  -1.488  -6.097
  517    H    ARG  72           H        ARG  72  -1.759  -2.972  -7.424
  518    HA   ARG  72           HA       ARG  72   0.846  -3.891  -7.128
  519    HB2  ARG  72           HB2      ARG  72  -0.583  -4.579  -8.979
  520    HB3  ARG  72           HB3      ARG  72  -0.551  -2.954  -9.643
  521    HG2  ARG  72           HG2      ARG  72   1.767  -3.169 -10.218
  522    HG3  ARG  72           HG3      ARG  72   1.889  -4.705  -9.353
  523    HD2  ARG  72           HD2      ARG  72   0.128  -4.196 -11.755
  524    HD3  ARG  72           HD3      ARG  72   1.694  -5.014 -11.797
  525    HE   ARG  72           HE       ARG  72   0.736  -6.665 -10.295
  526   HH11  ARG  72          HH11      ARG  72  -1.362  -4.856 -12.534
  527   HH12  ARG  72          HH12      ARG  72  -2.694  -5.908 -12.405
  528   HH21  ARG  72          HH21      ARG  72  -1.187  -8.208 -10.144
  529   HH22  ARG  72          HH22      ARG  72  -2.579  -7.809 -11.046
  530    H    GLU  73           H        GLU  73  -0.293  -0.783  -8.318
  531    HA   GLU  73           HA       GLU  73   2.214   0.282  -9.010
  532    HB2  GLU  73           HB2      GLU  73  -0.336   1.703  -8.259
  533    HB3  GLU  73           HB3      GLU  73   1.031   2.414  -9.106
  534    HG2  GLU  73           HG2      GLU  73   0.677   0.966 -10.989
  535    HG3  GLU  73           HG3      GLU  73  -0.605   0.114 -10.134
  536    H    LEU  74           H        LEU  74   0.382   0.267  -6.012
  537    HA   LEU  74           HA       LEU  74   2.049   2.167  -4.647
  538    HB2  LEU  74           HB2      LEU  74  -0.361   1.458  -4.034
  539    HB3  LEU  74           HB3      LEU  74   0.343   0.007  -3.367
  540    HG   LEU  74           HG       LEU  74   0.902   2.817  -2.355
  541   HD11  LEU  74          HD11      LEU  74  -0.897   0.681  -1.242
  542   HD12  LEU  74          HD12      LEU  74  -1.401   2.204  -1.974
  543   HD13  LEU  74          HD13      LEU  74  -0.506   2.211  -0.455
  544   HD21  LEU  74          HD21      LEU  74   1.564   0.136  -1.115
  545   HD22  LEU  74          HD22      LEU  74   1.863   1.717  -0.388
  546   HD23  LEU  74          HD23      LEU  74   2.721   1.242  -1.857
  547    H    LEU  75           H        LEU  75   1.827  -1.357  -4.732
  548    HA   LEU  75           HA       LEU  75   3.950  -1.962  -3.024
  549    HB2  LEU  75           HB2      LEU  75   2.235  -3.547  -3.903
  550    HB3  LEU  75           HB3      LEU  75   3.048  -3.513  -5.452
  551    HG   LEU  75           HG       LEU  75   5.043  -4.513  -4.428
  552   HD11  LEU  75          HD11      LEU  75   3.343  -4.628  -1.938
  553   HD12  LEU  75          HD12      LEU  75   4.769  -3.619  -2.177
  554   HD13  LEU  75          HD13      LEU  75   4.929  -5.373  -2.143
  555   HD21  LEU  75          HD21      LEU  75   2.482  -6.011  -3.883
  556   HD22  LEU  75          HD22      LEU  75   4.087  -6.729  -4.040
  557   HD23  LEU  75          HD23      LEU  75   3.331  -5.945  -5.428
  558    H    ASP  76           H        ASP  76   3.853  -1.342  -6.465
  559    HA   ASP  76           HA       ASP  76   6.490  -1.765  -7.214
  560    HB2  ASP  76           HB2      ASP  76   4.803  -1.377  -8.869
  561    HB3  ASP  76           HB3      ASP  76   4.458   0.220  -8.220
  562    H    LEU  77           H        LEU  77   5.009   1.107  -5.776
  563    HA   LEU  77           HA       LEU  77   7.193   2.878  -6.014
  564    HB2  LEU  77           HB2      LEU  77   5.120   2.730  -3.829
  565    HB3  LEU  77           HB3      LEU  77   6.188   4.079  -4.113
  566    HG   LEU  77           HG       LEU  77   4.037   3.134  -5.997
  567   HD11  LEU  77          HD11      LEU  77   3.139   4.080  -3.940
  568   HD12  LEU  77          HD12      LEU  77   2.878   5.172  -5.298
  569   HD13  LEU  77          HD13      LEU  77   4.163   5.500  -4.134
  570   HD21  LEU  77          HD21      LEU  77   5.816   5.572  -6.061
  571   HD22  LEU  77          HD22      LEU  77   4.493   5.230  -7.175
  572   HD23  LEU  77          HD23      LEU  77   5.917   4.191  -7.152
  573    H    ILE  78           H        ILE  78   6.180   0.710  -3.461
  574    HA   ILE  78           HA       ILE  78   8.222   1.249  -1.612
  575    HB   ILE  78           HB       ILE  78   6.722  -1.360  -2.004
  576   HG12  ILE  78          HG12      ILE  78   5.146   0.488  -1.749
  577   HG13  ILE  78          HG13      ILE  78   5.150  -0.503  -0.298
  578   HG21  ILE  78          HG21      ILE  78   7.183  -1.739   0.377
  579   HG22  ILE  78          HG22      ILE  78   8.123  -0.250   0.429
  580   HG23  ILE  78          HG23      ILE  78   8.669  -1.602  -0.559
  581   HD11  ILE  78          HD11      ILE  78   6.540   2.152  -0.632
  582   HD12  ILE  78          HD12      ILE  78   6.541   1.165   0.831
  583   HD13  ILE  78          HD13      ILE  78   5.033   1.864   0.240
  584    H    ASN  79           H        ASN  79   7.905  -1.316  -4.058
  585    HA   ASN  79           HA       ASN  79  10.418  -2.528  -3.558
  586    HB2  ASN  79           HB2      ASN  79   8.663  -2.583  -6.024
  587    HB3  ASN  79           HB3      ASN  79  10.211  -3.406  -5.980
  588   HD21  ASN  79          HD21      ASN  79   7.928  -3.249  -3.269
  589   HD22  ASN  79          HD22      ASN  79   7.540  -4.943  -3.302
  590    H    GLY  80           H        GLY  80   9.453   0.017  -5.803
  591    HA2  GLY  80           HA2      GLY  80  11.923   0.282  -7.114
  592    HA3  GLY  80           HA3      GLY  80  10.633   1.471  -7.065
  593    H    ALA  81           H        ALA  81  10.627   1.856  -4.239
  594    HA   ALA  81           HA       ALA  81  12.810   3.673  -4.003
  595    HB1  ALA  81           HB1      ALA  81  11.942   4.133  -1.766
  596    HB2  ALA  81           HB2      ALA  81  10.879   2.732  -1.877
  597    HB3  ALA  81           HB3      ALA  81  10.636   4.113  -2.949
  598    H    LEU  82           H        LEU  82  12.056   0.528  -2.615
  599    HA   LEU  82           HA       LEU  82  14.410   0.446  -1.009
  600    HB2  LEU  82           HB2      LEU  82  12.447  -1.710  -1.761
  601    HB3  LEU  82           HB3      LEU  82  13.793  -1.958  -0.663
  602    HG   LEU  82           HG       LEU  82  11.543   0.004  -0.209
  603   HD11  LEU  82          HD11      LEU  82  12.069  -2.687   1.031
  604   HD12  LEU  82          HD12      LEU  82  10.757  -2.286  -0.078
  605   HD13  LEU  82          HD13      LEU  82  10.816  -1.549   1.524
  606   HD21  LEU  82          HD21      LEU  82  13.794  -0.897   1.594
  607   HD22  LEU  82          HD22      LEU  82  12.467   0.164   2.052
  608   HD23  LEU  82          HD23      LEU  82  13.635   0.691   0.841
  609    H    ALA  83           H        ALA  83  13.938   0.029  -4.264
  610    HA   ALA  83           HA       ALA  83  15.928  -1.849  -4.913
  611    HB1  ALA  83           HB1      ALA  83  15.037   0.554  -6.516
  612    HB2  ALA  83           HB2      ALA  83  14.280  -1.041  -6.549
  613    HB3  ALA  83           HB3      ALA  83  15.928  -0.835  -7.138
  614    H    GLU  84           H        GLU  84  16.113   1.353  -3.714
  615    HA   GLU  84           HA       GLU  84  18.955   1.566  -4.363
  616    HB2  GLU  84           HB2      GLU  84  16.916   3.543  -3.384
  617    HB3  GLU  84           HB3      GLU  84  18.638   3.883  -3.311
  618    HG2  GLU  84           HG2      GLU  84  17.136   3.180  -5.817
  619    HG3  GLU  84           HG3      GLU  84  17.544   4.821  -5.302
  620    H    ALA  85           H        ALA  85  17.119   0.267  -1.995
  621    HA   ALA  85           HA       ALA  85  18.754   1.241   0.209
  622    HB1  ALA  85           HB1      ALA  85  17.125   0.169   1.669
  623    HB2  ALA  85           HB2      ALA  85  16.283  -0.486   0.262
  624    HB3  ALA  85           HB3      ALA  85  16.327   1.255   0.531
  625    H    ALA  86           H        ALA  86  19.992  -0.075   1.433
  626    HA   ALA  86           HA       ALA  86  20.482  -2.743   0.327
  627    HB1  ALA  86           HB1      ALA  86  22.320  -1.200  -0.176
  628    HB2  ALA  86           HB2      ALA  86  22.831  -2.465   0.943
  629    HB3  ALA  86           HB3      ALA  86  22.488  -0.844   1.545
  630    H28  SXA  87          H28A      SXA  87  -8.623  14.235  -0.529
  631   H28A  SXA  87          H28B      SXA  87  -9.041  14.353   1.178
  632    H30  SXA  87          H30A      SXA  87  -6.400  13.190   2.162
  633   H30A  SXA  87          H30B      SXA  87  -7.256  14.562   2.867
  634   H30B  SXA  87          H30C      SXA  87  -5.570  14.731   2.380
  635    H31  SXA  87          H31A      SXA  87  -5.775  13.199  -0.246
  636   H31A  SXA  87          H31B      SXA  87  -4.971  14.761  -0.086
  637   H31B  SXA  87          H31C      SXA  87  -6.257  14.549  -1.275
  638    H32  SXA  87          H32A      SXA  87  -7.844  16.587   1.460
  639   HO33  SXA  87          H33A      SXA  87  -6.958  16.874  -1.146
  640   HN36  SXA  87          H36A      SXA  87  -5.654  16.491   2.744
  641    H37  SXA  87          H37A      SXA  87  -3.420  17.915   1.443
  642   H37A  SXA  87          H37B      SXA  87  -4.215  18.641   2.827
  643    H38  SXA  87          H38A      SXA  87  -2.281  17.562   3.626
  644   H38A  SXA  87          H38B      SXA  87  -3.673  16.606   4.175
  645   HN41  SXA  87          H41A      SXA  87  -1.837  15.134   4.516
  646    H42  SXA  87          H42A      SXA  87  -1.864  13.003   2.746
  647   H42A  SXA  87          H42B      SXA  87  -0.335  13.867   2.495
  648    H43  SXA  87          H43A      SXA  87  -1.368  12.892   5.162
  649   H43A  SXA  87          H43B      SXA  87   0.304  13.403   4.807
  650    H2   SXA  87           H2C      SXA  87   1.750   9.450   2.819
  651    H2A  SXA  87           H2A      SXA  87   2.283  10.435   1.452
  652    H2B  SXA  87           H2B      SXA  87   0.603   9.898   1.550
  Start of MODEL    7
    1    H1   MET   1           H1       MET   1  19.073 -10.307  -3.135
    2    H2   MET   1           H2       MET   1  18.683 -10.769  -1.574
    3    H3   MET   1           H3       MET   1  20.215 -11.144  -2.182
    4    HA   MET   1           HA       MET   1  20.394  -9.334  -0.659
    5    HB2  MET   1           HB2      MET   1  20.521  -8.324  -3.515
    6    HB3  MET   1           HB3      MET   1  21.213  -7.498  -2.135
    7    HG2  MET   1           HG2      MET   1  22.754  -9.341  -1.789
    8    HG3  MET   1           HG3      MET   1  22.034 -10.208  -3.146
    9    HE1  MET   1           HE1      MET   1  21.487  -7.810  -5.186
   10    HE2  MET   1           HE2      MET   1  22.150  -9.370  -5.666
   11    HE3  MET   1           HE3      MET   1  22.950  -7.880  -6.167
   12    H    ALA   2           H        ALA   2  18.255  -8.419  -3.342
   13    HA   ALA   2           HA       ALA   2  17.223  -6.179  -1.903
   14    HB1  ALA   2           HB1      ALA   2  15.815  -5.897  -3.868
   15    HB2  ALA   2           HB2      ALA   2  16.343  -7.464  -4.481
   16    HB3  ALA   2           HB3      ALA   2  17.501  -6.142  -4.327
   17    H    THR   3           H        THR   3  15.561  -6.208  -0.555
   18    HA   THR   3           HA       THR   3  13.847  -8.576  -0.517
   19    HB   THR   3           HB       THR   3  13.092  -7.581   1.692
   20    HG1  THR   3           HG1      THR   3  14.022  -5.443   1.014
   21   HG21  THR   3          HG21      THR   3  16.039  -8.198   1.426
   22   HG22  THR   3          HG22      THR   3  14.746  -9.384   1.606
   23   HG23  THR   3          HG23      THR   3  15.109  -8.263   2.923
   24    H    LEU   4           H        LEU   4  12.235  -8.264  -1.908
   25    HA   LEU   4           HA       LEU   4  11.060  -5.606  -2.152
   26    HB2  LEU   4           HB2      LEU   4  10.680  -8.102  -3.806
   27    HB3  LEU   4           HB3      LEU   4   9.903  -6.563  -4.117
   28    HG   LEU   4           HG       LEU   4  12.873  -7.097  -4.273
   29   HD11  LEU   4          HD11      LEU   4  11.637  -8.146  -6.080
   30   HD12  LEU   4          HD12      LEU   4  12.571  -6.770  -6.672
   31   HD13  LEU   4          HD13      LEU   4  10.830  -6.617  -6.431
   32   HD21  LEU   4          HD21      LEU   4  12.392  -4.810  -3.563
   33   HD22  LEU   4          HD22      LEU   4  11.287  -4.610  -4.920
   34   HD23  LEU   4          HD23      LEU   4  13.012  -4.838  -5.215
   35    H    LEU   5           H        LEU   5   8.934  -5.255  -1.652
   36    HA   LEU   5           HA       LEU   5   7.805  -7.117   0.223
   37    HB2  LEU   5           HB2      LEU   5   6.541  -4.631  -0.920
   38    HB3  LEU   5           HB3      LEU   5   5.937  -5.565   0.424
   39    HG   LEU   5           HG       LEU   5   8.284  -3.717   0.317
   40   HD11  LEU   5          HD11      LEU   5   6.128  -2.772   0.804
   41   HD12  LEU   5          HD12      LEU   5   7.146  -2.740   2.244
   42   HD13  LEU   5          HD13      LEU   5   5.874  -3.949   2.090
   43   HD21  LEU   5          HD21      LEU   5   8.880  -4.435   2.585
   44   HD22  LEU   5          HD22      LEU   5   9.087  -5.746   1.420
   45   HD23  LEU   5          HD23      LEU   5   7.683  -5.727   2.486
   46    H    THR   6           H        THR   6   6.097  -8.434  -0.082
   47    HA   THR   6           HA       THR   6   5.348  -8.719  -2.875
   48    HB   THR   6           HB       THR   6   4.666 -11.036  -2.291
   49    HG1  THR   6           HG1      THR   6   6.001 -10.833   0.213
   50   HG21  THR   6          HG21      THR   6   6.934 -11.951  -1.975
   51   HG22  THR   6          HG22      THR   6   7.509 -10.344  -1.518
   52   HG23  THR   6          HG23      THR   6   6.920 -10.638  -3.152
   53    H    THR   7           H        THR   7   3.082 -10.127  -2.705
   54    HA   THR   7           HA       THR   7   1.001  -8.390  -2.460
   55    HB   THR   7           HB       THR   7   0.998 -11.385  -2.026
   56    HG1  THR   7           HG1      THR   7   0.395 -10.989  -4.482
   57   HG21  THR   7          HG21      THR   7  -1.161 -10.315  -1.511
   58   HG22  THR   7          HG22      THR   7  -1.272 -11.274  -2.987
   59   HG23  THR   7          HG23      THR   7  -1.141  -9.517  -3.083
   60    H    ASP   8           H        ASP   8   2.090 -10.807  -0.062
   61    HA   ASP   8           HA       ASP   8   0.103 -10.246   1.851
   62    HB2  ASP   8           HB2      ASP   8   1.407 -12.347   1.742
   63    HB3  ASP   8           HB3      ASP   8   2.802 -11.463   2.359
   64    H    ASP   9           H        ASP   9   3.317  -8.844   1.419
   65    HA   ASP   9           HA       ASP   9   3.465  -7.508   3.947
   66    HB2  ASP   9           HB2      ASP   9   4.682  -6.721   1.292
   67    HB3  ASP   9           HB3      ASP   9   4.984  -5.843   2.776
   68    H    LEU  10           H        LEU  10   2.372  -6.570   0.792
   69    HA   LEU  10           HA       LEU  10   1.525  -3.962   1.398
   70    HB2  LEU  10           HB2      LEU  10   1.951  -4.953  -0.866
   71    HB3  LEU  10           HB3      LEU  10   0.471  -5.865  -0.689
   72    HG   LEU  10           HG       LEU  10  -0.785  -3.724  -0.588
   73   HD11  LEU  10          HD11      LEU  10   1.011  -2.275   0.202
   74   HD12  LEU  10          HD12      LEU  10   0.336  -1.674  -1.310
   75   HD13  LEU  10          HD13      LEU  10   1.884  -2.515  -1.311
   76   HD21  LEU  10          HD21      LEU  10  -0.583  -4.986  -2.653
   77   HD22  LEU  10          HD22      LEU  10   0.936  -4.165  -3.020
   78   HD23  LEU  10          HD23      LEU  10  -0.572  -3.252  -2.978
   79    H    ARG  11           H        ARG  11  -0.176  -7.040   1.159
   80    HA   ARG  11           HA       ARG  11  -2.778  -6.463   1.766
   81    HB2  ARG  11           HB2      ARG  11  -1.990  -8.674   1.190
   82    HB3  ARG  11           HB3      ARG  11  -1.093  -8.780   2.692
   83    HG2  ARG  11           HG2      ARG  11  -3.298  -8.665   3.890
   84    HG3  ARG  11           HG3      ARG  11  -4.068  -8.844   2.303
   85    HD2  ARG  11           HD2      ARG  11  -2.826 -10.899   1.925
   86    HD3  ARG  11           HD3      ARG  11  -2.058 -10.731   3.498
   87    HE   ARG  11           HE       ARG  11  -4.959 -10.883   3.415
   88   HH11  ARG  11          HH11      ARG  11  -1.866 -12.496   4.169
   89   HH12  ARG  11          HH12      ARG  11  -2.592 -13.833   4.915
   90   HH21  ARG  11          HH21      ARG  11  -5.941 -12.715   4.450
   91   HH22  ARG  11          HH22      ARG  11  -4.950 -13.984   5.050
   92    H    ARG  12           H        ARG  12  -0.330  -7.451   4.159
   93    HA   ARG  12           HA       ARG  12  -1.913  -7.044   6.413
   94    HB2  ARG  12           HB2      ARG  12   1.094  -6.989   6.167
   95    HB3  ARG  12           HB3      ARG  12   0.231  -7.032   7.704
   96    HG2  ARG  12           HG2      ARG  12  -0.775  -9.191   6.976
   97    HG3  ARG  12           HG3      ARG  12   0.261  -9.136   5.550
   98    HD2  ARG  12           HD2      ARG  12   2.231  -9.017   7.059
   99    HD3  ARG  12           HD3      ARG  12   1.145  -9.227   8.431
  100    HE   ARG  12           HE       ARG  12   1.420 -11.197   6.268
  101   HH11  ARG  12          HH11      ARG  12   1.100 -10.474   9.742
  102   HH12  ARG  12          HH12      ARG  12   1.302 -12.077  10.263
  103   HH21  ARG  12          HH21      ARG  12   1.649 -13.447   6.996
  104   HH22  ARG  12          HH22      ARG  12   1.724 -13.796   8.661
  105    H    ALA  13           H        ALA  13   0.185  -4.820   4.705
  106    HA   ALA  13           HA       ALA  13   0.128  -2.715   6.590
  107    HB1  ALA  13           HB1      ALA  13   0.961  -1.336   4.786
  108    HB2  ALA  13           HB2      ALA  13   0.542  -2.592   3.618
  109    HB3  ALA  13           HB3      ALA  13   1.795  -2.888   4.822
  110    H    LEU  14           H        LEU  14  -1.863  -3.435   3.751
  111    HA   LEU  14           HA       LEU  14  -3.437  -1.112   4.027
  112    HB2  LEU  14           HB2      LEU  14  -3.812  -3.658   2.484
  113    HB3  LEU  14           HB3      LEU  14  -5.187  -2.604   2.702
  114    HG   LEU  14           HG       LEU  14  -3.811  -0.765   1.618
  115   HD11  LEU  14          HD11      LEU  14  -2.024  -3.036   0.859
  116   HD12  LEU  14          HD12      LEU  14  -1.619  -1.667   1.895
  117   HD13  LEU  14          HD13      LEU  14  -1.976  -1.407   0.187
  118   HD21  LEU  14          HD21      LEU  14  -4.207  -1.554  -0.654
  119   HD22  LEU  14          HD22      LEU  14  -5.563  -1.907   0.416
  120   HD23  LEU  14          HD23      LEU  14  -4.443  -3.191  -0.038
  121    H    VAL  15           H        VAL  15  -3.866  -4.413   5.164
  122    HA   VAL  15           HA       VAL  15  -6.338  -4.181   6.424
  123    HB   VAL  15           HB       VAL  15  -3.947  -5.812   7.362
  124   HG11  VAL  15          HG11      VAL  15  -5.609  -5.572   9.136
  125   HG12  VAL  15          HG12      VAL  15  -5.597  -7.224   8.520
  126   HG13  VAL  15          HG13      VAL  15  -6.879  -6.110   8.037
  127   HG21  VAL  15          HG21      VAL  15  -6.287  -6.582   5.615
  128   HG22  VAL  15          HG22      VAL  15  -5.030  -7.676   6.192
  129   HG23  VAL  15          HG23      VAL  15  -4.618  -6.366   5.086
  130    H    GLU  16           H        GLU  16  -3.110  -3.695   7.891
  131    HA   GLU  16           HA       GLU  16  -4.152  -2.916  10.393
  132    HB2  GLU  16           HB2      GLU  16  -1.885  -2.262  10.993
  133    HB3  GLU  16           HB3      GLU  16  -1.889  -3.816  10.177
  134    HG2  GLU  16           HG2      GLU  16  -1.159  -2.721   8.114
  135    HG3  GLU  16           HG3      GLU  16  -1.138  -1.170   8.949
  136    H    SER  17           H        SER  17  -3.742  -1.119   7.505
  137    HA   SER  17           HA       SER  17  -3.643   1.458   8.753
  138    HB2  SER  17           HB2      SER  17  -2.753   1.084   6.480
  139    HB3  SER  17           HB3      SER  17  -4.371   0.675   5.919
  140    HG   SER  17           HG       SER  17  -4.114   2.794   5.428
  141    H    ALA  18           H        ALA  18  -6.102  -0.603   7.301
  142    HA   ALA  18           HA       ALA  18  -8.294   1.161   7.839
  143    HB1  ALA  18           HB1      ALA  18  -8.246  -1.818   7.277
  144    HB2  ALA  18           HB2      ALA  18  -8.423  -0.552   6.064
  145    HB3  ALA  18           HB3      ALA  18  -9.685  -0.806   7.266
  146    H    GLY  19           H        GLY  19  -6.401  -0.963   9.562
  147    HA2  GLY  19           HA2      GLY  19  -6.372  -0.975  11.955
  148    HA3  GLY  19           HA3      GLY  19  -8.128  -0.772  11.935
  149    H    GLU  20           H        GLU  20  -9.422  -2.480  11.699
  150    HA   GLU  20           HA       GLU  20  -8.189  -5.079  11.150
  151    HB2  GLU  20           HB2      GLU  20 -10.241  -4.472  13.294
  152    HB3  GLU  20           HB3      GLU  20  -9.718  -6.084  12.831
  153    HG2  GLU  20           HG2      GLU  20  -7.425  -5.504  13.538
  154    HG3  GLU  20           HG3      GLU  20  -8.025  -3.936  14.081
  155    H    THR  21           H        THR  21  -9.928  -2.868   9.870
  156    HA   THR  21           HA       THR  21 -12.503  -3.862   9.378
  157    HB   THR  21           HB       THR  21 -10.851  -1.942   7.724
  158    HG1  THR  21           HG1      THR  21 -12.471  -1.698  10.028
  159   HG21  THR  21          HG21      THR  21 -13.855  -2.288   7.965
  160   HG22  THR  21          HG22      THR  21 -12.884  -2.821   6.600
  161   HG23  THR  21          HG23      THR  21 -13.025  -1.095   6.959
  162    H    ASP  22           H        ASP  22 -12.483  -5.901   8.682
  163    HA   ASP  22           HA       ASP  22 -11.212  -6.491   6.100
  164    HB2  ASP  22           HB2      ASP  22 -10.780  -7.938   8.166
  165    HB3  ASP  22           HB3      ASP  22 -12.462  -8.431   8.089
  166    H    GLY  23           H        GLY  23 -13.102  -8.573   5.458
  167    HA2  GLY  23           HA2      GLY  23 -15.304  -8.897   4.720
  168    HA3  GLY  23           HA3      GLY  23 -15.732  -7.336   5.419
  169    H    THR  24           H        THR  24 -13.209  -8.189   3.177
  170    HA   THR  24           HA       THR  24 -14.310  -7.078   0.868
  171    HB   THR  24           HB       THR  24 -13.953  -4.918   2.031
  172    HG1  THR  24           HG1      THR  24 -11.956  -4.283   0.585
  173   HG21  THR  24          HG21      THR  24 -12.252  -5.580   3.666
  174   HG22  THR  24          HG22      THR  24 -11.709  -4.174   2.752
  175   HG23  THR  24          HG23      THR  24 -11.066  -5.773   2.375
  176    H    ASP  25           H        ASP  25 -13.007  -7.841  -0.815
  177    HA   ASP  25           HA       ASP  25 -11.042  -9.761  -0.069
  178    HB2  ASP  25           HB2      ASP  25 -11.968  -8.824  -2.781
  179    HB3  ASP  25           HB3      ASP  25 -10.624  -9.942  -2.600
  180    H    LEU  26           H        LEU  26  -9.527  -8.770   0.993
  181    HA   LEU  26           HA       LEU  26  -7.794  -6.917  -0.493
  182    HB2  LEU  26           HB2      LEU  26  -8.984  -6.170   1.639
  183    HB3  LEU  26           HB3      LEU  26  -8.014  -7.347   2.480
  184    HG   LEU  26           HG       LEU  26  -5.973  -6.144   1.808
  185   HD11  LEU  26          HD11      LEU  26  -6.189  -3.908   0.846
  186   HD12  LEU  26          HD12      LEU  26  -7.928  -4.145   0.688
  187   HD13  LEU  26          HD13      LEU  26  -6.813  -5.146  -0.244
  188   HD21  LEU  26          HD21      LEU  26  -7.035  -5.701   3.958
  189   HD22  LEU  26          HD22      LEU  26  -8.061  -4.479   3.206
  190   HD23  LEU  26          HD23      LEU  26  -6.318  -4.232   3.295
  191    H    SER  27           H        SER  27  -8.146 -10.009   0.075
  192    HA   SER  27           HA       SER  27  -5.317 -10.532   0.549
  193    HB2  SER  27           HB2      SER  27  -7.695 -12.210   1.363
  194    HB3  SER  27           HB3      SER  27  -6.001 -12.626   1.622
  195    HG   SER  27           HG       SER  27  -7.484 -10.494   2.776
  196    H    GLY  28           H        GLY  28  -4.366 -11.811  -0.962
  197    HA2  GLY  28           HA2      GLY  28  -4.193 -13.362  -2.635
  198    HA3  GLY  28           HA3      GLY  28  -5.940 -13.527  -2.642
  199    H    ASP  29           H        ASP  29  -3.217 -12.079  -4.038
  200    HA   ASP  29           HA       ASP  29  -2.853 -10.651  -5.786
  201    HB2  ASP  29           HB2      ASP  29  -3.866 -11.433  -7.919
  202    HB3  ASP  29           HB3      ASP  29  -3.197 -12.728  -6.950
  203    H    PHE  30           H        PHE  30  -4.359  -9.305  -4.094
  204    HA   PHE  30           HA       PHE  30  -6.586  -8.059  -5.416
  205    HB2  PHE  30           HB2      PHE  30  -6.749  -6.668  -3.438
  206    HB3  PHE  30           HB3      PHE  30  -6.535  -8.350  -2.963
  207    HD1  PHE  30           HD2      PHE  30  -4.173  -9.076  -2.268
  208    HD2  PHE  30           HD1      PHE  30  -5.343  -5.003  -2.631
  209    HE1  PHE  30           HE2      PHE  30  -2.271  -8.401  -0.870
  210    HE2  PHE  30           HE1      PHE  30  -3.440  -4.330  -1.237
  211    HZ   PHE  30           HZ       PHE  30  -1.904  -6.030  -0.359
  212    H    LEU  31           H        LEU  31  -3.350  -7.749  -5.707
  213    HA   LEU  31           HA       LEU  31  -2.730  -5.048  -5.847
  214    HB2  LEU  31           HB2      LEU  31  -1.613  -7.352  -7.420
  215    HB3  LEU  31           HB3      LEU  31  -1.031  -5.724  -7.612
  216    HG   LEU  31           HG       LEU  31  -0.309  -5.679  -5.254
  217   HD11  LEU  31          HD11      LEU  31  -1.131  -8.569  -5.200
  218   HD12  LEU  31          HD12      LEU  31  -1.891  -7.252  -4.309
  219   HD13  LEU  31          HD13      LEU  31  -0.229  -7.719  -3.944
  220   HD21  LEU  31          HD21      LEU  31   1.246  -6.320  -6.990
  221   HD22  LEU  31          HD22      LEU  31   0.742  -8.005  -6.845
  222   HD23  LEU  31          HD23      LEU  31   1.569  -7.213  -5.503
  223    H    ASP  32           H        ASP  32  -4.516  -6.942  -8.124
  224    HA   ASP  32           HA       ASP  32  -4.327  -4.854 -10.164
  225    HB2  ASP  32           HB2      ASP  32  -3.979  -7.240 -10.788
  226    HB3  ASP  32           HB3      ASP  32  -5.639  -7.581 -10.318
  227    H    LEU  33           H        LEU  33  -6.256  -5.592  -7.561
  228    HA   LEU  33           HA       LEU  33  -8.793  -4.862  -8.718
  229    HB2  LEU  33           HB2      LEU  33  -7.975  -5.295  -5.842
  230    HB3  LEU  33           HB3      LEU  33  -9.613  -5.026  -6.398
  231    HG   LEU  33           HG       LEU  33  -7.895  -7.429  -7.006
  232   HD11  LEU  33          HD11      LEU  33  -8.734  -7.384  -4.740
  233   HD12  LEU  33          HD12      LEU  33  -9.568  -8.625  -5.688
  234   HD13  LEU  33          HD13      LEU  33 -10.366  -7.089  -5.338
  235   HD21  LEU  33          HD21      LEU  33  -9.323  -6.883  -8.907
  236   HD22  LEU  33          HD22      LEU  33 -10.729  -6.806  -7.846
  237   HD23  LEU  33          HD23      LEU  33  -9.897  -8.340  -8.094
  238    H    ARG  34           H        ARG  34  -9.704  -2.904  -8.494
  239    HA   ARG  34           HA       ARG  34  -7.848  -0.741  -8.109
  240    HB2  ARG  34           HB2      ARG  34 -10.786  -0.675  -8.767
  241    HB3  ARG  34           HB3      ARG  34  -9.670   0.681  -8.883
  242    HG2  ARG  34           HG2      ARG  34  -8.365  -0.551 -10.544
  243    HG3  ARG  34           HG3      ARG  34  -9.537  -1.868 -10.478
  244    HD2  ARG  34           HD2      ARG  34  -9.992  -0.452 -12.377
  245    HD3  ARG  34           HD3      ARG  34 -11.290  -0.286 -11.193
  246    HE   ARG  34           HE       ARG  34  -9.166   1.619 -10.938
  247   HH11  ARG  34          HH11      ARG  34 -12.274   0.955 -12.473
  248   HH12  ARG  34          HH12      ARG  34 -12.645   2.592 -12.781
  249   HH21  ARG  34          HH21      ARG  34  -9.666   3.792 -11.242
  250   HH22  ARG  34          HH22      ARG  34 -11.109   4.314 -12.030
  251    H    PHE  35           H        PHE  35  -7.787   0.767  -6.539
  252    HA   PHE  35           HA       PHE  35  -8.440   0.104  -3.951
  253    HB2  PHE  35           HB2      PHE  35  -7.817   2.791  -5.136
  254    HB3  PHE  35           HB3      PHE  35  -8.179   2.602  -3.427
  255    HD1  PHE  35           HD2      PHE  35  -6.764   0.483  -2.396
  256    HD2  PHE  35           HD1      PHE  35  -5.611   2.958  -5.650
  257    HE1  PHE  35           HE2      PHE  35  -4.414  -0.123  -2.024
  258    HE2  PHE  35           HE1      PHE  35  -3.262   2.348  -5.290
  259    HZ   PHE  35           HZ       PHE  35  -2.652   0.956  -3.309
  260    H    GLU  36           H        GLU  36 -10.367   2.009  -6.183
  261    HA   GLU  36           HA       GLU  36 -12.269   2.972  -4.397
  262    HB2  GLU  36           HB2      GLU  36 -13.804   3.165  -6.308
  263    HB3  GLU  36           HB3      GLU  36 -12.198   3.798  -6.636
  264    HG2  GLU  36           HG2      GLU  36 -11.651   1.977  -8.024
  265    HG3  GLU  36           HG3      GLU  36 -13.039   1.044  -7.470
  266    H    ASP  37           H        ASP  37 -11.941  -0.208  -5.704
  267    HA   ASP  37           HA       ASP  37 -14.629  -0.953  -4.903
  268    HB2  ASP  37           HB2      ASP  37 -13.745  -1.912  -6.958
  269    HB3  ASP  37           HB3      ASP  37 -12.412  -2.642  -6.071
  270    H    ILE  38           H        ILE  38 -11.399  -1.200  -3.696
  271    HA   ILE  38           HA       ILE  38 -12.282  -3.148  -1.732
  272    HB   ILE  38           HB       ILE  38  -9.901  -3.352  -1.041
  273   HG12  ILE  38          HG12      ILE  38  -9.392  -1.546  -3.423
  274   HG13  ILE  38          HG13      ILE  38  -9.174  -1.083  -1.744
  275   HG21  ILE  38          HG21      ILE  38  -9.194  -4.575  -3.060
  276   HG22  ILE  38          HG22      ILE  38 -10.492  -3.793  -3.962
  277   HG23  ILE  38          HG23      ILE  38 -10.879  -4.894  -2.643
  278   HD11  ILE  38          HD11      ILE  38  -7.409  -2.780  -1.526
  279   HD12  ILE  38          HD12      ILE  38  -7.059  -1.582  -2.773
  280   HD13  ILE  38          HD13      ILE  38  -7.623  -3.192  -3.234
  281    H    GLY  39           H        GLY  39 -12.578  -0.029  -1.812
  282    HA2  GLY  39           HA2      GLY  39 -13.375   1.305  -0.088
  283    HA3  GLY  39           HA3      GLY  39 -12.856   0.084   1.059
  284    H    TYR  40           H        TYR  40 -10.810   1.636  -1.347
  285    HA   TYR  40           HA       TYR  40  -9.467   2.951   0.868
  286    HB2  TYR  40           HB2      TYR  40  -8.215   1.553  -1.476
  287    HB3  TYR  40           HB3      TYR  40  -7.324   2.784  -0.580
  288    HD1  TYR  40           HD1      TYR  40  -9.143  -0.406  -0.183
  289    HD2  TYR  40           HD2      TYR  40  -6.295   2.272   1.469
  290    HE1  TYR  40           HE1      TYR  40  -8.656  -2.029   1.567
  291    HE2  TYR  40           HE2      TYR  40  -5.780   0.640   3.233
  292    HH   TYR  40           HH       TYR  40  -6.819  -1.274   4.330
  293    H    ASP  41           H        ASP  41  -9.176   4.958   0.855
  294    HA   ASP  41           HA       ASP  41 -10.481   6.404  -1.279
  295    HB2  ASP  41           HB2      ASP  41 -10.560   8.201   0.480
  296    HB3  ASP  41           HB3      ASP  41 -11.549   6.766   0.824
  297    H    SER  42           H        SER  42  -7.936   7.173   0.970
  298    HA   SER  42           HA       SER  42  -5.861   7.973  -0.655
  299    HB2  SER  42           HB2      SER  42  -7.266   9.689  -1.635
  300    HB3  SER  42           HB3      SER  42  -7.830  10.236  -0.041
  301    H    LEU  43           H        LEU  43  -7.899   8.894   2.091
  302    HA   LEU  43           HA       LEU  43  -5.831   9.705   3.829
  303    HB2  LEU  43           HB2      LEU  43  -8.573   8.559   4.371
  304    HB3  LEU  43           HB3      LEU  43  -7.522   9.200   5.617
  305    HG   LEU  43           HG       LEU  43  -8.522  10.843   3.295
  306   HD11  LEU  43          HD11      LEU  43 -10.120  11.793   4.887
  307   HD12  LEU  43          HD12      LEU  43  -9.590  10.644   6.115
  308   HD13  LEU  43          HD13      LEU  43 -10.408  10.067   4.663
  309   HD21  LEU  43          HD21      LEU  43  -7.267  11.551   5.936
  310   HD22  LEU  43          HD22      LEU  43  -7.832  12.694   4.717
  311   HD23  LEU  43          HD23      LEU  43  -6.479  11.619   4.361
  312    H    ALA  44           H        ALA  44  -7.706   6.705   3.709
  313    HA   ALA  44           HA       ALA  44  -6.111   5.241   5.525
  314    HB1  ALA  44           HB1      ALA  44  -8.418   4.664   5.085
  315    HB2  ALA  44           HB2      ALA  44  -7.412   3.301   4.579
  316    HB3  ALA  44           HB3      ALA  44  -8.073   4.444   3.382
  317    H    LEU  45           H        LEU  45  -6.061   5.782   2.139
  318    HA   LEU  45           HA       LEU  45  -4.306   3.695   1.378
  319    HB2  LEU  45           HB2      LEU  45  -5.914   4.977  -0.066
  320    HB3  LEU  45           HB3      LEU  45  -4.836   6.334  -0.039
  321    HG   LEU  45           HG       LEU  45  -4.236   3.624  -1.266
  322   HD11  LEU  45          HD11      LEU  45  -5.999   4.786  -2.441
  323   HD12  LEU  45          HD12      LEU  45  -4.519   4.768  -3.402
  324   HD13  LEU  45          HD13      LEU  45  -5.002   6.236  -2.550
  325   HD21  LEU  45          HD21      LEU  45  -2.193   4.804  -0.577
  326   HD22  LEU  45          HD22      LEU  45  -2.714   6.230  -1.476
  327   HD23  LEU  45          HD23      LEU  45  -2.337   4.736  -2.335
  328    H    MET  46           H        MET  46  -3.729   7.169   2.099
  329    HA   MET  46           HA       MET  46  -0.906   6.971   1.756
  330    HB2  MET  46           HB2      MET  46  -2.580   9.104   3.080
  331    HB3  MET  46           HB3      MET  46  -0.838   9.225   2.850
  332    HG2  MET  46           HG2      MET  46  -1.136   9.028   0.457
  333    HG3  MET  46           HG3      MET  46  -2.879   8.885   0.722
  334    HE1  MET  46           HE1      MET  46  -3.837  12.444   2.036
  335    HE2  MET  46           HE2      MET  46  -3.442  11.008   2.982
  336    HE3  MET  46           HE3      MET  46  -4.431  10.863   1.528
  337    H    GLU  47           H        GLU  47  -3.062   6.629   4.435
  338    HA   GLU  47           HA       GLU  47  -1.194   6.546   6.504
  339    HB2  GLU  47           HB2      GLU  47  -3.803   5.429   5.918
  340    HB3  GLU  47           HB3      GLU  47  -3.056   4.844   7.428
  341    HG2  GLU  47           HG2      GLU  47  -3.888   7.631   6.606
  342    HG3  GLU  47           HG3      GLU  47  -4.553   6.659   7.919
  343    H    THR  48           H        THR  48  -2.311   3.993   4.314
  344    HA   THR  48           HA       THR  48  -0.801   1.853   5.269
  345    HB   THR  48           HB       THR  48  -1.682   2.580   2.465
  346    HG1  THR  48           HG1      THR  48  -2.787   0.633   4.165
  347   HG21  THR  48          HG21      THR  48  -1.420   0.199   1.942
  348   HG22  THR  48          HG22      THR  48  -0.684  -0.066   3.525
  349   HG23  THR  48          HG23      THR  48   0.122   0.963   2.328
  350    H    ALA  49           H        ALA  49  -0.123   4.119   2.621
  351    HA   ALA  49           HA       ALA  49   2.396   3.213   1.908
  352    HB1  ALA  49           HB1      ALA  49   1.052   4.744   0.552
  353    HB2  ALA  49           HB2      ALA  49   2.691   5.356   0.792
  354    HB3  ALA  49           HB3      ALA  49   1.350   6.035   1.716
  355    H    ALA  50           H        ALA  50   1.579   5.868   4.139
  356    HA   ALA  50           HA       ALA  50   4.229   6.580   4.730
  357    HB1  ALA  50           HB1      ALA  50   1.788   6.988   6.436
  358    HB2  ALA  50           HB2      ALA  50   2.318   8.041   5.124
  359    HB3  ALA  50           HB3      ALA  50   3.317   7.857   6.566
  360    H    ARG  51           H        ARG  51   2.093   4.238   6.226
  361    HA   ARG  51           HA       ARG  51   3.778   3.775   8.441
  362    HB2  ARG  51           HB2      ARG  51   1.343   3.167   8.283
  363    HB3  ARG  51           HB3      ARG  51   1.813   1.823   7.255
  364    HG2  ARG  51           HG2      ARG  51   2.933   0.733   9.003
  365    HG3  ARG  51           HG3      ARG  51   2.925   2.182  10.016
  366    HD2  ARG  51           HD2      ARG  51   0.527   0.568   9.170
  367    HD3  ARG  51           HD3      ARG  51   1.229   0.635  10.790
  368    HE   ARG  51           HE       ARG  51   0.730   3.219  10.182
  369   HH11  ARG  51          HH11      ARG  51  -1.202   0.347  10.711
  370   HH12  ARG  51          HH12      ARG  51  -2.699   1.136  10.809
  371   HH21  ARG  51          HH21      ARG  51  -1.297   4.398  10.332
  372   HH22  ARG  51          HH22      ARG  51  -2.755   3.551  10.602
  373    H    LEU  52           H        LEU  52   3.529   2.286   5.256
  374    HA   LEU  52           HA       LEU  52   5.612   0.415   5.714
  375    HB2  LEU  52           HB2      LEU  52   4.614   1.574   3.102
  376    HB3  LEU  52           HB3      LEU  52   5.747   0.243   3.238
  377    HG   LEU  52           HG       LEU  52   2.909   0.189   4.236
  378   HD11  LEU  52          HD11      LEU  52   4.194  -1.120   1.842
  379   HD12  LEU  52          HD12      LEU  52   3.039   0.211   1.798
  380   HD13  LEU  52          HD13      LEU  52   2.538  -1.373   2.391
  381   HD21  LEU  52          HD21      LEU  52   3.346  -2.192   4.580
  382   HD22  LEU  52          HD22      LEU  52   4.420  -1.198   5.563
  383   HD23  LEU  52          HD23      LEU  52   5.024  -1.962   4.093
  384    H    GLU  53           H        GLU  53   5.544   3.726   4.587
  385    HA   GLU  53           HA       GLU  53   8.200   4.054   3.825
  386    HB2  GLU  53           HB2      GLU  53   6.394   6.006   5.196
  387    HB3  GLU  53           HB3      GLU  53   7.944   6.445   4.503
  388    HG2  GLU  53           HG2      GLU  53   7.072   5.753   2.293
  389    HG3  GLU  53           HG3      GLU  53   5.505   5.459   3.049
  390    H    SER  54           H        SER  54   6.769   4.679   6.974
  391    HA   SER  54           HA       SER  54   9.204   5.236   8.225
  392    HB2  SER  54           HB2      SER  54   7.803   4.826  10.351
  393    HB3  SER  54           HB3      SER  54   7.296   6.121   9.269
  394    HG   SER  54           HG       SER  54   5.632   4.931   8.577
  395    H    ARG  55           H        ARG  55   7.358   2.243   7.987
  396    HA   ARG  55           HA       ARG  55   8.978   0.739   9.733
  397    HB2  ARG  55           HB2      ARG  55   6.698   0.094   9.156
  398    HB3  ARG  55           HB3      ARG  55   7.201  -0.232   7.510
  399    HG2  ARG  55           HG2      ARG  55   8.532  -2.087   8.204
  400    HG3  ARG  55           HG3      ARG  55   8.295  -1.686   9.910
  401    HD2  ARG  55           HD2      ARG  55   6.162  -2.536   7.952
  402    HD3  ARG  55           HD3      ARG  55   6.828  -3.517   9.262
  403    HE   ARG  55           HE       ARG  55   5.987  -1.363  10.568
  404   HH11  ARG  55          HH11      ARG  55   4.276  -3.471   8.228
  405   HH12  ARG  55          HH12      ARG  55   2.734  -3.112   8.889
  406   HH21  ARG  55          HH21      ARG  55   3.821  -0.903  11.377
  407   HH22  ARG  55          HH22      ARG  55   2.475  -1.693  10.654
  408    H    TYR  56           H        TYR  56   9.086   0.958   6.158
  409    HA   TYR  56           HA       TYR  56  11.413  -0.802   6.290
  410    HB2  TYR  56           HB2      TYR  56   9.677  -0.098   3.932
  411    HB3  TYR  56           HB3      TYR  56  11.111  -1.112   3.850
  412    HD1  TYR  56           HD2      TYR  56  11.119  -3.187   5.465
  413    HD2  TYR  56           HD1      TYR  56   7.609  -1.106   4.275
  414    HE1  TYR  56           HE2      TYR  56   9.771  -5.176   5.993
  415    HE2  TYR  56           HE1      TYR  56   6.252  -3.083   4.806
  416    HH   TYR  56           HH       TYR  56   6.785  -5.729   4.905
  417    H    GLY  57           H        GLY  57  10.784   2.495   5.914
  418    HA2  GLY  57           HA2      GLY  57  12.394   4.150   5.730
  419    HA3  GLY  57           HA3      GLY  57  13.572   2.932   5.256
  420    H    VAL  58           H        VAL  58  10.561   4.306   4.027
  421    HA   VAL  58           HA       VAL  58  11.857   4.689   1.439
  422    HB   VAL  58           HB       VAL  58   9.881   3.902   0.160
  423   HG11  VAL  58          HG11      VAL  58  11.657   2.298   0.548
  424   HG12  VAL  58          HG12      VAL  58  10.052   1.532   0.527
  425   HG13  VAL  58          HG13      VAL  58  10.867   1.831   2.067
  426   HG21  VAL  58          HG21      VAL  58   8.118   2.609   1.229
  427   HG22  VAL  58          HG22      VAL  58   8.153   4.272   1.822
  428   HG23  VAL  58          HG23      VAL  58   8.813   2.966   2.808
  429    H    SER  59           H        SER  59  10.235   6.067  -0.062
  430    HA   SER  59           HA       SER  59   8.658   7.853   1.584
  431    HB2  SER  59           HB2      SER  59  10.747   8.774  -0.396
  432    HB3  SER  59           HB3      SER  59   9.641   9.807   0.519
  433    HG   SER  59           HG       SER  59  10.828   8.247   2.262
  434    H    ILE  60           H        ILE  60   6.764   7.767   0.770
  435    HA   ILE  60           HA       ILE  60   6.396   7.501  -2.129
  436    HB   ILE  60           HB       ILE  60   4.569   6.635   0.159
  437   HG12  ILE  60          HG12      ILE  60   4.524   4.451  -0.973
  438   HG13  ILE  60          HG13      ILE  60   5.481   5.096  -2.303
  439   HG21  ILE  60          HG21      ILE  60   2.792   6.140  -1.462
  440   HG22  ILE  60          HG22      ILE  60   3.746   6.902  -2.731
  441   HG23  ILE  60          HG23      ILE  60   3.151   7.865  -1.383
  442   HD11  ILE  60          HD11      ILE  60   6.769   3.685  -0.841
  443   HD12  ILE  60          HD12      ILE  60   6.345   4.694   0.542
  444   HD13  ILE  60          HD13      ILE  60   7.351   5.347  -0.751
  445    HA   PRO  61           HA       PRO  61   5.449  11.833  -1.764
  446    HB2  PRO  61           HB2      PRO  61   4.748  11.395  -4.619
  447    HB3  PRO  61           HB3      PRO  61   5.853  12.575  -3.905
  448    HG2  PRO  61           HG2      PRO  61   6.801  10.484  -5.218
  449    HG3  PRO  61           HG3      PRO  61   7.585  11.037  -3.725
  450    HD2  PRO  61           HD2      PRO  61   5.710   8.738  -4.145
  451    HD3  PRO  61           HD3      PRO  61   7.202   8.812  -3.178
  452    H    ASP  62           H        ASP  62   3.619  12.892  -1.370
  453    HA   ASP  62           HA       ASP  62   1.211  11.529  -0.889
  454    HB2  ASP  62           HB2      ASP  62   1.581  14.513  -1.183
  455    HB3  ASP  62           HB3      ASP  62   0.145  13.737  -0.545
  456    H    ASP  63           H        ASP  63   2.185  13.445  -3.654
  457    HA   ASP  63           HA       ASP  63  -0.439  13.713  -4.775
  458    HB2  ASP  63           HB2      ASP  63   2.253  13.968  -6.155
  459    HB3  ASP  63           HB3      ASP  63   0.718  14.383  -6.889
  460    H    VAL  64           H        VAL  64   2.005  11.351  -4.905
  461    HA   VAL  64           HA       VAL  64   0.971   9.881  -7.184
  462    HB   VAL  64           HB       VAL  64   2.841   8.989  -4.999
  463   HG11  VAL  64          HG11      VAL  64   3.623   7.361  -6.702
  464   HG12  VAL  64          HG12      VAL  64   2.407   7.974  -7.821
  465   HG13  VAL  64          HG13      VAL  64   1.909   7.162  -6.335
  466   HG21  VAL  64          HG21      VAL  64   3.516  10.257  -7.656
  467   HG22  VAL  64          HG22      VAL  64   4.688   9.561  -6.536
  468   HG23  VAL  64          HG23      VAL  64   3.749  10.979  -6.062
  469    H    ALA  65           H        ALA  65   1.096   9.453  -3.685
  470    HA   ALA  65           HA       ALA  65  -0.286   7.060  -3.514
  471    HB1  ALA  65           HB1      ALA  65   0.971   8.041  -1.666
  472    HB2  ALA  65           HB2      ALA  65  -0.685   7.613  -1.201
  473    HB3  ALA  65           HB3      ALA  65  -0.264   9.301  -1.527
  474    H    GLY  66           H        GLY  66  -1.562  10.358  -3.615
  475    HA2  GLY  66           HA2      GLY  66  -4.263   9.399  -3.172
  476    HA3  GLY  66           HA3      GLY  66  -3.783  11.060  -3.480
  477    H    ARG  67           H        ARG  67  -2.421   9.000  -5.734
  478    HA   ARG  67           HA       ARG  67  -4.602   9.525  -7.626
  479    HB2  ARG  67           HB2      ARG  67  -2.800  11.147  -7.939
  480    HB3  ARG  67           HB3      ARG  67  -1.644   9.839  -8.137
  481    HG2  ARG  67           HG2      ARG  67  -2.781   9.121 -10.142
  482    HG3  ARG  67           HG3      ARG  67  -3.972  10.410  -9.938
  483    HD2  ARG  67           HD2      ARG  67  -2.233  12.080 -10.197
  484    HD3  ARG  67           HD3      ARG  67  -1.012  10.809 -10.334
  485    HE   ARG  67           HE       ARG  67  -2.994  10.347 -12.225
  486   HH11  ARG  67          HH11      ARG  67  -0.507  12.829 -11.622
  487   HH12  ARG  67          HH12      ARG  67  -0.171  13.069 -13.268
  488   HH21  ARG  67          HH21      ARG  67  -2.564  10.734 -14.467
  489   HH22  ARG  67          HH22      ARG  67  -1.433  11.924 -14.933
  490    H    VAL  68           H        VAL  68  -2.402   7.187  -6.369
  491    HA   VAL  68           HA       VAL  68  -2.319   5.526  -8.687
  492    HB   VAL  68           HB       VAL  68  -1.512   3.701  -7.047
  493   HG11  VAL  68          HG11      VAL  68   0.001   6.311  -7.168
  494   HG12  VAL  68          HG12      VAL  68   0.026   5.031  -8.384
  495   HG13  VAL  68          HG13      VAL  68   0.686   4.732  -6.774
  496   HG21  VAL  68          HG21      VAL  68  -2.506   4.651  -4.992
  497   HG22  VAL  68          HG22      VAL  68  -1.431   6.049  -5.158
  498   HG23  VAL  68          HG23      VAL  68  -0.756   4.452  -4.852
  499    H    ASP  69           H        ASP  69  -3.505   3.840  -9.284
  500    HA   ASP  69           HA       ASP  69  -6.200   3.902  -8.177
  501    HB2  ASP  69           HB2      ASP  69  -5.866   4.398 -10.555
  502    HB3  ASP  69           HB3      ASP  69  -5.162   2.805 -10.779
  503    H    THR  70           H        THR  70  -3.578   1.693  -8.806
  504    HA   THR  70           HA       THR  70  -5.166  -0.394  -7.484
  505    HB   THR  70           HB       THR  70  -3.759  -2.038  -8.852
  506    HG1  THR  70           HG1      THR  70  -3.107   0.421 -10.095
  507   HG21  THR  70          HG21      THR  70  -6.134  -1.632  -9.311
  508   HG22  THR  70          HG22      THR  70  -5.240  -1.848 -10.817
  509   HG23  THR  70          HG23      THR  70  -5.708  -0.230 -10.291
  510    HA   PRO  71           HA       PRO  71  -2.093  -0.820  -4.316
  511    HB2  PRO  71           HB2      PRO  71  -2.447  -3.758  -4.719
  512    HB3  PRO  71           HB3      PRO  71  -2.554  -2.803  -3.239
  513    HG2  PRO  71           HG2      PRO  71  -4.757  -3.675  -4.419
  514    HG3  PRO  71           HG3      PRO  71  -4.692  -2.059  -3.694
  515    HD2  PRO  71           HD2      PRO  71  -4.570  -2.855  -6.567
  516    HD3  PRO  71           HD3      PRO  71  -5.352  -1.453  -5.815
  517    H    ARG  72           H        ARG  72  -1.853  -2.784  -7.207
  518    HA   ARG  72           HA       ARG  72   0.748  -3.706  -7.172
  519    HB2  ARG  72           HB2      ARG  72  -0.711  -4.301  -8.951
  520    HB3  ARG  72           HB3      ARG  72  -0.939  -2.628  -9.420
  521    HG2  ARG  72           HG2      ARG  72   1.391  -2.533 -10.175
  522    HG3  ARG  72           HG3      ARG  72   1.605  -4.220  -9.703
  523    HD2  ARG  72           HD2      ARG  72  -0.446  -3.251 -11.676
  524    HD3  ARG  72           HD3      ARG  72   1.135  -3.904 -12.129
  525    HE   ARG  72           HE       ARG  72   0.412  -5.902 -10.872
  526   HH11  ARG  72          HH11      ARG  72  -2.074  -3.792 -12.313
  527   HH12  ARG  72          HH12      ARG  72  -3.133  -5.089 -12.682
  528   HH21  ARG  72          HH21      ARG  72  -1.062  -7.629 -11.417
  529   HH22  ARG  72          HH22      ARG  72  -2.536  -7.315 -12.216
  530    H    GLU  73           H        GLU  73  -0.428  -0.559  -8.250
  531    HA   GLU  73           HA       GLU  73   2.044   0.491  -9.070
  532    HB2  GLU  73           HB2      GLU  73  -0.446   1.938  -8.182
  533    HB3  GLU  73           HB3      GLU  73   0.868   2.618  -9.136
  534    HG2  GLU  73           HG2      GLU  73   0.385   1.103 -10.945
  535    HG3  GLU  73           HG3      GLU  73  -0.865   0.320  -9.987
  536    H    LEU  74           H        LEU  74   0.293   0.572  -6.056
  537    HA   LEU  74           HA       LEU  74   2.021   2.429  -4.730
  538    HB2  LEU  74           HB2      LEU  74  -0.398   1.855  -4.171
  539    HB3  LEU  74           HB3      LEU  74   0.194   0.368  -3.465
  540    HG   LEU  74           HG       LEU  74   0.889   3.153  -2.473
  541   HD11  LEU  74          HD11      LEU  74  -1.458   2.700  -2.195
  542   HD12  LEU  74          HD12      LEU  74  -0.640   2.664  -0.631
  543   HD13  LEU  74          HD13      LEU  74  -1.098   1.154  -1.426
  544   HD21  LEU  74          HD21      LEU  74   1.310   0.455  -1.173
  545   HD22  LEU  74          HD22      LEU  74   1.702   2.027  -0.465
  546   HD23  LEU  74          HD23      LEU  74   2.565   1.461  -1.898
  547    H    LEU  75           H        LEU  75   1.733  -1.109  -4.746
  548    HA   LEU  75           HA       LEU  75   3.839  -1.673  -3.003
  549    HB2  LEU  75           HB2      LEU  75   2.171  -3.327  -3.812
  550    HB3  LEU  75           HB3      LEU  75   2.960  -3.320  -5.376
  551    HG   LEU  75           HG       LEU  75   5.023  -4.186  -4.314
  552   HD11  LEU  75          HD11      LEU  75   4.914  -5.050  -2.036
  553   HD12  LEU  75          HD12      LEU  75   3.291  -4.379  -1.855
  554   HD13  LEU  75          HD13      LEU  75   4.671  -3.305  -2.078
  555   HD21  LEU  75          HD21      LEU  75   3.423  -5.726  -5.335
  556   HD22  LEU  75          HD22      LEU  75   2.547  -5.835  -3.808
  557   HD23  LEU  75          HD23      LEU  75   4.195  -6.453  -3.927
  558    H    ASP  76           H        ASP  76   3.811  -1.190  -6.488
  559    HA   ASP  76           HA       ASP  76   6.534  -1.716  -6.957
  560    HB2  ASP  76           HB2      ASP  76   4.851  -1.640  -8.763
  561    HB3  ASP  76           HB3      ASP  76   4.676   0.095  -8.521
  562    H    LEU  77           H        LEU  77   4.859   1.174  -5.933
  563    HA   LEU  77           HA       LEU  77   6.976   3.026  -6.130
  564    HB2  LEU  77           HB2      LEU  77   4.741   2.875  -4.098
  565    HB3  LEU  77           HB3      LEU  77   5.801   4.249  -4.282
  566    HG   LEU  77           HG       LEU  77   3.901   3.257  -6.389
  567   HD11  LEU  77          HD11      LEU  77   2.572   5.218  -5.789
  568   HD12  LEU  77          HD12      LEU  77   3.695   5.578  -4.476
  569   HD13  LEU  77          HD13      LEU  77   2.728   4.102  -4.432
  570   HD21  LEU  77          HD21      LEU  77   5.554   5.774  -6.195
  571   HD22  LEU  77          HD22      LEU  77   4.391   5.399  -7.465
  572   HD23  LEU  77          HD23      LEU  77   5.853   4.424  -7.288
  573    H    ILE  78           H        ILE  78   5.885   0.974  -3.466
  574    HA   ILE  78           HA       ILE  78   7.868   1.591  -1.569
  575    HB   ILE  78           HB       ILE  78   6.656  -1.161  -1.932
  576   HG12  ILE  78          HG12      ILE  78   4.834   0.551  -1.888
  577   HG13  ILE  78          HG13      ILE  78   4.805  -0.511  -0.491
  578   HG21  ILE  78          HG21      ILE  78   7.700   0.306   0.482
  579   HG22  ILE  78          HG22      ILE  78   8.485  -1.033  -0.360
  580   HG23  ILE  78          HG23      ILE  78   6.969  -1.298   0.501
  581   HD11  ILE  78          HD11      ILE  78   5.872   2.301  -0.555
  582   HD12  ILE  78          HD12      ILE  78   5.836   1.244   0.857
  583   HD13  ILE  78          HD13      ILE  78   4.327   1.782   0.122
  584    H    ASN  79           H        ASN  79   7.657  -1.093  -3.882
  585    HA   ASN  79           HA       ASN  79  10.109  -2.333  -3.314
  586    HB2  ASN  79           HB2      ASN  79   8.441  -2.326  -5.829
  587    HB3  ASN  79           HB3      ASN  79   9.956  -3.199  -5.745
  588   HD21  ASN  79          HD21      ASN  79   7.677  -3.007  -3.024
  589   HD22  ASN  79          HD22      ASN  79   7.206  -4.678  -3.139
  590    H    GLY  80           H        GLY  80   9.363   0.119  -5.764
  591    HA2  GLY  80           HA2      GLY  80  11.955   0.330  -6.833
  592    HA3  GLY  80           HA3      GLY  80  10.707   1.565  -6.917
  593    H    ALA  81           H        ALA  81  10.405   1.970  -4.117
  594    HA   ALA  81           HA       ALA  81  12.537   3.780  -3.671
  595    HB1  ALA  81           HB1      ALA  81  10.257   4.198  -2.871
  596    HB2  ALA  81           HB2      ALA  81  11.431   4.262  -1.554
  597    HB3  ALA  81           HB3      ALA  81  10.404   2.842  -1.752
  598    H    LEU  82           H        LEU  82  11.800   0.573  -2.500
  599    HA   LEU  82           HA       LEU  82  13.871   0.368  -0.581
  600    HB2  LEU  82           HB2      LEU  82  12.536  -1.759  -2.267
  601    HB3  LEU  82           HB3      LEU  82  13.650  -2.107  -0.960
  602    HG   LEU  82           HG       LEU  82  11.031  -0.647  -0.592
  603   HD11  LEU  82          HD11      LEU  82  10.635  -2.925  -1.361
  604   HD12  LEU  82          HD12      LEU  82  10.194  -2.745   0.337
  605   HD13  LEU  82          HD13      LEU  82  11.705  -3.545  -0.105
  606   HD21  LEU  82          HD21      LEU  82  12.716  -0.174   1.115
  607   HD22  LEU  82          HD22      LEU  82  12.949  -1.903   1.373
  608   HD23  LEU  82          HD23      LEU  82  11.405  -1.150   1.775
  609    H    ALA  83           H        ALA  83  13.706  -0.252  -4.027
  610    HA   ALA  83           HA       ALA  83  16.292  -1.260  -4.420
  611    HB1  ALA  83           HB1      ALA  83  14.509  -1.452  -6.096
  612    HB2  ALA  83           HB2      ALA  83  15.965  -0.730  -6.775
  613    HB3  ALA  83           HB3      ALA  83  14.585   0.290  -6.365
  614    H    GLU  84           H        GLU  84  15.104   2.029  -4.138
  615    HA   GLU  84           HA       GLU  84  17.351   3.405  -5.136
  616    HB2  GLU  84           HB2      GLU  84  15.525   4.263  -2.899
  617    HB3  GLU  84           HB3      GLU  84  16.631   5.304  -3.774
  618    HG2  GLU  84           HG2      GLU  84  15.312   4.822  -5.833
  619    HG3  GLU  84           HG3      GLU  84  14.144   3.984  -4.801
  620    H    ALA  85           H        ALA  85  16.693   1.959  -2.044
  621    HA   ALA  85           HA       ALA  85  19.083   3.116  -0.860
  622    HB1  ALA  85           HB1      ALA  85  17.019   3.072   0.456
  623    HB2  ALA  85           HB2      ALA  85  18.292   2.128   1.225
  624    HB3  ALA  85           HB3      ALA  85  16.990   1.312   0.356
  625    H    ALA  86           H        ALA  86  18.634   0.679  -2.887
  626    HA   ALA  86           HA       ALA  86  20.402  -1.186  -1.493
  627    HB1  ALA  86           HB1      ALA  86  18.692  -1.591  -3.952
  628    HB2  ALA  86           HB2      ALA  86  18.300  -2.144  -2.325
  629    HB3  ALA  86           HB3      ALA  86  19.689  -2.823  -3.179
  630    H28  SXA  87          H28A      SXA  87  -7.975  13.236   0.301
  631   H28A  SXA  87          H28B      SXA  87  -6.915  12.330   1.379
  632    H30  SXA  87          H30A      SXA  87  -5.350  15.337   2.889
  633   H30A  SXA  87          H30B      SXA  87  -4.777  14.559   1.413
  634   H30B  SXA  87          H30C      SXA  87  -5.276  13.578   2.792
  635    H31  SXA  87          H31A      SXA  87  -7.078  16.589   1.534
  636   H31A  SXA  87          H31B      SXA  87  -8.167  15.685   0.483
  637   H31B  SXA  87          H31C      SXA  87  -6.453  15.802   0.085
  638    H32  SXA  87          H32A      SXA  87  -7.806  13.407   3.406
  639   HO33  SXA  87          H33A      SXA  87  -9.677  15.132   2.632
  640   HN36  SXA  87          H36A      SXA  87  -6.244  14.849   4.668
  641    H37  SXA  87          H37A      SXA  87  -7.074  17.554   5.324
  642   H37A  SXA  87          H37B      SXA  87  -7.361  16.351   6.567
  643    H38  SXA  87          H38A      SXA  87  -5.284  17.397   7.029
  644   H38A  SXA  87          H38B      SXA  87  -4.951  15.736   6.502
  645   HN41  SXA  87          H41A      SXA  87  -5.856  18.166   4.191
  646    H42  SXA  87          H42A      SXA  87  -3.160  18.936   3.454
  647   H42A  SXA  87          H42B      SXA  87  -4.042  17.938   2.300
  648    H43  SXA  87          H43A      SXA  87  -4.924  20.642   3.329
  649   H43A  SXA  87          H43B      SXA  87  -5.842  19.603   2.229
  650    H2   SXA  87           H2C      SXA  87  -2.801  18.359  -1.202
  651    H2A  SXA  87           H2A      SXA  87  -2.668  20.115  -1.063
  652    H2B  SXA  87           H2B      SXA  87  -3.940  19.401  -2.062
  Start of MODEL    8
    1    H1   MET   1           H1       MET   1  20.232  -7.851  -1.513
    2    H2   MET   1           H2       MET   1  19.947  -7.195   0.003
    3    H3   MET   1           H3       MET   1  21.520  -7.106  -0.675
    4    HA   MET   1           HA       MET   1  20.503  -4.994  -0.862
    5    HB2  MET   1           HB2      MET   1  21.810  -5.725  -2.803
    6    HB3  MET   1           HB3      MET   1  20.388  -6.500  -3.487
    7    HG2  MET   1           HG2      MET   1  19.301  -4.258  -3.558
    8    HG3  MET   1           HG3      MET   1  20.845  -3.560  -3.069
    9    HE1  MET   1           HE1      MET   1  20.186  -6.619  -5.469
   10    HE2  MET   1           HE2      MET   1  20.145  -5.814  -7.036
   11    HE3  MET   1           HE3      MET   1  18.881  -5.494  -5.847
   12    H    ALA   2           H        ALA   2  18.645  -4.307  -0.169
   13    HA   ALA   2           HA       ALA   2  16.542  -3.548  -0.212
   14    HB1  ALA   2           HB1      ALA   2  16.131  -5.013  -2.813
   15    HB2  ALA   2           HB2      ALA   2  16.743  -3.365  -2.656
   16    HB3  ALA   2           HB3      ALA   2  15.101  -3.750  -2.135
   17    H    THR   3           H        THR   3  14.617  -4.071   0.574
   18    HA   THR   3           HA       THR   3  13.997  -6.907   0.941
   19    HB   THR   3           HB       THR   3  13.093  -4.406   2.424
   20    HG1  THR   3           HG1      THR   3  14.826  -6.532   3.088
   21   HG21  THR   3          HG21      THR   3  12.540  -7.329   3.034
   22   HG22  THR   3          HG22      THR   3  11.356  -6.165   2.439
   23   HG23  THR   3          HG23      THR   3  12.059  -5.963   4.041
   24    H    LEU   4           H        LEU   4  12.673  -7.404  -0.752
   25    HA   LEU   4           HA       LEU   4  10.987  -5.288  -1.796
   26    HB2  LEU   4           HB2      LEU   4  11.531  -8.039  -2.888
   27    HB3  LEU   4           HB3      LEU   4  10.565  -6.806  -3.670
   28    HG   LEU   4           HG       LEU   4  13.523  -6.614  -3.101
   29   HD11  LEU   4          HD11      LEU   4  13.011  -8.202  -4.850
   30   HD12  LEU   4          HD12      LEU   4  13.755  -6.749  -5.522
   31   HD13  LEU   4          HD13      LEU   4  12.014  -7.000  -5.667
   32   HD21  LEU   4          HD21      LEU   4  12.440  -4.427  -3.003
   33   HD22  LEU   4          HD22      LEU   4  11.681  -4.723  -4.568
   34   HD23  LEU   4          HD23      LEU   4  13.433  -4.568  -4.456
   35    H    LEU   5           H        LEU   5   9.173  -5.057  -0.886
   36    HA   LEU   5           HA       LEU   5   7.841  -7.068   0.576
   37    HB2  LEU   5           HB2      LEU   5   6.729  -4.475  -0.477
   38    HB3  LEU   5           HB3      LEU   5   5.996  -5.487   0.745
   39    HG   LEU   5           HG       LEU   5   8.485  -3.825   0.977
   40   HD11  LEU   5          HD11      LEU   5   6.377  -2.671   1.281
   41   HD12  LEU   5          HD12      LEU   5   7.264  -2.782   2.799
   42   HD13  LEU   5          HD13      LEU   5   5.893  -3.849   2.501
   43   HD21  LEU   5          HD21      LEU   5   7.425  -5.855   2.943
   44   HD22  LEU   5          HD22      LEU   5   8.734  -4.710   3.251
   45   HD23  LEU   5          HD23      LEU   5   8.933  -5.975   2.037
   46    H    THR   6           H        THR   6   6.138  -8.258   0.076
   47    HA   THR   6           HA       THR   6   5.623  -8.553  -2.770
   48    HB   THR   6           HB       THR   6   4.853 -10.865  -2.121
   49    HG1  THR   6           HG1      THR   6   5.681  -9.925   0.444
   50   HG21  THR   6          HG21      THR   6   7.705 -10.156  -1.397
   51   HG22  THR   6          HG22      THR   6   7.107 -10.488  -3.023
   52   HG23  THR   6          HG23      THR   6   7.122 -11.769  -1.811
   53    H    THR   7           H        THR   7   3.305  -9.909  -2.799
   54    HA   THR   7           HA       THR   7   1.307  -8.047  -2.582
   55    HB   THR   7           HB       THR   7   1.016 -11.048  -2.415
   56    HG1  THR   7           HG1      THR   7   1.059 -10.933  -4.708
   57   HG21  THR   7          HG21      THR   7  -1.049  -9.761  -2.119
   58   HG22  THR   7          HG22      THR   7  -1.051 -10.635  -3.653
   59   HG23  THR   7          HG23      THR   7  -0.725  -8.901  -3.623
   60    H    ASP   8           H        ASP   8   2.035 -10.766  -0.371
   61    HA   ASP   8           HA       ASP   8  -0.026 -10.259   1.468
   62    HB2  ASP   8           HB2      ASP   8   1.102 -12.416   1.367
   63    HB3  ASP   8           HB3      ASP   8   2.592 -11.687   1.950
   64    H    ASP   9           H        ASP   9   3.153  -8.847   1.284
   65    HA   ASP   9           HA       ASP   9   3.258  -7.716   3.909
   66    HB2  ASP   9           HB2      ASP   9   4.519  -6.757   1.326
   67    HB3  ASP   9           HB3      ASP   9   4.846  -5.993   2.869
   68    H    LEU  10           H        LEU  10   2.208  -6.515   0.802
   69    HA   LEU  10           HA       LEU  10   1.275  -4.011   1.730
   70    HB2  LEU  10           HB2      LEU  10   1.861  -4.524  -0.625
   71    HB3  LEU  10           HB3      LEU  10   0.455  -5.563  -0.726
   72    HG   LEU  10           HG       LEU  10  -0.990  -3.590  -0.339
   73   HD11  LEU  10          HD11      LEU  10   1.589  -2.041  -0.552
   74   HD12  LEU  10          HD12      LEU  10   0.585  -2.205   0.892
   75   HD13  LEU  10          HD13      LEU  10  -0.036  -1.352  -0.518
   76   HD21  LEU  10          HD21      LEU  10  -0.506  -4.365  -2.591
   77   HD22  LEU  10          HD22      LEU  10   0.936  -3.351  -2.638
   78   HD23  LEU  10          HD23      LEU  10  -0.663  -2.610  -2.550
   79    H    ARG  11           H        ARG  11  -0.253  -7.110   1.093
   80    HA   ARG  11           HA       ARG  11  -2.917  -6.668   1.598
   81    HB2  ARG  11           HB2      ARG  11  -2.070  -8.808   0.891
   82    HB3  ARG  11           HB3      ARG  11  -1.155  -8.988   2.375
   83    HG2  ARG  11           HG2      ARG  11  -3.300  -9.100   3.612
   84    HG3  ARG  11           HG3      ARG  11  -4.140  -9.072   2.053
   85    HD2  ARG  11           HD2      ARG  11  -3.005 -11.088   1.368
   86    HD3  ARG  11           HD3      ARG  11  -2.067 -11.102   2.860
   87    HE   ARG  11           HE       ARG  11  -4.991 -11.276   2.930
   88   HH11  ARG  11          HH11      ARG  11  -1.782 -12.703   3.739
   89   HH12  ARG  11          HH12      ARG  11  -2.516 -13.986   4.603
   90   HH21  ARG  11          HH21      ARG  11  -5.847 -13.098   4.172
   91   HH22  ARG  11          HH22      ARG  11  -4.716 -14.209   4.851
   92    H    ARG  12           H        ARG  12  -0.527  -7.694   4.003
   93    HA   ARG  12           HA       ARG  12  -2.135  -7.339   6.248
   94    HB2  ARG  12           HB2      ARG  12   0.801  -7.557   5.823
   95    HB3  ARG  12           HB3      ARG  12   0.159  -7.213   7.428
   96    HG2  ARG  12           HG2      ARG  12  -0.787  -9.257   7.654
   97    HG3  ARG  12           HG3      ARG  12  -1.055  -9.444   5.921
   98    HD2  ARG  12           HD2      ARG  12   0.655 -10.956   6.904
   99    HD3  ARG  12           HD3      ARG  12   1.198  -9.986   5.544
  100    HE   ARG  12           HE       ARG  12   1.755  -8.866   8.144
  101   HH11  ARG  12          HH11      ARG  12   2.856 -10.943   5.497
  102   HH12  ARG  12          HH12      ARG  12   4.508 -10.827   5.878
  103   HH21  ARG  12          HH21      ARG  12   4.051  -8.636   8.678
  104   HH22  ARG  12          HH22      ARG  12   5.207  -9.484   7.752
  105    H    ALA  13           H        ALA  13  -0.046  -5.058   4.593
  106    HA   ALA  13           HA       ALA  13  -0.205  -3.014   6.528
  107    HB1  ALA  13           HB1      ALA  13   1.438  -2.967   4.698
  108    HB2  ALA  13           HB2      ALA  13   0.475  -1.490   4.732
  109    HB3  ALA  13           HB3      ALA  13   0.130  -2.741   3.535
  110    H    LEU  14           H        LEU  14  -2.219  -3.810   3.740
  111    HA   LEU  14           HA       LEU  14  -4.030  -1.693   4.121
  112    HB2  LEU  14           HB2      LEU  14  -4.102  -4.194   2.509
  113    HB3  LEU  14           HB3      LEU  14  -5.618  -3.386   2.824
  114    HG   LEU  14           HG       LEU  14  -4.761  -1.346   1.740
  115   HD11  LEU  14          HD11      LEU  14  -2.340  -2.997   1.087
  116   HD12  LEU  14          HD12      LEU  14  -2.397  -1.600   2.165
  117   HD13  LEU  14          HD13      LEU  14  -2.712  -1.399   0.441
  118   HD21  LEU  14          HD21      LEU  14  -4.536  -3.831   0.070
  119   HD22  LEU  14          HD22      LEU  14  -4.761  -2.192  -0.542
  120   HD23  LEU  14          HD23      LEU  14  -6.012  -2.946   0.445
  121    H    VAL  15           H        VAL  15  -3.857  -4.844   5.548
  122    HA   VAL  15           HA       VAL  15  -6.442  -4.835   6.721
  123    HB   VAL  15           HB       VAL  15  -3.895  -6.133   7.782
  124   HG11  VAL  15          HG11      VAL  15  -5.601  -5.935   9.521
  125   HG12  VAL  15          HG12      VAL  15  -5.395  -7.620   9.040
  126   HG13  VAL  15          HG13      VAL  15  -6.786  -6.701   8.460
  127   HG21  VAL  15          HG21      VAL  15  -6.108  -7.291   6.084
  128   HG22  VAL  15          HG22      VAL  15  -4.748  -8.192   6.750
  129   HG23  VAL  15          HG23      VAL  15  -4.468  -6.931   5.548
  130    H    GLU  16           H        GLU  16  -3.274  -4.047   8.138
  131    HA   GLU  16           HA       GLU  16  -4.347  -3.110  10.556
  132    HB2  GLU  16           HB2      GLU  16  -2.104  -2.307  11.075
  133    HB3  GLU  16           HB3      GLU  16  -2.087  -3.944  10.445
  134    HG2  GLU  16           HG2      GLU  16  -1.333  -3.133   8.292
  135    HG3  GLU  16           HG3      GLU  16  -1.436  -1.471   8.869
  136    H    SER  17           H        SER  17  -3.723  -1.383   7.562
  137    HA   SER  17           HA       SER  17  -3.903   1.199   8.811
  138    HB2  SER  17           HB2      SER  17  -4.156   0.511   5.871
  139    HB3  SER  17           HB3      SER  17  -3.859   2.112   6.551
  140    HG   SER  17           HG       SER  17  -2.190  -0.148   6.507
  141    H    ALA  18           H        ALA  18  -6.157  -1.012   7.263
  142    HA   ALA  18           HA       ALA  18  -8.311   0.876   7.166
  143    HB1  ALA  18           HB1      ALA  18  -8.237  -1.045   5.635
  144    HB2  ALA  18           HB2      ALA  18  -9.712  -1.055   6.603
  145    HB3  ALA  18           HB3      ALA  18  -8.382  -2.142   7.009
  146    H    GLY  19           H        GLY  19  -7.001  -1.300   9.449
  147    HA2  GLY  19           HA2      GLY  19  -7.338  -1.079  11.771
  148    HA3  GLY  19           HA3      GLY  19  -8.897  -0.326  11.443
  149    H    GLU  20           H        GLU  20 -10.586  -1.678  10.616
  150    HA   GLU  20           HA       GLU  20 -10.370  -4.329  11.801
  151    HB2  GLU  20           HB2      GLU  20 -12.801  -2.645  11.242
  152    HB3  GLU  20           HB3      GLU  20 -12.877  -4.321  11.766
  153    HG2  GLU  20           HG2      GLU  20 -11.714  -1.996  13.278
  154    HG3  GLU  20           HG3      GLU  20 -13.190  -2.885  13.656
  155    H    THR  21           H        THR  21 -11.673  -6.012  10.807
  156    HA   THR  21           HA       THR  21 -10.868  -6.261   8.077
  157    HB   THR  21           HB       THR  21 -12.382  -8.196   9.860
  158    HG1  THR  21           HG1      THR  21 -10.267  -7.431  10.631
  159   HG21  THR  21          HG21      THR  21 -12.438  -8.747   7.445
  160   HG22  THR  21          HG22      THR  21 -11.458  -9.904   8.346
  161   HG23  THR  21          HG23      THR  21 -10.678  -8.644   7.390
  162    H    ASP  22           H        ASP  22 -12.160  -4.683   7.203
  163    HA   ASP  22           HA       ASP  22 -14.854  -4.201   7.142
  164    HB2  ASP  22           HB2      ASP  22 -13.325  -2.872   5.808
  165    HB3  ASP  22           HB3      ASP  22 -12.961  -4.247   4.779
  166    H    GLY  23           H        GLY  23 -13.205  -6.623   5.174
  167    HA2  GLY  23           HA2      GLY  23 -14.248  -8.776   4.842
  168    HA3  GLY  23           HA3      GLY  23 -15.805  -7.940   4.803
  169    H    THR  24           H        THR  24 -12.826  -8.511   3.111
  170    HA   THR  24           HA       THR  24 -14.090  -8.083   0.606
  171    HB   THR  24           HB       THR  24 -13.461  -5.735   1.390
  172    HG1  THR  24           HG1      THR  24 -13.046  -5.151  -0.505
  173   HG21  THR  24          HG21      THR  24 -11.087  -5.064   1.286
  174   HG22  THR  24          HG22      THR  24 -10.630  -6.752   1.057
  175   HG23  THR  24          HG23      THR  24 -11.384  -6.242   2.568
  176    H    ASP  25           H        ASP  25 -12.612  -8.897  -1.125
  177    HA   ASP  25           HA       ASP  25 -10.977 -10.986   0.022
  178    HB2  ASP  25           HB2      ASP  25 -12.496 -11.361  -1.984
  179    HB3  ASP  25           HB3      ASP  25 -11.338 -10.424  -2.927
  180    H    LEU  26           H        LEU  26  -9.125 -10.380   0.742
  181    HA   LEU  26           HA       LEU  26  -7.532  -8.455  -0.811
  182    HB2  LEU  26           HB2      LEU  26  -8.446  -7.781   1.446
  183    HB3  LEU  26           HB3      LEU  26  -7.434  -9.019   2.152
  184    HG   LEU  26           HG       LEU  26  -5.436  -7.801   1.300
  185   HD11  LEU  26          HD11      LEU  26  -6.493  -6.656  -0.570
  186   HD12  LEU  26          HD12      LEU  26  -5.723  -5.503   0.521
  187   HD13  LEU  26          HD13      LEU  26  -7.474  -5.714   0.551
  188   HD21  LEU  26          HD21      LEU  26  -5.565  -5.982   2.926
  189   HD22  LEU  26          HD22      LEU  26  -6.227  -7.477   3.584
  190   HD23  LEU  26          HD23      LEU  26  -7.312  -6.198   3.032
  191    H    SER  27           H        SER  27  -7.747 -11.573  -0.642
  192    HA   SER  27           HA       SER  27  -4.919 -12.101  -0.072
  193    HB2  SER  27           HB2      SER  27  -7.223 -14.040  -0.294
  194    HB3  SER  27           HB3      SER  27  -5.552 -14.446   0.120
  195    HG   SER  27           HG       SER  27  -6.735 -12.459   1.616
  196    H    GLY  28           H        GLY  28  -3.633 -12.951  -1.668
  197    HA2  GLY  28           HA2      GLY  28  -3.118 -13.865  -3.739
  198    HA3  GLY  28           HA3      GLY  28  -4.828 -13.807  -4.170
  199    H    ASP  29           H        ASP  29  -4.547 -12.744  -6.143
  200    HA   ASP  29           HA       ASP  29  -3.028 -10.303  -6.062
  201    HB2  ASP  29           HB2      ASP  29  -2.922 -11.738  -8.096
  202    HB3  ASP  29           HB3      ASP  29  -4.626 -11.400  -8.388
  203    H    PHE  30           H        PHE  30  -4.295  -9.294  -4.498
  204    HA   PHE  30           HA       PHE  30  -6.822  -8.185  -5.403
  205    HB2  PHE  30           HB2      PHE  30  -6.796  -6.863  -3.323
  206    HB3  PHE  30           HB3      PHE  30  -6.437  -8.543  -2.964
  207    HD1  PHE  30           HD2      PHE  30  -4.188  -9.195  -2.251
  208    HD2  PHE  30           HD1      PHE  30  -5.168  -5.128  -2.997
  209    HE1  PHE  30           HE2      PHE  30  -2.167  -8.486  -1.054
  210    HE2  PHE  30           HE1      PHE  30  -3.149  -4.416  -1.796
  211    HZ   PHE  30           HZ       PHE  30  -1.645  -6.097  -0.825
  212    H    LEU  31           H        LEU  31  -3.707  -7.809  -5.997
  213    HA   LEU  31           HA       LEU  31  -3.018  -5.137  -6.092
  214    HB2  LEU  31           HB2      LEU  31  -2.142  -7.250  -8.036
  215    HB3  LEU  31           HB3      LEU  31  -1.290  -5.778  -7.620
  216    HG   LEU  31           HG       LEU  31  -1.773  -8.118  -5.773
  217   HD11  LEU  31          HD11      LEU  31   0.630  -8.463  -5.947
  218   HD12  LEU  31          HD12      LEU  31   0.722  -7.166  -7.140
  219   HD13  LEU  31          HD13      LEU  31  -0.184  -8.635  -7.502
  220   HD21  LEU  31          HD21      LEU  31  -1.687  -6.001  -4.535
  221   HD22  LEU  31          HD22      LEU  31  -0.148  -5.609  -5.312
  222   HD23  LEU  31          HD23      LEU  31  -0.269  -7.003  -4.232
  223    H    ASP  32           H        ASP  32  -5.035  -6.929  -8.301
  224    HA   ASP  32           HA       ASP  32  -4.993  -4.861 -10.358
  225    HB2  ASP  32           HB2      ASP  32  -4.956  -7.122 -11.141
  226    HB3  ASP  32           HB3      ASP  32  -6.312  -7.566 -10.126
  227    H    LEU  33           H        LEU  33  -6.723  -5.396  -7.536
  228    HA   LEU  33           HA       LEU  33  -9.297  -4.456  -8.440
  229    HB2  LEU  33           HB2      LEU  33  -8.164  -4.962  -5.695
  230    HB3  LEU  33           HB3      LEU  33  -9.804  -4.423  -5.988
  231    HG   LEU  33           HG       LEU  33  -8.672  -7.042  -6.986
  232   HD11  LEU  33          HD11      LEU  33  -8.795  -6.972  -4.552
  233   HD12  LEU  33          HD12      LEU  33 -10.029  -8.048  -5.223
  234   HD13  LEU  33          HD13      LEU  33 -10.469  -6.430  -4.657
  235   HD21  LEU  33          HD21      LEU  33 -10.509  -6.151  -8.330
  236   HD22  LEU  33          HD22      LEU  33 -11.486  -5.968  -6.873
  237   HD23  LEU  33          HD23      LEU  33 -11.009  -7.575  -7.419
  238    H    ARG  34           H        ARG  34 -10.165  -2.454  -7.913
  239    HA   ARG  34           HA       ARG  34  -8.300  -0.243  -7.862
  240    HB2  ARG  34           HB2      ARG  34 -11.305  -0.356  -7.663
  241    HB3  ARG  34           HB3      ARG  34 -10.366   1.119  -7.820
  242    HG2  ARG  34           HG2      ARG  34  -9.767   0.636 -10.020
  243    HG3  ARG  34           HG3      ARG  34 -10.199  -1.071  -9.852
  244    HD2  ARG  34           HD2      ARG  34 -12.156   1.212  -9.699
  245    HD3  ARG  34           HD3      ARG  34 -11.864   0.234 -11.143
  246    HE   ARG  34           HE       ARG  34 -12.390  -1.583  -9.178
  247   HH11  ARG  34          HH11      ARG  34 -14.222   1.192 -10.446
  248   HH12  ARG  34          HH12      ARG  34 -15.733   0.439 -10.260
  249   HH21  ARG  34          HH21      ARG  34 -14.503  -2.608  -8.906
  250   HH22  ARG  34          HH22      ARG  34 -15.882  -1.761  -9.401
  251    H    PHE  35           H        PHE  35  -7.830   1.083  -6.124
  252    HA   PHE  35           HA       PHE  35  -8.075   0.219  -3.504
  253    HB2  PHE  35           HB2      PHE  35  -7.684   3.001  -4.580
  254    HB3  PHE  35           HB3      PHE  35  -7.762   2.680  -2.856
  255    HD1  PHE  35           HD2      PHE  35  -6.106   0.918  -1.947
  256    HD2  PHE  35           HD1      PHE  35  -5.668   2.882  -5.693
  257    HE1  PHE  35           HE2      PHE  35  -3.696   0.428  -1.914
  258    HE2  PHE  35           HE1      PHE  35  -3.260   2.400  -5.668
  259    HZ   PHE  35           HZ       PHE  35  -2.270   1.173  -3.778
  260    H    GLU  36           H        GLU  36 -10.165   2.514  -5.198
  261    HA   GLU  36           HA       GLU  36 -11.929   3.163  -3.159
  262    HB2  GLU  36           HB2      GLU  36 -13.567   3.687  -4.922
  263    HB3  GLU  36           HB3      GLU  36 -11.966   4.286  -5.329
  264    HG2  GLU  36           HG2      GLU  36 -11.629   2.443  -6.866
  265    HG3  GLU  36           HG3      GLU  36 -13.174   1.739  -6.400
  266    H    ASP  37           H        ASP  37 -11.711   0.282  -5.006
  267    HA   ASP  37           HA       ASP  37 -14.368  -0.647  -4.367
  268    HB2  ASP  37           HB2      ASP  37 -13.461  -0.968  -6.599
  269    HB3  ASP  37           HB3      ASP  37 -12.128  -1.900  -5.939
  270    H    ILE  38           H        ILE  38 -11.118  -1.108  -3.242
  271    HA   ILE  38           HA       ILE  38 -11.965  -3.402  -1.637
  272    HB   ILE  38           HB       ILE  38  -9.585  -3.586  -0.917
  273   HG12  ILE  38          HG12      ILE  38  -9.132  -1.380  -2.948
  274   HG13  ILE  38          HG13      ILE  38  -8.941  -1.234  -1.207
  275   HG21  ILE  38          HG21      ILE  38 -10.411  -4.917  -2.746
  276   HG22  ILE  38          HG22      ILE  38  -8.742  -4.435  -3.052
  277   HG23  ILE  38          HG23      ILE  38 -10.063  -3.616  -3.885
  278   HD11  ILE  38          HD11      ILE  38  -7.304  -2.993  -3.019
  279   HD12  ILE  38          HD12      ILE  38  -7.103  -2.817  -1.271
  280   HD13  ILE  38          HD13      ILE  38  -6.805  -1.446  -2.335
  281    H    GLY  39           H        GLY  39 -12.831  -0.663  -1.230
  282    HA2  GLY  39           HA2      GLY  39 -13.558   0.502   0.613
  283    HA3  GLY  39           HA3      GLY  39 -12.793  -0.719   1.615
  284    H    TYR  40           H        TYR  40 -10.853   0.928  -0.739
  285    HA   TYR  40           HA       TYR  40  -9.676   2.378   1.462
  286    HB2  TYR  40           HB2      TYR  40  -8.439   0.941  -0.777
  287    HB3  TYR  40           HB3      TYR  40  -7.743   2.529  -0.453
  288    HD1  TYR  40           HD1      TYR  40  -8.974  -0.398   1.526
  289    HD2  TYR  40           HD2      TYR  40  -6.025   2.604   1.006
  290    HE1  TYR  40           HE1      TYR  40  -7.809  -1.206   3.522
  291    HE2  TYR  40           HE2      TYR  40  -4.844   1.805   2.987
  292    HH   TYR  40           HH       TYR  40  -5.745  -1.099   4.606
  293    H    ASP  41           H        ASP  41 -10.455   4.129   1.648
  294    HA   ASP  41           HA       ASP  41 -11.661   5.747  -0.258
  295    HB2  ASP  41           HB2      ASP  41 -12.186   5.824   2.103
  296    HB3  ASP  41           HB3      ASP  41 -10.525   6.315   2.434
  297    H    SER  42           H        SER  42  -8.754   6.765   1.570
  298    HA   SER  42           HA       SER  42  -7.035   7.187  -0.603
  299    HB2  SER  42           HB2      SER  42  -7.172   9.701  -0.764
  300    HB3  SER  42           HB3      SER  42  -8.557   8.843  -1.452
  301    H    LEU  43           H        LEU  43  -8.051   8.904   2.329
  302    HA   LEU  43           HA       LEU  43  -5.378   9.492   3.097
  303    HB2  LEU  43           HB2      LEU  43  -7.893   9.394   4.768
  304    HB3  LEU  43           HB3      LEU  43  -6.349   9.979   5.360
  305    HG   LEU  43           HG       LEU  43  -7.976  11.214   3.132
  306   HD11  LEU  43          HD11      LEU  43  -8.941  11.585   5.331
  307   HD12  LEU  43          HD12      LEU  43  -8.254  13.075   4.683
  308   HD13  LEU  43          HD13      LEU  43  -7.388  12.170   5.924
  309   HD21  LEU  43          HD21      LEU  43  -5.370  12.105   4.371
  310   HD22  LEU  43          HD22      LEU  43  -6.308  13.006   3.180
  311   HD23  LEU  43          HD23      LEU  43  -5.574  11.462   2.742
  312    H    ALA  44           H        ALA  44  -7.576   6.901   3.863
  313    HA   ALA  44           HA       ALA  44  -5.866   5.402   5.547
  314    HB1  ALA  44           HB1      ALA  44  -8.264   4.928   5.321
  315    HB2  ALA  44           HB2      ALA  44  -7.292   3.491   5.004
  316    HB3  ALA  44           HB3      ALA  44  -7.999   4.391   3.661
  317    H    LEU  45           H        LEU  45  -6.068   5.729   2.105
  318    HA   LEU  45           HA       LEU  45  -4.443   3.515   1.351
  319    HB2  LEU  45           HB2      LEU  45  -6.036   4.753  -0.095
  320    HB3  LEU  45           HB3      LEU  45  -5.016   6.149  -0.076
  321    HG   LEU  45           HG       LEU  45  -4.499   3.480  -1.434
  322   HD11  LEU  45          HD11      LEU  45  -5.045   6.222  -2.527
  323   HD12  LEU  45          HD12      LEU  45  -6.149   4.842  -2.518
  324   HD13  LEU  45          HD13      LEU  45  -4.672   4.786  -3.482
  325   HD21  LEU  45          HD21      LEU  45  -2.751   5.953  -1.499
  326   HD22  LEU  45          HD22      LEU  45  -2.508   4.485  -2.449
  327   HD23  LEU  45          HD23      LEU  45  -2.349   4.436  -0.693
  328    H    MET  46           H        MET  46  -3.863   6.937   1.921
  329    HA   MET  46           HA       MET  46  -1.071   6.959   1.547
  330    HB2  MET  46           HB2      MET  46  -2.854   8.738   3.194
  331    HB3  MET  46           HB3      MET  46  -1.143   9.041   2.931
  332    HG2  MET  46           HG2      MET  46  -1.521   9.134   0.555
  333    HG3  MET  46           HG3      MET  46  -3.239   8.819   0.837
  334    HE1  MET  46           HE1      MET  46  -3.024  12.595  -0.322
  335    HE2  MET  46           HE2      MET  46  -3.676  10.999  -0.694
  336    HE3  MET  46           HE3      MET  46  -1.939  11.291  -0.810
  337    H    GLU  47           H        GLU  47  -3.087   6.336   4.277
  338    HA   GLU  47           HA       GLU  47  -1.311   6.225   6.385
  339    HB2  GLU  47           HB2      GLU  47  -3.742   6.101   6.397
  340    HB3  GLU  47           HB3      GLU  47  -3.678   4.491   5.750
  341    HG2  GLU  47           HG2      GLU  47  -4.119   4.363   8.120
  342    HG3  GLU  47           HG3      GLU  47  -2.544   3.667   7.756
  343    H    THR  48           H        THR  48  -2.205   3.683   4.056
  344    HA   THR  48           HA       THR  48  -0.541   1.631   4.974
  345    HB   THR  48           HB       THR  48  -1.553   2.323   2.215
  346    HG1  THR  48           HG1      THR  48  -2.709   1.358   4.404
  347   HG21  THR  48          HG21      THR  48  -0.345  -0.283   3.188
  348   HG22  THR  48          HG22      THR  48   0.381   0.840   2.033
  349   HG23  THR  48          HG23      THR  48  -1.098  -0.017   1.610
  350    H    ALA  49           H        ALA  49  -0.028   3.976   2.353
  351    HA   ALA  49           HA       ALA  49   2.542   3.221   1.589
  352    HB1  ALA  49           HB1      ALA  49   1.092   4.692   0.270
  353    HB2  ALA  49           HB2      ALA  49   2.692   5.390   0.508
  354    HB3  ALA  49           HB3      ALA  49   1.325   5.975   1.456
  355    H    ALA  50           H        ALA  50   1.542   5.746   3.862
  356    HA   ALA  50           HA       ALA  50   4.122   6.675   4.506
  357    HB1  ALA  50           HB1      ALA  50   2.088   7.977   4.837
  358    HB2  ALA  50           HB2      ALA  50   3.024   7.835   6.326
  359    HB3  ALA  50           HB3      ALA  50   1.577   6.853   6.095
  360    H    ARG  51           H        ARG  51   2.106   4.184   5.813
  361    HA   ARG  51           HA       ARG  51   3.543   3.694   8.169
  362    HB2  ARG  51           HB2      ARG  51   1.264   2.904   7.659
  363    HB3  ARG  51           HB3      ARG  51   1.946   1.788   6.490
  364    HG2  ARG  51           HG2      ARG  51   2.942   0.500   8.158
  365    HG3  ARG  51           HG3      ARG  51   2.683   1.753   9.385
  366    HD2  ARG  51           HD2      ARG  51   0.554   0.209   7.936
  367    HD3  ARG  51           HD3      ARG  51   1.030   0.005   9.627
  368    HE   ARG  51           HE       ARG  51   0.131   2.624   8.739
  369   HH11  ARG  51          HH11      ARG  51  -0.557  -0.300  10.628
  370   HH12  ARG  51          HH12      ARG  51  -1.843   0.418  11.499
  371   HH21  ARG  51          HH21      ARG  51  -1.595   3.583   9.916
  372   HH22  ARG  51          HH22      ARG  51  -2.482   2.684  11.051
  373    H    LEU  52           H        LEU  52   3.691   2.252   4.943
  374    HA   LEU  52           HA       LEU  52   5.882   0.603   5.631
  375    HB2  LEU  52           HB2      LEU  52   5.040   1.415   2.825
  376    HB3  LEU  52           HB3      LEU  52   6.071   0.060   3.264
  377    HG   LEU  52           HG       LEU  52   3.146   0.299   3.906
  378   HD11  LEU  52          HD11      LEU  52   2.913  -1.570   2.369
  379   HD12  LEU  52          HD12      LEU  52   4.645  -1.526   2.060
  380   HD13  LEU  52          HD13      LEU  52   3.629  -0.171   1.554
  381   HD21  LEU  52          HD21      LEU  52   5.105  -1.924   4.496
  382   HD22  LEU  52          HD22      LEU  52   3.361  -1.990   4.763
  383   HD23  LEU  52          HD23      LEU  52   4.354  -0.863   5.687
  384    H    GLU  53           H        GLU  53   5.639   3.902   4.435
  385    HA   GLU  53           HA       GLU  53   8.329   4.415   3.831
  386    HB2  GLU  53           HB2      GLU  53   6.441   6.219   5.328
  387    HB3  GLU  53           HB3      GLU  53   7.979   6.717   4.670
  388    HG2  GLU  53           HG2      GLU  53   7.083   6.246   2.411
  389    HG3  GLU  53           HG3      GLU  53   5.513   5.912   3.163
  390    H    SER  54           H        SER  54   6.622   4.739   6.870
  391    HA   SER  54           HA       SER  54   8.792   5.434   8.471
  392    HB2  SER  54           HB2      SER  54   6.363   5.704   9.011
  393    HB3  SER  54           HB3      SER  54   6.273   3.967   9.284
  394    HG   SER  54           HG       SER  54   7.207   5.969  10.825
  395    H    ARG  55           H        ARG  55   7.225   2.308   7.961
  396    HA   ARG  55           HA       ARG  55   8.849   0.870   9.740
  397    HB2  ARG  55           HB2      ARG  55   6.549   0.276   9.020
  398    HB3  ARG  55           HB3      ARG  55   7.198  -0.202   7.466
  399    HG2  ARG  55           HG2      ARG  55   8.381  -2.026   8.437
  400    HG3  ARG  55           HG3      ARG  55   8.039  -1.452  10.073
  401    HD2  ARG  55           HD2      ARG  55   6.003  -2.414   8.059
  402    HD3  ARG  55           HD3      ARG  55   6.552  -3.299   9.484
  403    HE   ARG  55           HE       ARG  55   5.666  -0.883  10.425
  404   HH11  ARG  55          HH11      ARG  55   4.158  -3.644   8.729
  405   HH12  ARG  55          HH12      ARG  55   2.587  -3.258   9.295
  406   HH21  ARG  55          HH21      ARG  55   3.439  -0.440  11.193
  407   HH22  ARG  55          HH22      ARG  55   2.193  -1.483  10.686
  408    H    TYR  56           H        TYR  56   9.295   1.576   6.308
  409    HA   TYR  56           HA       TYR  56  11.614  -0.218   6.410
  410    HB2  TYR  56           HB2      TYR  56   9.862   0.382   4.039
  411    HB3  TYR  56           HB3      TYR  56  11.384  -0.504   3.953
  412    HD1  TYR  56           HD2      TYR  56  11.632  -2.623   5.212
  413    HD2  TYR  56           HD1      TYR  56   7.868  -0.710   4.755
  414    HE1  TYR  56           HE2      TYR  56  10.516  -4.699   5.852
  415    HE2  TYR  56           HE1      TYR  56   6.723  -2.783   5.392
  416    HH   TYR  56           HH       TYR  56   7.128  -5.190   5.528
  417    H    GLY  57           H        GLY  57  10.810   3.045   6.024
  418    HA2  GLY  57           HA2      GLY  57  12.335   4.770   5.961
  419    HA3  GLY  57           HA3      GLY  57  13.597   3.624   5.530
  420    H    VAL  58           H        VAL  58  10.561   4.850   4.120
  421    HA   VAL  58           HA       VAL  58  12.051   5.402   1.679
  422    HB   VAL  58           HB       VAL  58  10.326   4.574   0.175
  423   HG11  VAL  58          HG11      VAL  58  10.486   2.179   0.506
  424   HG12  VAL  58          HG12      VAL  58  11.048   2.457   2.154
  425   HG13  VAL  58          HG13      VAL  58  12.032   2.991   0.785
  426   HG21  VAL  58          HG21      VAL  58   8.825   3.630   2.618
  427   HG22  VAL  58          HG22      VAL  58   8.393   3.270   0.946
  428   HG23  VAL  58          HG23      VAL  58   8.343   4.932   1.532
  429    H    SER  59           H        SER  59  10.462   6.682   0.092
  430    HA   SER  59           HA       SER  59   8.931   8.553   1.726
  431    HB2  SER  59           HB2      SER  59  10.881   9.284  -0.481
  432    HB3  SER  59           HB3      SER  59   9.903  10.410   0.459
  433    HG   SER  59           HG       SER  59  11.073   9.920   2.279
  434    H    ILE  60           H        ILE  60   6.934   8.186   1.037
  435    HA   ILE  60           HA       ILE  60   6.402   7.956  -1.854
  436    HB   ILE  60           HB       ILE  60   4.597   7.107   0.449
  437   HG12  ILE  60          HG12      ILE  60   6.502   5.577   0.257
  438   HG13  ILE  60          HG13      ILE  60   5.020   4.783  -0.265
  439   HG21  ILE  60          HG21      ILE  60   4.242   6.738  -2.525
  440   HG22  ILE  60          HG22      ILE  60   3.320   7.826  -1.489
  441   HG23  ILE  60          HG23      ILE  60   3.183   6.078  -1.277
  442   HD11  ILE  60          HD11      ILE  60   5.675   5.125  -2.605
  443   HD12  ILE  60          HD12      ILE  60   6.895   4.213  -1.714
  444   HD13  ILE  60          HD13      ILE  60   7.156   5.920  -2.067
  445    HA   PRO  61           HA       PRO  61   5.000  12.153  -0.999
  446    HB2  PRO  61           HB2      PRO  61   4.521  12.154  -3.908
  447    HB3  PRO  61           HB3      PRO  61   5.538  13.221  -2.935
  448    HG2  PRO  61           HG2      PRO  61   6.614  11.400  -4.554
  449    HG3  PRO  61           HG3      PRO  61   7.335  11.769  -2.977
  450    HD2  PRO  61           HD2      PRO  61   5.588   9.465  -3.765
  451    HD3  PRO  61           HD3      PRO  61   7.071   9.470  -2.782
  452    H    ASP  62           H        ASP  62   3.082  13.141  -0.862
  453    HA   ASP  62           HA       ASP  62   0.683  11.760  -0.641
  454    HB2  ASP  62           HB2      ASP  62   1.219  14.705  -0.975
  455    HB3  ASP  62           HB3      ASP  62  -0.419  14.091  -0.856
  456    H    ASP  63           H        ASP  63   1.919  13.563  -3.383
  457    HA   ASP  63           HA       ASP  63  -0.547  13.511  -4.827
  458    HB2  ASP  63           HB2      ASP  63   2.261  14.041  -5.807
  459    HB3  ASP  63           HB3      ASP  63   0.822  14.195  -6.804
  460    H    VAL  64           H        VAL  64   2.142  11.425  -4.583
  461    HA   VAL  64           HA       VAL  64   1.521   9.806  -6.899
  462    HB   VAL  64           HB       VAL  64   3.215   9.203  -4.475
  463   HG11  VAL  64          HG11      VAL  64   2.618   7.210  -5.773
  464   HG12  VAL  64          HG12      VAL  64   4.333   7.570  -5.973
  465   HG13  VAL  64          HG13      VAL  64   3.188   7.985  -7.251
  466   HG21  VAL  64          HG21      VAL  64   4.018  10.381  -7.138
  467   HG22  VAL  64          HG22      VAL  64   5.137   9.884  -5.867
  468   HG23  VAL  64          HG23      VAL  64   4.012  11.212  -5.582
  469    H    ALA  65           H        ALA  65   1.145   9.530  -3.413
  470    HA   ALA  65           HA       ALA  65  -0.102   7.041  -3.316
  471    HB1  ALA  65           HB1      ALA  65  -0.885   7.690  -1.103
  472    HB2  ALA  65           HB2      ALA  65  -0.525   9.380  -1.457
  473    HB3  ALA  65           HB3      ALA  65   0.785   8.205  -1.347
  474    H    GLY  66           H        GLY  66  -1.477  10.223  -3.975
  475    HA2  GLY  66           HA2      GLY  66  -4.176   9.096  -4.018
  476    HA3  GLY  66           HA3      GLY  66  -3.754  10.794  -4.200
  477    H    ARG  67           H        ARG  67  -1.743   9.009  -6.107
  478    HA   ARG  67           HA       ARG  67  -3.330   9.628  -8.500
  479    HB2  ARG  67           HB2      ARG  67  -1.234  10.763  -8.451
  480    HB3  ARG  67           HB3      ARG  67  -0.378   9.293  -8.032
  481    HG2  ARG  67           HG2      ARG  67  -0.894   8.387 -10.249
  482    HG3  ARG  67           HG3      ARG  67  -1.696   9.907 -10.659
  483    HD2  ARG  67           HD2      ARG  67   0.317  11.122 -10.507
  484    HD3  ARG  67           HD3      ARG  67   1.154   9.778  -9.727
  485    HE   ARG  67           HE       ARG  67   0.436   8.687 -12.018
  486   HH11  ARG  67          HH11      ARG  67   1.948  11.833 -11.436
  487   HH12  ARG  67          HH12      ARG  67   2.969  11.776 -12.791
  488   HH21  ARG  67          HH21      ARG  67   1.742   8.647 -13.958
  489   HH22  ARG  67          HH22      ARG  67   2.776   9.946 -14.333
  490    H    VAL  68           H        VAL  68  -1.907   7.038  -6.734
  491    HA   VAL  68           HA       VAL  68  -1.731   5.267  -8.956
  492    HB   VAL  68           HB       VAL  68  -1.195   3.495  -7.187
  493   HG11  VAL  68          HG11      VAL  68   1.036   4.435  -6.770
  494   HG12  VAL  68          HG12      VAL  68   0.454   6.024  -7.272
  495   HG13  VAL  68          HG13      VAL  68   0.522   4.700  -8.435
  496   HG21  VAL  68          HG21      VAL  68  -0.590   4.314  -4.971
  497   HG22  VAL  68          HG22      VAL  68  -2.315   4.605  -5.270
  498   HG23  VAL  68          HG23      VAL  68  -1.143   5.927  -5.409
  499    H    ASP  69           H        ASP  69  -2.947   3.694  -9.603
  500    HA   ASP  69           HA       ASP  69  -5.766   3.963  -9.021
  501    HB2  ASP  69           HB2      ASP  69  -4.361   2.251 -11.082
  502    HB3  ASP  69           HB3      ASP  69  -6.073   2.645 -11.035
  503    H    THR  70           H        THR  70  -3.486   1.218  -9.376
  504    HA   THR  70           HA       THR  70  -5.252  -0.213  -7.557
  505    HB   THR  70           HB       THR  70  -4.503  -2.325  -8.648
  506    HG1  THR  70           HG1      THR  70  -2.900  -0.558 -10.126
  507   HG21  THR  70          HG21      THR  70  -5.742  -0.319 -10.531
  508   HG22  THR  70          HG22      THR  70  -6.599  -1.300  -9.342
  509   HG23  THR  70          HG23      THR  70  -5.806  -2.073 -10.716
  510    HA   PRO  71           HA       PRO  71  -2.172  -0.774  -4.479
  511    HB2  PRO  71           HB2      PRO  71  -2.557  -3.713  -4.786
  512    HB3  PRO  71           HB3      PRO  71  -2.595  -2.716  -3.328
  513    HG2  PRO  71           HG2      PRO  71  -4.853  -3.577  -4.399
  514    HG3  PRO  71           HG3      PRO  71  -4.730  -1.927  -3.757
  515    HD2  PRO  71           HD2      PRO  71  -4.716  -2.867  -6.585
  516    HD3  PRO  71           HD3      PRO  71  -5.436  -1.407  -5.879
  517    H    ARG  72           H        ARG  72  -1.895  -2.775  -7.341
  518    HA   ARG  72           HA       ARG  72   0.678  -3.761  -7.028
  519    HB2  ARG  72           HB2      ARG  72  -0.871  -4.441  -8.823
  520    HB3  ARG  72           HB3      ARG  72  -0.622  -2.889  -9.608
  521    HG2  ARG  72           HG2      ARG  72   1.700  -3.410  -9.999
  522    HG3  ARG  72           HG3      ARG  72   1.543  -4.917  -9.090
  523    HD2  ARG  72           HD2      ARG  72   0.075  -4.218 -11.622
  524    HD3  ARG  72           HD3      ARG  72   1.460  -5.296 -11.501
  525    HE   ARG  72           HE       ARG  72   0.112  -6.753 -10.106
  526   HH11  ARG  72          HH11      ARG  72  -1.593  -4.450 -12.205
  527   HH12  ARG  72          HH12      ARG  72  -3.022  -5.297 -12.315
  528   HH21  ARG  72          HH21      ARG  72  -1.952  -7.996 -10.150
  529   HH22  ARG  72          HH22      ARG  72  -3.224  -7.430 -11.084
  530    H    GLU  73           H        GLU  73  -0.367  -0.637  -8.371
  531    HA   GLU  73           HA       GLU  73   2.192   0.300  -9.067
  532    HB2  GLU  73           HB2      GLU  73  -0.347   1.775  -8.391
  533    HB3  GLU  73           HB3      GLU  73   1.137   2.627  -8.751
  534    HG2  GLU  73           HG2      GLU  73  -0.278   2.564 -10.691
  535    HG3  GLU  73           HG3      GLU  73   1.162   1.592 -10.975
  536    H    LEU  74           H        LEU  74   0.390   0.430  -6.102
  537    HA   LEU  74           HA       LEU  74   2.090   2.277  -4.750
  538    HB2  LEU  74           HB2      LEU  74  -0.347   1.666  -4.225
  539    HB3  LEU  74           HB3      LEU  74   0.264   0.207  -3.496
  540    HG   LEU  74           HG       LEU  74  -0.373   1.930  -1.850
  541   HD11  LEU  74          HD11      LEU  74   1.614   1.910  -0.448
  542   HD12  LEU  74          HD12      LEU  74   2.574   1.347  -1.819
  543   HD13  LEU  74          HD13      LEU  74   1.288   0.332  -1.164
  544   HD21  LEU  74          HD21      LEU  74   1.857   3.550  -3.056
  545   HD22  LEU  74          HD22      LEU  74   0.978   3.954  -1.580
  546   HD23  LEU  74          HD23      LEU  74   0.133   3.915  -3.127
  547    H    LEU  75           H        LEU  75   1.761  -1.249  -4.708
  548    HA   LEU  75           HA       LEU  75   3.843  -1.873  -2.944
  549    HB2  LEU  75           HB2      LEU  75   2.120  -3.461  -3.758
  550    HB3  LEU  75           HB3      LEU  75   2.886  -3.452  -5.332
  551    HG   LEU  75           HG       LEU  75   4.908  -4.449  -4.336
  552   HD11  LEU  75          HD11      LEU  75   4.810  -5.345  -2.063
  553   HD12  LEU  75          HD12      LEU  75   3.235  -4.588  -1.833
  554   HD13  LEU  75          HD13      LEU  75   4.667  -3.586  -2.075
  555   HD21  LEU  75          HD21      LEU  75   3.204  -5.872  -5.344
  556   HD22  LEU  75          HD22      LEU  75   2.350  -5.958  -3.804
  557   HD23  LEU  75          HD23      LEU  75   3.952  -6.674  -3.964
  558    H    ASP  76           H        ASP  76   3.794  -1.488  -6.429
  559    HA   ASP  76           HA       ASP  76   6.435  -2.091  -7.067
  560    HB2  ASP  76           HB2      ASP  76   4.640  -1.913  -8.706
  561    HB3  ASP  76           HB3      ASP  76   4.497  -0.193  -8.390
  562    H    LEU  77           H        LEU  77   4.964   0.957  -6.089
  563    HA   LEU  77           HA       LEU  77   7.162   2.697  -6.373
  564    HB2  LEU  77           HB2      LEU  77   4.972   2.717  -4.296
  565    HB3  LEU  77           HB3      LEU  77   6.029   4.065  -4.609
  566    HG   LEU  77           HG       LEU  77   4.053   2.931  -6.566
  567   HD11  LEU  77          HD11      LEU  77   2.966   3.931  -4.645
  568   HD12  LEU  77          HD12      LEU  77   2.765   4.944  -6.075
  569   HD13  LEU  77          HD13      LEU  77   3.939   5.388  -4.833
  570   HD21  LEU  77          HD21      LEU  77   5.966   4.008  -7.645
  571   HD22  LEU  77          HD22      LEU  77   5.723   5.446  -6.650
  572   HD23  LEU  77          HD23      LEU  77   4.504   4.976  -7.832
  573    H    ILE  78           H        ILE  78   6.006   0.868  -3.589
  574    HA   ILE  78           HA       ILE  78   8.012   1.523  -1.746
  575    HB   ILE  78           HB       ILE  78   6.482  -1.096  -1.949
  576   HG12  ILE  78          HG12      ILE  78   4.951   0.832  -1.849
  577   HG13  ILE  78          HG13      ILE  78   4.880  -0.114  -0.370
  578   HG21  ILE  78          HG21      ILE  78   8.382  -1.286  -0.463
  579   HG22  ILE  78          HG22      ILE  78   6.885  -1.276   0.475
  580   HG23  ILE  78          HG23      ILE  78   7.887   0.170   0.397
  581   HD11  ILE  78          HD11      ILE  78   4.810   2.270   0.091
  582   HD12  ILE  78          HD12      ILE  78   6.351   2.492  -0.738
  583   HD13  ILE  78          HD13      ILE  78   6.278   1.551   0.752
  584    H    ASN  79           H        ASN  79   7.738  -1.263  -3.928
  585    HA   ASN  79           HA       ASN  79  10.159  -2.532  -3.298
  586    HB2  ASN  79           HB2      ASN  79   8.481  -2.561  -5.781
  587    HB3  ASN  79           HB3      ASN  79  10.049  -3.337  -5.783
  588   HD21  ASN  79          HD21      ASN  79   7.813  -3.307  -3.027
  589   HD22  ASN  79          HD22      ASN  79   7.479  -5.008  -3.106
  590    H    GLY  80           H        GLY  80   9.504  -0.109  -5.806
  591    HA2  GLY  80           HA2      GLY  80  12.104  -0.080  -6.896
  592    HA3  GLY  80           HA3      GLY  80  10.907   1.195  -7.056
  593    H    ALA  81           H        ALA  81  10.639   1.765  -4.297
  594    HA   ALA  81           HA       ALA  81  12.786   3.573  -3.943
  595    HB1  ALA  81           HB1      ALA  81  10.684   2.666  -1.981
  596    HB2  ALA  81           HB2      ALA  81  10.522   4.006  -3.116
  597    HB3  ALA  81           HB3      ALA  81  11.710   4.090  -1.812
  598    H    LEU  82           H        LEU  82  11.892   0.554  -2.357
  599    HA   LEU  82           HA       LEU  82  14.074   0.531  -0.558
  600    HB2  LEU  82           HB2      LEU  82  12.219  -1.645  -1.491
  601    HB3  LEU  82           HB3      LEU  82  13.473  -1.922  -0.297
  602    HG   LEU  82           HG       LEU  82  11.290   0.136   0.037
  603   HD11  LEU  82          HD11      LEU  82  10.249  -1.434   1.577
  604   HD12  LEU  82          HD12      LEU  82  11.483  -2.638   1.200
  605   HD13  LEU  82          HD13      LEU  82  10.345  -2.132  -0.040
  606   HD21  LEU  82          HD21      LEU  82  12.016   0.129   2.351
  607   HD22  LEU  82          HD22      LEU  82  13.347   0.559   1.276
  608   HD23  LEU  82          HD23      LEU  82  13.263  -1.060   1.973
  609    H    ALA  83           H        ALA  83  13.694  -0.636  -3.808
  610    HA   ALA  83           HA       ALA  83  16.059  -2.169  -3.959
  611    HB1  ALA  83           HB1      ALA  83  14.672  -0.626  -6.153
  612    HB2  ALA  83           HB2      ALA  83  14.292  -2.277  -5.663
  613    HB3  ALA  83           HB3      ALA  83  15.862  -1.907  -6.380
  614    H    GLU  84           H        GLU  84  15.443   1.218  -3.955
  615    HA   GLU  84           HA       GLU  84  18.028   1.897  -5.051
  616    HB2  GLU  84           HB2      GLU  84  15.861   3.064  -5.656
  617    HB3  GLU  84           HB3      GLU  84  15.857   3.737  -4.034
  618    HG2  GLU  84           HG2      GLU  84  16.705   5.297  -5.730
  619    HG3  GLU  84           HG3      GLU  84  17.898   4.927  -4.482
  620    H    ALA  85           H        ALA  85  17.199   0.774  -2.183
  621    HA   ALA  85           HA       ALA  85  18.503   2.706  -0.452
  622    HB1  ALA  85           HB1      ALA  85  17.569  -0.107   0.146
  623    HB2  ALA  85           HB2      ALA  85  16.627   1.363   0.400
  624    HB3  ALA  85           HB3      ALA  85  18.097   1.081   1.336
  625    H    ALA  86           H        ALA  86  19.776   1.068  -2.705
  626    HA   ALA  86           HA       ALA  86  22.101   0.123  -1.216
  627    HB1  ALA  86           HB1      ALA  86  22.562  -1.318  -3.141
  628    HB2  ALA  86           HB2      ALA  86  21.096  -0.736  -3.927
  629    HB3  ALA  86           HB3      ALA  86  20.984  -1.675  -2.438
  630    H28  SXA  87          H28A      SXA  87  -8.436  13.181   0.731
  631   H28A  SXA  87          H28B      SXA  87  -7.323  11.820   0.606
  632    H30  SXA  87          H30A      SXA  87  -5.643  11.762  -1.198
  633   H30A  SXA  87          H30B      SXA  87  -5.437  13.142  -2.275
  634   H30B  SXA  87          H30C      SXA  87  -6.882  12.139  -2.396
  635    H31  SXA  87          H31A      SXA  87  -6.900  15.208  -1.958
  636   H31A  SXA  87          H31B      SXA  87  -8.138  15.192  -0.703
  637   H31B  SXA  87          H31C      SXA  87  -8.316  14.169  -2.128
  638    H32  SXA  87          H32A      SXA  87  -5.292  13.274   0.822
  639   HO33  SXA  87          H33A      SXA  87  -6.321  15.695   1.154
  640   HN36  SXA  87          H36A      SXA  87  -4.030  13.691  -1.375
  641    H37  SXA  87          H37A      SXA  87  -3.424  16.381  -2.182
  642   H37A  SXA  87          H37B      SXA  87  -2.253  15.748  -1.050
  643    H38  SXA  87          H38A      SXA  87  -1.367  15.332  -3.149
  644   H38A  SXA  87          H38B      SXA  87  -1.929  13.755  -2.551
  645   HN41  SXA  87          H41A      SXA  87  -4.094  16.187  -3.734
  646    H42  SXA  87          H42A      SXA  87  -4.190  15.561  -6.471
  647   H42A  SXA  87          H42B      SXA  87  -5.446  14.690  -5.586
  648    H43  SXA  87          H43A      SXA  87  -6.328  16.810  -6.365
  649   H43A  SXA  87          H43B      SXA  87  -5.005  17.662  -5.546
  650    H2   SXA  87           H2C      SXA  87  -9.004  18.070  -3.091
  651    H2A  SXA  87           H2A      SXA  87  -8.511  19.762  -3.227
  652    H2B  SXA  87           H2B      SXA  87  -7.654  18.675  -2.123
  Start of MODEL    9
    1    H1   MET   1           H1       MET   1  18.060  -6.192  -3.830
    2    H2   MET   1           H2       MET   1  19.528  -6.504  -3.128
    3    H3   MET   1           H3       MET   1  19.484  -6.133  -4.767
    4    HA   MET   1           HA       MET   1  20.252  -4.232  -3.523
    5    HB2  MET   1           HB2      MET   1  17.330  -3.857  -4.258
    6    HB3  MET   1           HB3      MET   1  18.415  -2.544  -3.849
    7    HG2  MET   1           HG2      MET   1  18.206  -2.589  -6.200
    8    HG3  MET   1           HG3      MET   1  19.810  -3.199  -5.814
    9    HE1  MET   1           HE1      MET   1  16.197  -4.084  -7.079
   10    HE2  MET   1           HE2      MET   1  16.312  -5.062  -5.616
   11    HE3  MET   1           HE3      MET   1  16.269  -5.843  -7.195
   12    H    ALA   2           H        ALA   2  17.012  -5.182  -2.307
   13    HA   ALA   2           HA       ALA   2  17.890  -4.805   0.405
   14    HB1  ALA   2           HB1      ALA   2  15.692  -3.080  -0.763
   15    HB2  ALA   2           HB2      ALA   2  17.265  -2.509  -0.206
   16    HB3  ALA   2           HB3      ALA   2  16.114  -3.186   0.947
   17    H    THR   3           H        THR   3  15.656  -5.097   1.780
   18    HA   THR   3           HA       THR   3  14.580  -7.604   0.871
   19    HB   THR   3           HB       THR   3  13.842  -5.868   3.250
   20    HG1  THR   3           HG1      THR   3  16.105  -7.198   2.670
   21   HG21  THR   3          HG21      THR   3  12.211  -7.650   2.739
   22   HG22  THR   3          HG22      THR   3  13.079  -8.000   4.234
   23   HG23  THR   3          HG23      THR   3  13.509  -8.842   2.743
   24    H    LEU   4           H        LEU   4  13.097  -7.482  -0.734
   25    HA   LEU   4           HA       LEU   4  11.432  -5.119  -1.006
   26    HB2  LEU   4           HB2      LEU   4  11.605  -7.575  -2.743
   27    HB3  LEU   4           HB3      LEU   4  10.791  -6.073  -3.136
   28    HG   LEU   4           HG       LEU   4  13.763  -6.494  -2.856
   29   HD11  LEU   4          HD11      LEU   4  12.052  -5.821  -5.224
   30   HD12  LEU   4          HD12      LEU   4  12.838  -7.367  -4.901
   31   HD13  LEU   4          HD13      LEU   4  13.811  -5.930  -5.220
   32   HD21  LEU   4          HD21      LEU   4  14.008  -4.154  -3.540
   33   HD22  LEU   4          HD22      LEU   4  13.149  -4.284  -2.004
   34   HD23  LEU   4          HD23      LEU   4  12.255  -3.953  -3.487
   35    H    LEU   5           H        LEU   5   9.117  -5.541  -1.622
   36    HA   LEU   5           HA       LEU   5   8.030  -7.099   0.590
   37    HB2  LEU   5           HB2      LEU   5   6.688  -5.060  -1.138
   38    HB3  LEU   5           HB3      LEU   5   6.044  -5.790   0.322
   39    HG   LEU   5           HG       LEU   5   8.290  -3.823   0.075
   40   HD11  LEU   5          HD11      LEU   5   6.876  -2.495   1.546
   41   HD12  LEU   5          HD12      LEU   5   5.658  -3.768   1.521
   42   HD13  LEU   5          HD13      LEU   5   6.055  -2.901   0.039
   43   HD21  LEU   5          HD21      LEU   5   8.944  -5.531   1.657
   44   HD22  LEU   5          HD22      LEU   5   7.400  -5.362   2.498
   45   HD23  LEU   5          HD23      LEU   5   8.553  -4.029   2.489
   46    H    THR   6           H        THR   6   6.235  -8.375   0.339
   47    HA   THR   6           HA       THR   6   5.787  -9.365  -2.375
   48    HB   THR   6           HB       THR   6   4.747 -11.339  -1.202
   49    HG1  THR   6           HG1      THR   6   5.734  -9.941   1.095
   50   HG21  THR   6          HG21      THR   6   6.890 -12.369  -0.554
   51   HG22  THR   6          HG22      THR   6   7.645 -10.775  -0.551
   52   HG23  THR   6          HG23      THR   6   7.036 -11.461  -2.058
   53    H    THR   7           H        THR   7   3.423 -10.387  -2.392
   54    HA   THR   7           HA       THR   7   1.433  -8.444  -2.336
   55    HB   THR   7           HB       THR   7   1.284 -11.461  -2.064
   56    HG1  THR   7           HG1      THR   7   0.711 -11.004  -4.443
   57   HG21  THR   7          HG21      THR   7  -0.826  -9.493  -2.984
   58   HG22  THR   7          HG22      THR   7  -0.864 -10.406  -1.478
   59   HG23  THR   7          HG23      THR   7  -0.978 -11.247  -3.020
   60    H    ASP   8           H        ASP   8   2.371 -10.890   0.050
   61    HA   ASP   8           HA       ASP   8   0.324 -10.508   1.917
   62    HB2  ASP   8           HB2      ASP   8   1.926 -12.429   1.860
   63    HB3  ASP   8           HB3      ASP   8   3.148 -11.359   2.542
   64    H    ASP   9           H        ASP   9   3.469  -8.944   1.666
   65    HA   ASP   9           HA       ASP   9   3.428  -7.461   4.090
   66    HB2  ASP   9           HB2      ASP   9   4.742  -6.829   1.445
   67    HB3  ASP   9           HB3      ASP   9   5.055  -5.869   2.864
   68    H    LEU  10           H        LEU  10   2.527  -6.664   0.818
   69    HA   LEU  10           HA       LEU  10   1.610  -4.052   1.191
   70    HB2  LEU  10           HB2      LEU  10   2.145  -5.046  -0.969
   71    HB3  LEU  10           HB3      LEU  10   0.812  -6.166  -0.801
   72    HG   LEU  10           HG       LEU  10  -0.757  -4.251  -0.911
   73   HD11  LEU  10          HD11      LEU  10   0.730  -2.492  -0.114
   74   HD12  LEU  10          HD12      LEU  10   0.061  -2.091  -1.694
   75   HD13  LEU  10          HD13      LEU  10   1.724  -2.664  -1.560
   76   HD21  LEU  10          HD21      LEU  10  -0.231  -5.576  -2.872
   77   HD22  LEU  10          HD22      LEU  10   1.163  -4.546  -3.209
   78   HD23  LEU  10          HD23      LEU  10  -0.467  -3.884  -3.311
   79    H    ARG  11           H        ARG  11  -0.151  -7.120   1.034
   80    HA   ARG  11           HA       ARG  11  -2.745  -6.284   1.421
   81    HB2  ARG  11           HB2      ARG  11  -2.187  -8.578   0.829
   82    HB3  ARG  11           HB3      ARG  11  -1.431  -8.819   2.399
   83    HG2  ARG  11           HG2      ARG  11  -3.563  -8.649   3.504
   84    HG3  ARG  11           HG3      ARG  11  -4.354  -8.221   1.988
   85    HD2  ARG  11           HD2      ARG  11  -4.753 -10.559   2.560
   86    HD3  ARG  11           HD3      ARG  11  -3.824 -10.414   1.076
   87    HE   ARG  11           HE       ARG  11  -1.838 -10.868   2.594
   88   HH11  ARG  11          HH11      ARG  11  -5.060 -12.225   3.144
   89   HH12  ARG  11          HH12      ARG  11  -4.495 -13.632   3.914
   90   HH21  ARG  11          HH21      ARG  11  -1.045 -12.823   3.689
   91   HH22  ARG  11          HH22      ARG  11  -2.172 -13.979   4.203
   92    H    ARG  12           H        ARG  12  -0.503  -7.361   3.948
   93    HA   ARG  12           HA       ARG  12  -2.207  -6.897   6.104
   94    HB2  ARG  12           HB2      ARG  12   0.794  -6.926   5.972
   95    HB3  ARG  12           HB3      ARG  12  -0.111  -6.847   7.484
   96    HG2  ARG  12           HG2      ARG  12  -1.154  -8.997   6.945
   97    HG3  ARG  12           HG3      ARG  12  -0.225  -9.060   5.446
   98    HD2  ARG  12           HD2      ARG  12   0.828 -10.396   7.178
   99    HD3  ARG  12           HD3      ARG  12   1.847  -9.028   6.735
  100    HE   ARG  12           HE       ARG  12   0.125  -8.506   8.966
  101   HH11  ARG  12          HH11      ARG  12   3.303  -9.737   7.994
  102   HH12  ARG  12          HH12      ARG  12   3.985  -9.562   9.543
  103   HH21  ARG  12          HH21      ARG  12   1.070  -8.321  11.114
  104   HH22  ARG  12          HH22      ARG  12   2.676  -8.796  11.366
  105    H    ALA  13           H        ALA  13   0.211  -4.750   4.653
  106    HA   ALA  13           HA       ALA  13  -0.033  -2.651   6.488
  107    HB1  ALA  13           HB1      ALA  13   1.820  -2.843   4.905
  108    HB2  ALA  13           HB2      ALA  13   1.032  -1.271   4.790
  109    HB3  ALA  13           HB3      ALA  13   0.713  -2.508   3.573
  110    H    LEU  14           H        LEU  14  -1.756  -3.358   3.511
  111    HA   LEU  14           HA       LEU  14  -3.284  -1.000   3.373
  112    HB2  LEU  14           HB2      LEU  14  -3.759  -3.771   2.298
  113    HB3  LEU  14           HB3      LEU  14  -4.845  -2.437   1.981
  114    HG   LEU  14           HG       LEU  14  -1.936  -2.469   1.168
  115   HD11  LEU  14          HD11      LEU  14  -2.784  -2.887  -1.084
  116   HD12  LEU  14          HD12      LEU  14  -4.426  -3.009  -0.450
  117   HD13  LEU  14          HD13      LEU  14  -3.212  -4.207   0.003
  118   HD21  LEU  14          HD21      LEU  14  -2.938  -0.242   1.484
  119   HD22  LEU  14          HD22      LEU  14  -4.238  -0.692   0.391
  120   HD23  LEU  14          HD23      LEU  14  -2.583  -0.576  -0.213
  121    H    VAL  15           H        VAL  15  -3.961  -4.166   4.780
  122    HA   VAL  15           HA       VAL  15  -6.589  -3.633   5.633
  123    HB   VAL  15           HB       VAL  15  -4.545  -5.554   6.829
  124   HG11  VAL  15          HG11      VAL  15  -7.546  -5.474   7.204
  125   HG12  VAL  15          HG12      VAL  15  -6.343  -5.082   8.431
  126   HG13  VAL  15          HG13      VAL  15  -6.466  -6.729   7.810
  127   HG21  VAL  15          HG21      VAL  15  -5.060  -6.016   4.490
  128   HG22  VAL  15          HG22      VAL  15  -6.786  -6.017   4.858
  129   HG23  VAL  15          HG23      VAL  15  -5.739  -7.264   5.536
  130    H    GLU  16           H        GLU  16  -3.581  -3.608   7.522
  131    HA   GLU  16           HA       GLU  16  -4.558  -2.716   9.940
  132    HB2  GLU  16           HB2      GLU  16  -1.890  -2.255   8.647
  133    HB3  GLU  16           HB3      GLU  16  -2.242  -1.803  10.303
  134    HG2  GLU  16           HG2      GLU  16  -2.666  -4.111  10.877
  135    HG3  GLU  16           HG3      GLU  16  -2.435  -4.589   9.193
  136    H    SER  17           H        SER  17  -3.473  -0.712   7.217
  137    HA   SER  17           HA       SER  17  -3.777   1.707   8.721
  138    HB2  SER  17           HB2      SER  17  -3.346   1.371   5.766
  139    HB3  SER  17           HB3      SER  17  -3.023   2.810   6.736
  140    HG   SER  17           HG       SER  17  -1.666   0.414   6.530
  141    H    ALA  18           H        ALA  18  -5.930  -0.207   6.810
  142    HA   ALA  18           HA       ALA  18  -7.618   1.935   5.937
  143    HB1  ALA  18           HB1      ALA  18  -7.577  -0.224   4.766
  144    HB2  ALA  18           HB2      ALA  18  -9.204   0.178   5.316
  145    HB3  ALA  18           HB3      ALA  18  -8.245  -1.010   6.196
  146    H    GLY  19           H        GLY  19  -7.395  -0.062   8.720
  147    HA2  GLY  19           HA2      GLY  19  -8.431   1.424  10.626
  148    HA3  GLY  19           HA3      GLY  19  -9.909   0.930   9.800
  149    H    GLU  20           H        GLU  20  -6.867  -0.588  10.803
  150    HA   GLU  20           HA       GLU  20  -6.367  -2.430  11.970
  151    HB2  GLU  20           HB2      GLU  20  -9.228  -2.234  12.952
  152    HB3  GLU  20           HB3      GLU  20  -8.017  -3.317  13.619
  153    HG2  GLU  20           HG2      GLU  20  -6.708  -1.475  14.402
  154    HG3  GLU  20           HG3      GLU  20  -7.750  -0.323  13.567
  155    H    THR  21           H        THR  21  -7.681  -4.795  12.483
  156    HA   THR  21           HA       THR  21  -7.680  -5.992   9.948
  157    HB   THR  21           HB       THR  21  -8.554  -7.893  11.693
  158    HG1  THR  21           HG1      THR  21  -8.605  -6.437  13.438
  159   HG21  THR  21          HG21      THR  21  -6.531  -8.008  10.284
  160   HG22  THR  21          HG22      THR  21  -6.168  -8.481  11.942
  161   HG23  THR  21          HG23      THR  21  -5.712  -6.878  11.362
  162    H    ASP  22           H        ASP  22  -9.380  -4.805   9.035
  163    HA   ASP  22           HA       ASP  22 -12.121  -5.114   9.762
  164    HB2  ASP  22           HB2      ASP  22 -11.507  -3.255   8.354
  165    HB3  ASP  22           HB3      ASP  22 -10.888  -4.339   7.112
  166    H    GLY  23           H        GLY  23 -10.028  -6.880   7.601
  167    HA2  GLY  23           HA2      GLY  23 -10.266  -9.079   6.884
  168    HA3  GLY  23           HA3      GLY  23 -11.873  -9.110   7.605
  169    H    THR  24           H        THR  24 -10.049  -7.786   4.860
  170    HA   THR  24           HA       THR  24 -12.518  -7.400   3.430
  171    HB   THR  24           HB       THR  24 -10.839  -6.440   1.714
  172    HG1  THR  24           HG1      THR  24  -8.905  -5.697   2.971
  173   HG21  THR  24          HG21      THR  24 -11.109  -5.124   4.428
  174   HG22  THR  24          HG22      THR  24 -12.283  -5.020   3.114
  175   HG23  THR  24          HG23      THR  24 -10.679  -4.306   2.925
  176    H    ASP  25           H        ASP  25 -12.080  -7.875   0.926
  177    HA   ASP  25           HA       ASP  25 -11.404 -10.731   0.690
  178    HB2  ASP  25           HB2      ASP  25 -12.666 -10.767  -1.393
  179    HB3  ASP  25           HB3      ASP  25 -13.646  -9.970  -0.188
  180    H    LEU  26           H        LEU  26  -9.533  -8.734   1.017
  181    HA   LEU  26           HA       LEU  26  -8.200  -8.003  -1.433
  182    HB2  LEU  26           HB2      LEU  26  -8.468  -6.666   0.719
  183    HB3  LEU  26           HB3      LEU  26  -7.292  -7.748   1.423
  184    HG   LEU  26           HG       LEU  26  -5.704  -6.978  -0.404
  185   HD11  LEU  26          HD11      LEU  26  -7.808  -4.846  -0.674
  186   HD12  LEU  26          HD12      LEU  26  -7.367  -6.035  -1.900
  187   HD13  LEU  26          HD13      LEU  26  -6.202  -4.808  -1.402
  188   HD21  LEU  26          HD21      LEU  26  -5.528  -6.267   1.919
  189   HD22  LEU  26          HD22      LEU  26  -6.700  -4.982   1.622
  190   HD23  LEU  26          HD23      LEU  26  -5.129  -4.944   0.824
  191    H    SER  27           H        SER  27  -8.239 -10.709  -1.482
  192    HA   SER  27           HA       SER  27  -5.477 -11.411  -0.800
  193    HB2  SER  27           HB2      SER  27  -7.007 -12.462   0.824
  194    HB3  SER  27           HB3      SER  27  -7.847 -13.277  -0.505
  195    HG   SER  27           HG       SER  27  -6.412 -14.774   0.087
  196    H    GLY  28           H        GLY  28  -4.417 -12.718  -2.287
  197    HA2  GLY  28           HA2      GLY  28  -4.285 -14.012  -4.283
  198    HA3  GLY  28           HA3      GLY  28  -5.862 -13.376  -4.760
  199    H    ASP  29           H        ASP  29  -5.457 -12.332  -6.639
  200    HA   ASP  29           HA       ASP  29  -3.212 -10.445  -6.599
  201    HB2  ASP  29           HB2      ASP  29  -3.394 -11.941  -8.627
  202    HB3  ASP  29           HB3      ASP  29  -4.911 -11.137  -9.020
  203    H    PHE  30           H        PHE  30  -4.380  -9.272  -5.065
  204    HA   PHE  30           HA       PHE  30  -6.683  -7.794  -5.984
  205    HB2  PHE  30           HB2      PHE  30  -6.552  -6.630  -3.796
  206    HB3  PHE  30           HB3      PHE  30  -6.603  -8.378  -3.632
  207    HD1  PHE  30           HD1      PHE  30  -4.461  -5.408  -3.392
  208    HD2  PHE  30           HD2      PHE  30  -4.792  -9.572  -2.630
  209    HE1  PHE  30           HE1      PHE  30  -2.436  -5.321  -2.015
  210    HE2  PHE  30           HE2      PHE  30  -2.773  -9.487  -1.247
  211    HZ   PHE  30           HZ       PHE  30  -1.624  -7.357  -0.893
  212    H    LEU  31           H        LEU  31  -3.465  -7.621  -6.391
  213    HA   LEU  31           HA       LEU  31  -2.789  -4.946  -6.178
  214    HB2  LEU  31           HB2      LEU  31  -1.603  -6.941  -8.142
  215    HB3  LEU  31           HB3      LEU  31  -1.029  -5.360  -7.824
  216    HG   LEU  31           HG       LEU  31  -0.513  -5.911  -5.487
  217   HD11  LEU  31          HD11      LEU  31  -1.260  -8.731  -6.221
  218   HD12  LEU  31          HD12      LEU  31  -2.054  -7.689  -5.030
  219   HD13  LEU  31          HD13      LEU  31  -0.404  -8.238  -4.758
  220   HD21  LEU  31          HD21      LEU  31   1.199  -6.029  -7.175
  221   HD22  LEU  31          HD22      LEU  31   0.762  -7.701  -7.537
  222   HD23  LEU  31          HD23      LEU  31   1.447  -7.285  -5.962
  223    H    ASP  32           H        ASP  32  -4.617  -6.520  -8.646
  224    HA   ASP  32           HA       ASP  32  -4.378  -4.223 -10.433
  225    HB2  ASP  32           HB2      ASP  32  -4.172  -6.573 -11.260
  226    HB3  ASP  32           HB3      ASP  32  -5.857  -6.827 -10.831
  227    H    LEU  33           H        LEU  33  -6.233  -4.999  -7.835
  228    HA   LEU  33           HA       LEU  33  -8.787  -4.218  -8.920
  229    HB2  LEU  33           HB2      LEU  33  -7.975  -4.839  -6.087
  230    HB3  LEU  33           HB3      LEU  33  -9.610  -4.534  -6.631
  231    HG   LEU  33           HG       LEU  33  -7.878  -6.891  -7.365
  232   HD11  LEU  33          HD11      LEU  33 -10.395  -6.672  -5.743
  233   HD12  LEU  33          HD12      LEU  33  -8.771  -6.988  -5.125
  234   HD13  LEU  33          HD13      LEU  33  -9.567  -8.173  -6.162
  235   HD21  LEU  33          HD21      LEU  33 -10.694  -6.230  -8.246
  236   HD22  LEU  33          HD22      LEU  33  -9.845  -7.743  -8.566
  237   HD23  LEU  33          HD23      LEU  33  -9.259  -6.237  -9.272
  238    H    ARG  34           H        ARG  34  -9.851  -2.383  -8.397
  239    HA   ARG  34           HA       ARG  34  -8.175  -0.087  -7.925
  240    HB2  ARG  34           HB2      ARG  34 -11.130  -0.333  -8.412
  241    HB3  ARG  34           HB3      ARG  34 -10.288   1.190  -8.197
  242    HG2  ARG  34           HG2      ARG  34  -8.958   0.708 -10.203
  243    HG3  ARG  34           HG3      ARG  34  -9.875  -0.789 -10.425
  244    HD2  ARG  34           HD2      ARG  34 -11.938   0.468 -10.574
  245    HD3  ARG  34           HD3      ARG  34 -11.069   1.967 -10.269
  246    HE   ARG  34           HE       ARG  34 -10.211   0.455 -12.571
  247   HH11  ARG  34          HH11      ARG  34 -12.227   3.120 -11.320
  248   HH12  ARG  34          HH12      ARG  34 -12.508   3.821 -12.840
  249   HH21  ARG  34          HH21      ARG  34 -10.546   1.474 -14.673
  250   HH22  ARG  34          HH22      ARG  34 -11.494   2.896 -14.776
  251    H    PHE  35           H        PHE  35  -7.845   0.839  -6.074
  252    HA   PHE  35           HA       PHE  35  -8.779   0.111  -3.586
  253    HB2  PHE  35           HB2      PHE  35  -7.801   2.797  -4.522
  254    HB3  PHE  35           HB3      PHE  35  -8.221   2.479  -2.847
  255    HD1  PHE  35           HD2      PHE  35  -7.037   0.408  -1.788
  256    HD2  PHE  35           HD1      PHE  35  -5.636   2.483  -5.212
  257    HE1  PHE  35           HE2      PHE  35  -4.776  -0.418  -1.352
  258    HE2  PHE  35           HE1      PHE  35  -3.359   1.662  -4.778
  259    HZ   PHE  35           HZ       PHE  35  -2.926   0.213  -2.842
  260    H    GLU  36           H        GLU  36 -10.251   2.431  -5.800
  261    HA   GLU  36           HA       GLU  36 -12.215   3.491  -4.137
  262    HB2  GLU  36           HB2      GLU  36 -13.478   4.092  -6.129
  263    HB3  GLU  36           HB3      GLU  36 -11.770   4.335  -6.436
  264    HG2  GLU  36           HG2      GLU  36 -11.675   2.305  -7.754
  265    HG3  GLU  36           HG3      GLU  36 -13.350   1.934  -7.358
  266    H    ASP  37           H        ASP  37 -12.159   0.408  -5.775
  267    HA   ASP  37           HA       ASP  37 -14.970  -0.088  -5.298
  268    HB2  ASP  37           HB2      ASP  37 -13.955  -0.760  -7.426
  269    HB3  ASP  37           HB3      ASP  37 -12.847  -1.822  -6.573
  270    H    ILE  38           H        ILE  38 -11.932  -0.852  -3.873
  271    HA   ILE  38           HA       ILE  38 -13.173  -2.931  -2.250
  272    HB   ILE  38           HB       ILE  38 -10.875  -3.422  -1.388
  273   HG12  ILE  38          HG12      ILE  38 -10.042  -1.382  -3.473
  274   HG13  ILE  38          HG13      ILE  38  -9.899  -1.193  -1.731
  275   HG21  ILE  38          HG21      ILE  38 -11.804  -4.701  -3.234
  276   HG22  ILE  38          HG22      ILE  38 -10.070  -4.472  -3.465
  277   HG23  ILE  38          HG23      ILE  38 -11.218  -3.499  -4.385
  278   HD11  ILE  38          HD11      ILE  38  -8.439  -3.214  -3.420
  279   HD12  ILE  38          HD12      ILE  38  -8.286  -3.027  -1.673
  280   HD13  ILE  38          HD13      ILE  38  -7.764  -1.730  -2.747
  281    H    GLY  39           H        GLY  39 -13.392   0.089  -2.023
  282    HA2  GLY  39           HA2      GLY  39 -14.009   1.488  -0.313
  283    HA3  GLY  39           HA3      GLY  39 -13.916   0.102   0.757
  284    H    TYR  40           H        TYR  40 -11.356   1.624  -1.141
  285    HA   TYR  40           HA       TYR  40 -10.028   2.251   1.390
  286    HB2  TYR  40           HB2      TYR  40  -8.922   1.299  -1.218
  287    HB3  TYR  40           HB3      TYR  40  -7.951   2.347  -0.205
  288    HD1  TYR  40           HD1      TYR  40 -10.134  -0.619   0.264
  289    HD2  TYR  40           HD2      TYR  40  -6.431   1.258   1.131
  290    HE1  TYR  40           HE1      TYR  40  -9.485  -2.566   1.528
  291    HE2  TYR  40           HE2      TYR  40  -5.726  -0.700   2.424
  292    HH   TYR  40           HH       TYR  40  -7.405  -3.643   2.271
  293    H    ASP  41           H        ASP  41 -10.159   4.249   1.861
  294    HA   ASP  41           HA       ASP  41 -10.515   6.286  -0.155
  295    HB2  ASP  41           HB2      ASP  41 -10.153   6.436   2.819
  296    HB3  ASP  41           HB3      ASP  41 -10.310   7.834   1.775
  297    H    SER  42           H        SER  42  -9.102   8.033  -0.403
  298    HA   SER  42           HA       SER  42  -6.477   7.572  -0.816
  299    HB2  SER  42           HB2      SER  42  -6.685  10.215   0.026
  300    HB3  SER  42           HB3      SER  42  -6.601   9.613  -1.628
  301    H    LEU  43           H        LEU  43  -7.857   8.865   2.215
  302    HA   LEU  43           HA       LEU  43  -5.390   9.392   3.463
  303    HB2  LEU  43           HB2      LEU  43  -8.007   8.632   4.731
  304    HB3  LEU  43           HB3      LEU  43  -6.594   9.110   5.641
  305    HG   LEU  43           HG       LEU  43  -8.088  10.854   3.689
  306   HD11  LEU  43          HD11      LEU  43  -8.812  12.021   5.716
  307   HD12  LEU  43          HD12      LEU  43  -7.978  10.816   6.700
  308   HD13  LEU  43          HD13      LEU  43  -9.355  10.341   5.705
  309   HD21  LEU  43          HD21      LEU  43  -5.697  11.402   3.835
  310   HD22  LEU  43          HD22      LEU  43  -5.824  11.478   5.593
  311   HD23  LEU  43          HD23      LEU  43  -6.691  12.645   4.593
  312    H    ALA  44           H        ALA  44  -7.458   6.525   3.910
  313    HA   ALA  44           HA       ALA  44  -5.640   5.063   5.447
  314    HB1  ALA  44           HB1      ALA  44  -7.709   3.993   3.521
  315    HB2  ALA  44           HB2      ALA  44  -8.004   4.455   5.198
  316    HB3  ALA  44           HB3      ALA  44  -6.946   3.093   4.831
  317    H    LEU  45           H        LEU  45  -5.976   5.389   2.003
  318    HA   LEU  45           HA       LEU  45  -4.200   3.365   1.178
  319    HB2  LEU  45           HB2      LEU  45  -5.975   4.605  -0.101
  320    HB3  LEU  45           HB3      LEU  45  -4.909   5.961  -0.230
  321    HG   LEU  45           HG       LEU  45  -4.551   3.216  -1.456
  322   HD11  LEU  45          HD11      LEU  45  -6.286   4.492  -2.445
  323   HD12  LEU  45          HD12      LEU  45  -4.917   4.385  -3.554
  324   HD13  LEU  45          HD13      LEU  45  -5.218   5.884  -2.654
  325   HD21  LEU  45          HD21      LEU  45  -2.664   4.149  -2.695
  326   HD22  LEU  45          HD22      LEU  45  -2.355   4.198  -0.958
  327   HD23  LEU  45          HD23      LEU  45  -2.823   5.670  -1.813
  328    H    MET  46           H        MET  46  -3.732   6.900   1.544
  329    HA   MET  46           HA       MET  46  -0.940   6.932   1.050
  330    HB2  MET  46           HB2      MET  46  -2.652   8.864   2.628
  331    HB3  MET  46           HB3      MET  46  -0.960   9.139   2.246
  332    HG2  MET  46           HG2      MET  46  -1.493   9.132  -0.117
  333    HG3  MET  46           HG3      MET  46  -3.194   8.844   0.253
  334    HE1  MET  46           HE1      MET  46  -3.623  10.686   2.824
  335    HE2  MET  46           HE2      MET  46  -4.758  10.623   1.475
  336    HE3  MET  46           HE3      MET  46  -4.184  12.180   2.074
  337    H    GLU  47           H        GLU  47  -2.833   6.533   3.936
  338    HA   GLU  47           HA       GLU  47  -0.700   6.768   5.764
  339    HB2  GLU  47           HB2      GLU  47  -3.229   6.985   6.101
  340    HB3  GLU  47           HB3      GLU  47  -3.229   5.235   6.258
  341    HG2  GLU  47           HG2      GLU  47  -1.708   5.376   8.126
  342    HG3  GLU  47           HG3      GLU  47  -1.637   7.128   7.950
  343    H    THR  48           H        THR  48  -2.041   4.119   3.933
  344    HA   THR  48           HA       THR  48  -0.724   1.939   5.118
  345    HB   THR  48           HB       THR  48  -1.534   2.500   2.257
  346    HG1  THR  48           HG1      THR  48  -3.274   2.282   3.674
  347   HG21  THR  48          HG21      THR  48  -0.568  -0.110   3.444
  348   HG22  THR  48          HG22      THR  48   0.252   0.865   2.211
  349   HG23  THR  48          HG23      THR  48  -1.288   0.081   1.842
  350    H    ALA  49           H        ALA  49   0.146   4.026   2.391
  351    HA   ALA  49           HA       ALA  49   2.675   3.029   1.867
  352    HB1  ALA  49           HB1      ALA  49   1.481   4.560   0.369
  353    HB2  ALA  49           HB2      ALA  49   3.093   5.165   0.750
  354    HB3  ALA  49           HB3      ALA  49   1.680   5.860   1.544
  355    H    ALA  50           H        ALA  50   1.647   5.664   3.972
  356    HA   ALA  50           HA       ALA  50   4.086   6.527   4.960
  357    HB1  ALA  50           HB1      ALA  50   1.477   6.380   6.434
  358    HB2  ALA  50           HB2      ALA  50   1.966   7.663   5.326
  359    HB3  ALA  50           HB3      ALA  50   2.845   7.414   6.836
  360    H    ARG  51           H        ARG  51   2.064   3.892   6.105
  361    HA   ARG  51           HA       ARG  51   3.546   3.285   8.424
  362    HB2  ARG  51           HB2      ARG  51   1.236   2.469   8.025
  363    HB3  ARG  51           HB3      ARG  51   1.820   1.463   6.716
  364    HG2  ARG  51           HG2      ARG  51   3.043   0.073   8.255
  365    HG3  ARG  51           HG3      ARG  51   2.665   1.157   9.593
  366    HD2  ARG  51           HD2      ARG  51   0.655  -0.452   7.999
  367    HD3  ARG  51           HD3      ARG  51   1.225  -0.834   9.625
  368    HE   ARG  51           HE       ARG  51  -0.240   1.635   8.971
  369   HH11  ARG  51          HH11      ARG  51   0.000  -1.296  10.986
  370   HH12  ARG  51          HH12      ARG  51  -0.957  -0.660  12.226
  371   HH21  ARG  51          HH21      ARG  51  -1.547   2.479  10.680
  372   HH22  ARG  51          HH22      ARG  51  -1.810   1.576  12.100
  373    H    LEU  52           H        LEU  52   3.675   2.052   5.129
  374    HA   LEU  52           HA       LEU  52   5.891   0.360   5.628
  375    HB2  LEU  52           HB2      LEU  52   4.849   1.415   2.992
  376    HB3  LEU  52           HB3      LEU  52   6.066   0.162   3.168
  377    HG   LEU  52           HG       LEU  52   3.201  -0.053   4.085
  378   HD11  LEU  52          HD11      LEU  52   2.982  -1.697   2.304
  379   HD12  LEU  52          HD12      LEU  52   4.649  -1.409   1.826
  380   HD13  LEU  52          HD13      LEU  52   3.449  -0.128   1.638
  381   HD21  LEU  52          HD21      LEU  52   5.443  -2.078   4.126
  382   HD22  LEU  52          HD22      LEU  52   3.758  -2.394   4.541
  383   HD23  LEU  52          HD23      LEU  52   4.719  -1.299   5.534
  384    H    GLU  53           H        GLU  53   5.599   3.712   4.613
  385    HA   GLU  53           HA       GLU  53   8.203   4.268   3.828
  386    HB2  GLU  53           HB2      GLU  53   6.284   6.033   5.340
  387    HB3  GLU  53           HB3      GLU  53   7.804   6.616   4.691
  388    HG2  GLU  53           HG2      GLU  53   6.977   6.031   2.424
  389    HG3  GLU  53           HG3      GLU  53   5.436   5.574   3.147
  390    H    SER  54           H        SER  54   6.827   4.708   7.051
  391    HA   SER  54           HA       SER  54   9.268   5.305   8.286
  392    HB2  SER  54           HB2      SER  54   6.768   4.179   9.542
  393    HB3  SER  54           HB3      SER  54   8.036   5.104  10.348
  394    HG   SER  54           HG       SER  54   7.319   6.609   8.347
  395    H    ARG  55           H        ARG  55   7.539   2.250   7.885
  396    HA   ARG  55           HA       ARG  55   9.166   0.698   9.599
  397    HB2  ARG  55           HB2      ARG  55   6.951  -0.042   9.035
  398    HB3  ARG  55           HB3      ARG  55   7.350  -0.105   7.329
  399    HG2  ARG  55           HG2      ARG  55   8.849  -1.977   7.722
  400    HG3  ARG  55           HG3      ARG  55   8.539  -1.882   9.459
  401    HD2  ARG  55           HD2      ARG  55   6.215  -2.414   9.111
  402    HD3  ARG  55           HD3      ARG  55   6.432  -2.369   7.364
  403    HE   ARG  55           HE       ARG  55   8.177  -4.262   8.546
  404   HH11  ARG  55          HH11      ARG  55   4.705  -3.842   7.879
  405   HH12  ARG  55          HH12      ARG  55   4.446  -5.470   7.458
  406   HH21  ARG  55          HH21      ARG  55   7.761  -6.561   8.074
  407   HH22  ARG  55          HH22      ARG  55   6.219  -7.044   7.595
  408    H    TYR  56           H        TYR  56   9.233   0.983   6.028
  409    HA   TYR  56           HA       TYR  56  11.635  -0.665   6.069
  410    HB2  TYR  56           HB2      TYR  56   9.720   0.004   3.868
  411    HB3  TYR  56           HB3      TYR  56  11.269  -0.771   3.565
  412    HD1  TYR  56           HD2      TYR  56  11.748  -2.942   4.816
  413    HD2  TYR  56           HD1      TYR  56   7.853  -1.276   4.445
  414    HE1  TYR  56           HE2      TYR  56  10.781  -5.140   5.299
  415    HE2  TYR  56           HE1      TYR  56   6.860  -3.454   4.918
  416    HH   TYR  56           HH       TYR  56   7.525  -5.915   4.786
  417    H    GLY  57           H        GLY  57  10.759   2.617   5.561
  418    HA2  GLY  57           HA2      GLY  57  12.353   4.311   5.419
  419    HA3  GLY  57           HA3      GLY  57  13.548   3.119   4.910
  420    H    VAL  58           H        VAL  58  10.537   4.590   3.845
  421    HA   VAL  58           HA       VAL  58  11.738   5.053   1.252
  422    HB   VAL  58           HB       VAL  58   9.765   4.421  -0.041
  423   HG11  VAL  58          HG11      VAL  58  10.567   2.169   1.747
  424   HG12  VAL  58          HG12      VAL  58  11.375   2.675   0.254
  425   HG13  VAL  58          HG13      VAL  58   9.738   2.004   0.198
  426   HG21  VAL  58          HG21      VAL  58   8.531   3.497   2.543
  427   HG22  VAL  58          HG22      VAL  58   7.856   3.236   0.935
  428   HG23  VAL  58          HG23      VAL  58   8.018   4.874   1.570
  429    H    SER  59           H        SER  59  10.032   6.509  -0.045
  430    HA   SER  59           HA       SER  59   8.777   8.383   1.779
  431    HB2  SER  59           HB2      SER  59  11.215   9.050   1.209
  432    HB3  SER  59           HB3      SER  59  10.652   9.255  -0.444
  433    HG   SER  59           HG       SER  59  10.120  10.719   1.857
  434    H    ILE  60           H        ILE  60   6.768   8.389   1.017
  435    HA   ILE  60           HA       ILE  60   6.355   7.984  -1.879
  436    HB   ILE  60           HB       ILE  60   4.383   7.424   0.361
  437   HG12  ILE  60          HG12      ILE  60   6.187   5.793   0.393
  438   HG13  ILE  60          HG13      ILE  60   4.712   5.032  -0.193
  439   HG21  ILE  60          HG21      ILE  60   4.162   6.868  -2.598
  440   HG22  ILE  60          HG22      ILE  60   3.246   8.070  -1.686
  441   HG23  ILE  60          HG23      ILE  60   3.005   6.352  -1.369
  442   HD11  ILE  60          HD11      ILE  60   7.034   5.971  -1.882
  443   HD12  ILE  60          HD12      ILE  60   5.559   5.222  -2.495
  444   HD13  ILE  60          HD13      ILE  60   6.653   4.300  -1.463
  445    HA   PRO  61           HA       PRO  61   4.951  12.267  -1.728
  446    HB2  PRO  61           HB2      PRO  61   4.393  11.717  -4.584
  447    HB3  PRO  61           HB3      PRO  61   5.406  12.975  -3.870
  448    HG2  PRO  61           HG2      PRO  61   6.475  10.891  -5.163
  449    HG3  PRO  61           HG3      PRO  61   7.252  11.595  -3.732
  450    HD2  PRO  61           HD2      PRO  61   5.610   9.109  -3.970
  451    HD3  PRO  61           HD3      PRO  61   7.096   9.397  -3.036
  452    H    ASP  62           H        ASP  62   2.973  12.802  -1.151
  453    HA   ASP  62           HA       ASP  62   0.812  11.008  -1.110
  454    HB2  ASP  62           HB2      ASP  62  -0.561  12.735  -0.152
  455    HB3  ASP  62           HB3      ASP  62   1.052  12.863   0.526
  456    H    ASP  63           H        ASP  63   1.638  13.357  -3.538
  457    HA   ASP  63           HA       ASP  63  -0.967  13.454  -4.735
  458    HB2  ASP  63           HB2      ASP  63   0.752  15.208  -5.128
  459    HB3  ASP  63           HB3      ASP  63   1.734  14.036  -5.992
  460    H    VAL  64           H        VAL  64   1.843  11.480  -5.047
  461    HA   VAL  64           HA       VAL  64   0.960   9.955  -7.348
  462    HB   VAL  64           HB       VAL  64   2.993   9.190  -5.231
  463   HG11  VAL  64          HG11      VAL  64   2.273   7.324  -6.615
  464   HG12  VAL  64          HG12      VAL  64   3.943   7.752  -6.992
  465   HG13  VAL  64          HG13      VAL  64   2.642   8.238  -8.077
  466   HG21  VAL  64          HG21      VAL  64   3.629  11.323  -6.204
  467   HG22  VAL  64          HG22      VAL  64   3.461  10.654  -7.828
  468   HG23  VAL  64          HG23      VAL  64   4.721  10.051  -6.753
  469    H    ALA  65           H        ALA  65   1.153   9.486  -3.869
  470    HA   ALA  65           HA       ALA  65  -0.037   6.974  -3.715
  471    HB1  ALA  65           HB1      ALA  65   1.168   7.991  -1.869
  472    HB2  ALA  65           HB2      ALA  65  -0.451   7.501  -1.361
  473    HB3  ALA  65           HB3      ALA  65  -0.096   9.205  -1.702
  474    H    GLY  66           H        GLY  66  -1.533  10.140  -4.031
  475    HA2  GLY  66           HA2      GLY  66  -4.182   9.087  -3.561
  476    HA3  GLY  66           HA3      GLY  66  -3.774  10.724  -4.058
  477    H    ARG  67           H        ARG  67  -2.069   9.038  -6.149
  478    HA   ARG  67           HA       ARG  67  -4.189   9.133  -8.158
  479    HB2  ARG  67           HB2      ARG  67  -2.218  10.491  -8.660
  480    HB3  ARG  67           HB3      ARG  67  -1.181   9.075  -8.503
  481    HG2  ARG  67           HG2      ARG  67  -2.341   8.035 -10.383
  482    HG3  ARG  67           HG3      ARG  67  -3.338   9.476 -10.545
  483    HD2  ARG  67           HD2      ARG  67  -1.371  10.790 -11.105
  484    HD3  ARG  67           HD3      ARG  67  -0.339   9.372 -10.863
  485    HE   ARG  67           HE       ARG  67  -2.167   8.512 -12.623
  486   HH11  ARG  67          HH11      ARG  67   0.173  11.189 -12.699
  487   HH12  ARG  67          HH12      ARG  67   0.182  11.300 -14.403
  488   HH21  ARG  67          HH21      ARG  67  -2.081   8.643 -14.955
  489   HH22  ARG  67          HH22      ARG  67  -1.081   9.810 -15.692
  490    H    VAL  68           H        VAL  68  -2.076   6.924  -6.540
  491    HA   VAL  68           HA       VAL  68  -2.237   4.881  -8.525
  492    HB   VAL  68           HB       VAL  68  -1.293   3.361  -6.681
  493   HG11  VAL  68          HG11      VAL  68   0.231   5.868  -7.373
  494   HG12  VAL  68          HG12      VAL  68   0.123   4.403  -8.358
  495   HG13  VAL  68          HG13      VAL  68   0.918   4.353  -6.782
  496   HG21  VAL  68          HG21      VAL  68  -2.082   4.652  -4.744
  497   HG22  VAL  68          HG22      VAL  68  -1.041   5.996  -5.235
  498   HG23  VAL  68          HG23      VAL  68  -0.327   4.466  -4.729
  499    H    ASP  69           H        ASP  69  -4.016   4.007  -9.036
  500    HA   ASP  69           HA       ASP  69  -6.198   3.761  -7.201
  501    HB2  ASP  69           HB2      ASP  69  -7.463   3.101  -9.136
  502    HB3  ASP  69           HB3      ASP  69  -6.575   4.582  -9.489
  503    H    THR  70           H        THR  70  -3.569   1.832  -8.137
  504    HA   THR  70           HA       THR  70  -5.060  -0.536  -7.286
  505    HB   THR  70           HB       THR  70  -3.597  -1.873  -8.862
  506    HG1  THR  70           HG1      THR  70  -2.895   0.746  -9.647
  507   HG21  THR  70          HG21      THR  70  -5.562   0.084 -10.053
  508   HG22  THR  70          HG22      THR  70  -5.947  -1.487  -9.348
  509   HG23  THR  70          HG23      THR  70  -5.002  -1.395 -10.838
  510    HA   PRO  71           HA       PRO  71  -1.988  -1.035  -4.151
  511    HB2  PRO  71           HB2      PRO  71  -2.369  -3.958  -4.556
  512    HB3  PRO  71           HB3      PRO  71  -2.533  -2.982  -3.106
  513    HG2  PRO  71           HG2      PRO  71  -4.696  -3.876  -4.380
  514    HG3  PRO  71           HG3      PRO  71  -4.665  -2.285  -3.595
  515    HD2  PRO  71           HD2      PRO  71  -4.464  -2.982  -6.491
  516    HD3  PRO  71           HD3      PRO  71  -5.275  -1.609  -5.714
  517    H    ARG  72           H        ARG  72  -1.788  -2.835  -7.137
  518    HA   ARG  72           HA       ARG  72   0.771  -3.915  -6.989
  519    HB2  ARG  72           HB2      ARG  72  -0.842  -4.327  -8.794
  520    HB3  ARG  72           HB3      ARG  72  -0.581  -2.697  -9.388
  521    HG2  ARG  72           HG2      ARG  72   1.743  -3.243  -9.877
  522    HG3  ARG  72           HG3      ARG  72   1.477  -4.889  -9.281
  523    HD2  ARG  72           HD2      ARG  72   1.304  -4.788 -11.709
  524    HD3  ARG  72           HD3      ARG  72  -0.239  -5.225 -10.967
  525    HE   ARG  72           HE       ARG  72   0.399  -2.495 -11.785
  526   HH11  ARG  72          HH11      ARG  72  -1.900  -5.243 -11.677
  527   HH12  ARG  72          HH12      ARG  72  -3.092  -4.472 -12.608
  528   HH21  ARG  72          HH21      ARG  72  -1.265  -1.450 -13.128
  529   HH22  ARG  72          HH22      ARG  72  -2.750  -2.243 -13.393
  530    H    GLU  73           H        GLU  73  -0.230  -0.775  -8.264
  531    HA   GLU  73           HA       GLU  73   2.381   0.122  -8.747
  532    HB2  GLU  73           HB2      GLU  73  -0.199   1.624  -8.475
  533    HB3  GLU  73           HB3      GLU  73   1.272   2.362  -9.068
  534    HG2  GLU  73           HG2      GLU  73  -0.398   0.209 -10.321
  535    HG3  GLU  73           HG3      GLU  73   0.020   1.793 -10.966
  536    H    LEU  74           H        LEU  74   0.274   0.361  -5.984
  537    HA   LEU  74           HA       LEU  74   1.833   2.280  -4.572
  538    HB2  LEU  74           HB2      LEU  74  -0.575   1.648  -4.109
  539    HB3  LEU  74           HB3      LEU  74   0.018   0.151  -3.405
  540    HG   LEU  74           HG       LEU  74  -0.707   1.884  -1.748
  541   HD11  LEU  74          HD11      LEU  74   2.191   1.105  -1.546
  542   HD12  LEU  74          HD12      LEU  74   0.807   0.148  -1.018
  543   HD13  LEU  74          HD13      LEU  74   1.182   1.674  -0.217
  544   HD21  LEU  74          HD21      LEU  74   0.758   3.796  -1.309
  545   HD22  LEU  74          HD22      LEU  74   0.036   3.873  -2.916
  546   HD23  LEU  74          HD23      LEU  74   1.717   3.375  -2.727
  547    H    LEU  75           H        LEU  75   1.732  -1.249  -4.621
  548    HA   LEU  75           HA       LEU  75   3.776  -1.822  -2.811
  549    HB2  LEU  75           HB2      LEU  75   2.319  -3.540  -3.795
  550    HB3  LEU  75           HB3      LEU  75   3.033  -3.260  -5.366
  551    HG   LEU  75           HG       LEU  75   5.219  -4.161  -4.496
  552   HD11  LEU  75          HD11      LEU  75   4.905  -3.574  -2.160
  553   HD12  LEU  75          HD12      LEU  75   5.287  -5.277  -2.388
  554   HD13  LEU  75          HD13      LEU  75   3.629  -4.787  -2.029
  555   HD21  LEU  75          HD21      LEU  75   3.628  -5.610  -5.651
  556   HD22  LEU  75          HD22      LEU  75   2.829  -5.951  -4.119
  557   HD23  LEU  75          HD23      LEU  75   4.493  -6.483  -4.383
  558    H    ASP  76           H        ASP  76   3.855  -1.280  -6.296
  559    HA   ASP  76           HA       ASP  76   6.607  -1.581  -6.676
  560    HB2  ASP  76           HB2      ASP  76   4.891  -1.599  -8.488
  561    HB3  ASP  76           HB3      ASP  76   4.732   0.143  -8.313
  562    H    LEU  77           H        LEU  77   4.759   1.207  -5.675
  563    HA   LEU  77           HA       LEU  77   6.800   3.134  -5.850
  564    HB2  LEU  77           HB2      LEU  77   4.494   2.936  -3.918
  565    HB3  LEU  77           HB3      LEU  77   5.557   4.321  -4.029
  566    HG   LEU  77           HG       LEU  77   3.743   3.327  -6.219
  567   HD11  LEU  77          HD11      LEU  77   2.475   5.366  -5.759
  568   HD12  LEU  77          HD12      LEU  77   3.555   5.730  -4.413
  569   HD13  LEU  77          HD13      LEU  77   2.521   4.303  -4.352
  570   HD21  LEU  77          HD21      LEU  77   5.769   4.371  -7.082
  571   HD22  LEU  77          HD22      LEU  77   5.494   5.774  -6.048
  572   HD23  LEU  77          HD23      LEU  77   4.366   5.401  -7.351
  573    H    ILE  78           H        ILE  78   5.775   1.175  -3.082
  574    HA   ILE  78           HA       ILE  78   7.821   2.029  -1.281
  575    HB   ILE  78           HB       ILE  78   6.406  -0.653  -1.252
  576   HG12  ILE  78          HG12      ILE  78   4.731   1.183  -1.423
  577   HG13  ILE  78          HG13      ILE  78   4.640   0.326   0.106
  578   HG21  ILE  78          HG21      ILE  78   7.605   0.998   0.973
  579   HG22  ILE  78          HG22      ILE  78   8.268  -0.488   0.296
  580   HG23  ILE  78          HG23      ILE  78   6.748  -0.528   1.188
  581   HD11  ILE  78          HD11      ILE  78   4.356   2.715   0.397
  582   HD12  ILE  78          HD12      ILE  78   5.931   3.004  -0.344
  583   HD13  ILE  78          HD13      ILE  78   5.823   2.153   1.195
  584    H    ASN  79           H        ASN  79   7.323  -0.991  -2.977
  585    HA   ASN  79           HA       ASN  79   9.661  -2.370  -2.358
  586    HB2  ASN  79           HB2      ASN  79   7.512  -3.274  -3.236
  587    HB3  ASN  79           HB3      ASN  79   7.880  -2.574  -4.794
  588   HD21  ASN  79          HD21      ASN  79   7.303  -5.278  -3.916
  589   HD22  ASN  79          HD22      ASN  79   8.586  -6.256  -4.469
  590    H    GLY  80           H        GLY  80   8.882  -0.307  -5.152
  591    HA2  GLY  80           HA2      GLY  80  11.316  -0.691  -6.526
  592    HA3  GLY  80           HA3      GLY  80  10.177   0.626  -6.774
  593    H    ALA  81           H        ALA  81  10.244   1.711  -4.144
  594    HA   ALA  81           HA       ALA  81  12.542   3.349  -4.372
  595    HB1  ALA  81           HB1      ALA  81  10.643   3.061  -2.044
  596    HB2  ALA  81           HB2      ALA  81  10.427   4.158  -3.407
  597    HB3  ALA  81           HB3      ALA  81  11.777   4.386  -2.292
  598    H    LEU  82           H        LEU  82  11.759   0.525  -2.519
  599    HA   LEU  82           HA       LEU  82  13.999   0.571  -0.792
  600    HB2  LEU  82           HB2      LEU  82  12.322  -1.727  -1.790
  601    HB3  LEU  82           HB3      LEU  82  13.570  -1.890  -0.570
  602    HG   LEU  82           HG       LEU  82  11.115  -0.162  -0.282
  603   HD11  LEU  82          HD11      LEU  82  10.362  -1.864   1.302
  604   HD12  LEU  82          HD12      LEU  82  11.768  -2.855   0.910
  605   HD13  LEU  82          HD13      LEU  82  10.544  -2.533  -0.321
  606   HD21  LEU  82          HD21      LEU  82  13.095   0.614   0.945
  607   HD22  LEU  82          HD22      LEU  82  13.226  -0.968   1.720
  608   HD23  LEU  82          HD23      LEU  82  11.819   0.055   2.019
  609    H    ALA  83           H        ALA  83  13.428  -0.810  -3.957
  610    HA   ALA  83           HA       ALA  83  15.956  -2.027  -4.268
  611    HB1  ALA  83           HB1      ALA  83  15.411  -2.129  -6.646
  612    HB2  ALA  83           HB2      ALA  83  14.075  -1.003  -6.394
  613    HB3  ALA  83           HB3      ALA  83  14.025  -2.606  -5.663
  614    H    GLU  84           H        GLU  84  14.685   1.103  -5.284
  615    HA   GLU  84           HA       GLU  84  16.994   2.041  -6.573
  616    HB2  GLU  84           HB2      GLU  84  14.742   3.586  -5.307
  617    HB3  GLU  84           HB3      GLU  84  15.973   4.286  -6.345
  618    HG2  GLU  84           HG2      GLU  84  15.221   2.853  -8.182
  619    HG3  GLU  84           HG3      GLU  84  13.970   2.185  -7.131
  620    H    ALA  85           H        ALA  85  15.796   2.781  -3.283
  621    HA   ALA  85           HA       ALA  85  18.299   4.141  -2.777
  622    HB1  ALA  85           HB1      ALA  85  16.218   5.218  -2.068
  623    HB2  ALA  85           HB2      ALA  85  17.280   4.890  -0.699
  624    HB3  ALA  85           HB3      ALA  85  15.882   3.856  -0.998
  625    H    ALA  86           H        ALA  86  19.567   2.302  -2.909
  626    HA   ALA  86           HA       ALA  86  20.125   1.058  -0.429
  627    HB1  ALA  86           HB1      ALA  86  19.096  -0.699  -2.679
  628    HB2  ALA  86           HB2      ALA  86  18.289  -0.423  -1.137
  629    HB3  ALA  86           HB3      ALA  86  19.828  -1.280  -1.182
  630    H28  SXA  87          H28A      SXA  87  -7.678  12.368   1.751
  631   H28A  SXA  87          H28B      SXA  87  -6.927  12.071   0.177
  632    H30  SXA  87          H30A      SXA  87  -6.255  13.605  -1.269
  633   H30A  SXA  87          H30B      SXA  87  -6.928  15.235  -1.263
  634   H30B  SXA  87          H30C      SXA  87  -7.963  13.853  -1.627
  635    H31  SXA  87          H31A      SXA  87  -8.478  15.946   0.591
  636   H31A  SXA  87          H31B      SXA  87  -8.932  14.780   1.831
  637   H31B  SXA  87          H31C      SXA  87  -9.531  14.590   0.183
  638    H32  SXA  87          H32A      SXA  87  -5.404  13.805   1.177
  639   HO33  SXA  87          H33A      SXA  87  -6.392  15.285   3.098
  640   HN36  SXA  87          H36A      SXA  87  -4.467  15.318  -0.301
  641    H37  SXA  87          H37A      SXA  87  -5.077  18.108  -0.470
  642   H37A  SXA  87          H37B      SXA  87  -3.771  17.810   0.658
  643    H38  SXA  87          H38A      SXA  87  -2.774  18.317  -1.398
  644   H38A  SXA  87          H38B      SXA  87  -2.534  16.579  -1.136
  645   HN41  SXA  87          H41A      SXA  87  -5.687  17.350  -2.004
  646    H42  SXA  87          H42A      SXA  87  -5.929  17.925  -4.580
  647   H42A  SXA  87          H42B      SXA  87  -5.540  16.193  -4.630
  648    H43  SXA  87          H43A      SXA  87  -7.469  15.713  -3.265
  649   H43A  SXA  87          H43B      SXA  87  -8.041  16.793  -4.565
  650    H2   SXA  87           H2C      SXA  87 -11.193  18.396  -1.579
  651    H2A  SXA  87           H2A      SXA  87  -9.680  18.706  -0.718
  652    H2B  SXA  87           H2B      SXA  87 -10.588  17.221  -0.402
  Start of MODEL   10
    1    H1   MET   1           H1       MET   1  20.074  -9.363  -1.800
    2    H2   MET   1           H2       MET   1  18.524  -8.775  -1.515
    3    H3   MET   1           H3       MET   1  19.724  -8.523  -0.372
    4    HA   MET   1           HA       MET   1  20.945  -7.142  -1.865
    5    HB2  MET   1           HB2      MET   1  18.578  -7.549  -3.722
    6    HB3  MET   1           HB3      MET   1  19.824  -6.337  -3.955
    7    HG2  MET   1           HG2      MET   1  20.295  -8.167  -5.396
    8    HG3  MET   1           HG3      MET   1  21.497  -8.170  -4.113
    9    HE1  MET   1           HE1      MET   1  17.740  -9.469  -4.149
   10    HE2  MET   1           HE2      MET   1  17.996 -11.179  -4.485
   11    HE3  MET   1           HE3      MET   1  18.401  -9.970  -5.703
   12    H    ALA   2           H        ALA   2  17.360  -7.042  -1.684
   13    HA   ALA   2           HA       ALA   2  17.517  -4.906   0.222
   14    HB1  ALA   2           HB1      ALA   2  16.195  -4.524  -2.477
   15    HB2  ALA   2           HB2      ALA   2  17.615  -3.660  -1.894
   16    HB3  ALA   2           HB3      ALA   2  16.054  -3.424  -1.105
   17    H    THR   3           H        THR   3  15.371  -4.616   1.191
   18    HA   THR   3           HA       THR   3  13.871  -7.073   1.139
   19    HB   THR   3           HB       THR   3  13.405  -4.448   2.598
   20    HG1  THR   3           HG1      THR   3  14.685  -6.868   3.357
   21   HG21  THR   3          HG21      THR   3  12.303  -7.222   3.126
   22   HG22  THR   3          HG22      THR   3  11.387  -5.865   2.471
   23   HG23  THR   3          HG23      THR   3  12.010  -5.793   4.121
   24    H    LEU   4           H        LEU   4  12.663  -7.280  -0.680
   25    HA   LEU   4           HA       LEU   4  11.072  -4.990  -1.546
   26    HB2  LEU   4           HB2      LEU   4  11.729  -7.551  -3.016
   27    HB3  LEU   4           HB3      LEU   4  10.773  -6.228  -3.652
   28    HG   LEU   4           HG       LEU   4  13.721  -6.162  -3.006
   29   HD11  LEU   4          HD11      LEU   4  12.246  -6.059  -5.626
   30   HD12  LEU   4          HD12      LEU   4  13.208  -7.406  -5.014
   31   HD13  LEU   4          HD13      LEU   4  13.988  -5.876  -5.418
   32   HD21  LEU   4          HD21      LEU   4  11.953  -3.989  -4.140
   33   HD22  LEU   4          HD22      LEU   4  13.708  -3.912  -3.973
   34   HD23  LEU   4          HD23      LEU   4  12.687  -3.999  -2.538
   35    H    LEU   5           H        LEU   5   8.987  -5.080  -1.264
   36    HA   LEU   5           HA       LEU   5   8.025  -7.124   0.504
   37    HB2  LEU   5           HB2      LEU   5   6.607  -4.734  -0.620
   38    HB3  LEU   5           HB3      LEU   5   6.083  -5.726   0.725
   39    HG   LEU   5           HG       LEU   5   8.411  -3.844   0.628
   40   HD11  LEU   5          HD11      LEU   5   7.226  -2.768   2.471
   41   HD12  LEU   5          HD12      LEU   5   5.924  -3.947   2.308
   42   HD13  LEU   5          HD13      LEU   5   6.262  -2.820   0.995
   43   HD21  LEU   5          HD21      LEU   5   9.112  -5.855   1.800
   44   HD22  LEU   5          HD22      LEU   5   7.663  -5.791   2.805
   45   HD23  LEU   5          HD23      LEU   5   8.885  -4.526   2.936
   46    H    THR   6           H        THR   6   6.264  -8.419   0.190
   47    HA   THR   6           HA       THR   6   5.652  -8.891  -2.625
   48    HB   THR   6           HB       THR   6   4.879 -11.143  -1.853
   49    HG1  THR   6           HG1      THR   6   6.258 -10.896   0.549
   50   HG21  THR   6          HG21      THR   6   7.130 -12.078  -1.468
   51   HG22  THR   6          HG22      THR   6   7.740 -10.458  -1.128
   52   HG23  THR   6          HG23      THR   6   7.159 -10.857  -2.743
   53    H    THR   7           H        THR   7   3.338 -10.225  -2.547
   54    HA   THR   7           HA       THR   7   1.335  -8.388  -2.207
   55    HB   THR   7           HB       THR   7   1.166 -11.410  -2.199
   56    HG1  THR   7           HG1      THR   7   1.226 -11.210  -4.425
   57   HG21  THR   7          HG21      THR   7  -0.972 -10.276  -1.640
   58   HG22  THR   7          HG22      THR   7  -1.042 -11.038  -3.226
   59   HG23  THR   7          HG23      THR   7  -0.819  -9.295  -3.097
   60    H    ASP   8           H        ASP   8   2.712 -10.676   0.114
   61    HA   ASP   8           HA       ASP   8   0.537 -10.510   1.962
   62    HB2  ASP   8           HB2      ASP   8   2.015 -12.432   2.078
   63    HB3  ASP   8           HB3      ASP   8   3.386 -11.384   2.447
   64    H    ASP   9           H        ASP   9   3.581  -8.805   1.660
   65    HA   ASP   9           HA       ASP   9   3.359  -7.403   4.134
   66    HB2  ASP   9           HB2      ASP   9   4.830  -6.604   1.631
   67    HB3  ASP   9           HB3      ASP   9   5.064  -5.872   3.215
   68    H    LEU  10           H        LEU  10   2.474  -6.724   0.844
   69    HA   LEU  10           HA       LEU  10   1.429  -4.131   1.228
   70    HB2  LEU  10           HB2      LEU  10   2.077  -5.183  -0.944
   71    HB3  LEU  10           HB3      LEU  10   0.676  -6.218  -0.815
   72    HG   LEU  10           HG       LEU  10  -0.771  -4.206  -0.919
   73   HD11  LEU  10          HD11      LEU  10   1.820  -2.777  -1.510
   74   HD12  LEU  10          HD12      LEU  10   0.817  -2.555  -0.077
   75   HD13  LEU  10          HD13      LEU  10   0.203  -2.089  -1.664
   76   HD21  LEU  10          HD21      LEU  10  -0.295  -5.532  -2.894
   77   HD22  LEU  10          HD22      LEU  10   1.161  -4.584  -3.192
   78   HD23  LEU  10          HD23      LEU  10  -0.426  -3.822  -3.303
   79    H    ARG  11           H        ARG  11   0.011  -7.362   1.201
   80    HA   ARG  11           HA       ARG  11  -2.660  -7.012   1.669
   81    HB2  ARG  11           HB2      ARG  11  -1.858  -9.215   1.454
   82    HB3  ARG  11           HB3      ARG  11  -0.669  -9.003   2.726
   83    HG2  ARG  11           HG2      ARG  11  -2.680  -8.781   4.298
   84    HG3  ARG  11           HG3      ARG  11  -3.618  -9.453   2.961
   85    HD2  ARG  11           HD2      ARG  11  -2.274 -11.430   2.933
   86    HD3  ARG  11           HD3      ARG  11  -1.159 -10.743   4.117
   87    HE   ARG  11           HE       ARG  11  -3.976 -11.157   4.808
   88   HH11  ARG  11          HH11      ARG  11  -0.546 -12.043   5.360
   89   HH12  ARG  11          HH12      ARG  11  -0.902 -12.735   6.878
   90   HH21  ARG  11          HH21      ARG  11  -4.377 -12.104   6.769
   91   HH22  ARG  11          HH22      ARG  11  -3.143 -12.841   7.709
   92    H    ARG  12           H        ARG  12  -0.140  -7.304   4.097
   93    HA   ARG  12           HA       ARG  12  -1.668  -6.938   6.374
   94    HB2  ARG  12           HB2      ARG  12   1.218  -6.218   5.882
   95    HB3  ARG  12           HB3      ARG  12   0.470  -6.284   7.475
   96    HG2  ARG  12           HG2      ARG  12   0.048  -8.653   7.192
   97    HG3  ARG  12           HG3      ARG  12   0.717  -8.590   5.560
   98    HD2  ARG  12           HD2      ARG  12   2.882  -7.943   6.455
   99    HD3  ARG  12           HD3      ARG  12   2.219  -7.947   8.091
  100    HE   ARG  12           HE       ARG  12   2.379 -10.348   6.392
  101   HH11  ARG  12          HH11      ARG  12   2.899  -8.700   9.463
  102   HH12  ARG  12          HH12      ARG  12   3.197 -10.119  10.372
  103   HH21  ARG  12          HH21      ARG  12   2.809 -12.315   7.612
  104   HH22  ARG  12          HH22      ARG  12   3.246 -12.209   9.264
  105    H    ALA  13           H        ALA  13  -0.032  -4.556   4.382
  106    HA   ALA  13           HA       ALA  13  -0.659  -2.369   6.031
  107    HB1  ALA  13           HB1      ALA  13  -0.049  -2.383   3.082
  108    HB2  ALA  13           HB2      ALA  13   1.151  -2.298   4.377
  109    HB3  ALA  13           HB3      ALA  13   0.002  -0.978   4.144
  110    H    LEU  14           H        LEU  14  -2.222  -3.574   3.047
  111    HA   LEU  14           HA       LEU  14  -4.241  -1.596   3.166
  112    HB2  LEU  14           HB2      LEU  14  -3.977  -4.088   1.549
  113    HB3  LEU  14           HB3      LEU  14  -5.517  -3.265   1.606
  114    HG   LEU  14           HG       LEU  14  -4.334  -1.200   0.783
  115   HD11  LEU  14          HD11      LEU  14  -2.061  -1.784   1.343
  116   HD12  LEU  14          HD12      LEU  14  -2.232  -1.475  -0.385
  117   HD13  LEU  14          HD13      LEU  14  -2.111  -3.132   0.207
  118   HD21  LEU  14          HD21      LEU  14  -5.717  -2.568  -0.643
  119   HD22  LEU  14          HD22      LEU  14  -4.351  -3.629  -0.983
  120   HD23  LEU  14          HD23      LEU  14  -4.326  -1.953  -1.530
  121    H    VAL  15           H        VAL  15  -4.033  -4.674   4.690
  122    HA   VAL  15           HA       VAL  15  -6.801  -4.722   5.449
  123    HB   VAL  15           HB       VAL  15  -4.418  -6.155   6.707
  124   HG11  VAL  15          HG11      VAL  15  -6.084  -7.621   7.771
  125   HG12  VAL  15          HG12      VAL  15  -7.378  -6.623   7.114
  126   HG13  VAL  15          HG13      VAL  15  -6.261  -5.948   8.300
  127   HG21  VAL  15          HG21      VAL  15  -6.518  -7.165   4.778
  128   HG22  VAL  15          HG22      VAL  15  -5.263  -8.140   5.546
  129   HG23  VAL  15          HG23      VAL  15  -4.813  -6.866   4.418
  130    H    GLU  16           H        GLU  16  -3.818  -4.147   7.305
  131    HA   GLU  16           HA       GLU  16  -5.166  -3.402   9.633
  132    HB2  GLU  16           HB2      GLU  16  -2.293  -3.011   8.846
  133    HB3  GLU  16           HB3      GLU  16  -2.930  -2.800  10.473
  134    HG2  GLU  16           HG2      GLU  16  -3.604  -5.132  10.535
  135    HG3  GLU  16           HG3      GLU  16  -3.027  -5.367   8.890
  136    H    SER  17           H        SER  17  -4.283  -1.387   6.917
  137    HA   SER  17           HA       SER  17  -4.328   1.028   8.472
  138    HB2  SER  17           HB2      SER  17  -4.584   0.750   5.465
  139    HB3  SER  17           HB3      SER  17  -4.179   2.214   6.361
  140    HG   SER  17           HG       SER  17  -2.699  -0.063   5.856
  141    H    ALA  18           H        ALA  18  -6.644  -0.589   6.318
  142    HA   ALA  18           HA       ALA  18  -8.692   1.354   6.768
  143    HB1  ALA  18           HB1      ALA  18 -10.162  -0.255   5.638
  144    HB2  ALA  18           HB2      ALA  18  -8.894  -1.479   5.726
  145    HB3  ALA  18           HB3      ALA  18  -8.660  -0.035   4.739
  146    H    GLY  19           H        GLY  19  -8.132  -1.978   7.839
  147    HA2  GLY  19           HA2      GLY  19  -8.691  -1.703  10.454
  148    HA3  GLY  19           HA3      GLY  19 -10.271  -1.901   9.699
  149    H    GLU  20           H        GLU  20  -8.020  -3.534  11.232
  150    HA   GLU  20           HA       GLU  20  -7.633  -5.883   9.733
  151    HB2  GLU  20           HB2      GLU  20  -7.855  -5.479  12.720
  152    HB3  GLU  20           HB3      GLU  20  -7.277  -6.952  11.953
  153    HG2  GLU  20           HG2      GLU  20  -5.377  -5.791  11.042
  154    HG3  GLU  20           HG3      GLU  20  -5.988  -4.251  11.653
  155    H    THR  21           H        THR  21  -9.167  -7.253   8.982
  156    HA   THR  21           HA       THR  21 -11.050  -8.168   8.548
  157    HB   THR  21           HB       THR  21 -12.408  -9.212  10.404
  158    HG1  THR  21           HG1      THR  21 -10.876  -7.495  11.901
  159   HG21  THR  21          HG21      THR  21 -10.533 -10.391   9.409
  160   HG22  THR  21          HG22      THR  21 -10.640 -10.747  11.137
  161   HG23  THR  21          HG23      THR  21  -9.424  -9.618  10.543
  162    H    ASP  22           H        ASP  22 -11.067  -5.551   8.289
  163    HA   ASP  22           HA       ASP  22 -13.280  -4.114   9.264
  164    HB2  ASP  22           HB2      ASP  22 -11.490  -3.032   7.995
  165    HB3  ASP  22           HB3      ASP  22 -11.901  -3.966   6.568
  166    H    GLY  23           H        GLY  23 -12.889  -6.280   6.580
  167    HA2  GLY  23           HA2      GLY  23 -15.103  -7.545   6.184
  168    HA3  GLY  23           HA3      GLY  23 -15.656  -5.927   5.730
  169    H    THR  24           H        THR  24 -13.211  -5.045   4.752
  170    HA   THR  24           HA       THR  24 -12.957  -6.658   2.349
  171    HB   THR  24           HB       THR  24 -13.804  -4.466   1.789
  172    HG1  THR  24           HG1      THR  24 -11.072  -4.319   1.167
  173   HG21  THR  24          HG21      THR  24 -13.099  -3.180   3.751
  174   HG22  THR  24          HG22      THR  24 -12.574  -2.371   2.272
  175   HG23  THR  24          HG23      THR  24 -11.416  -3.295   3.230
  176    H    ASP  25           H        ASP  25 -11.542  -8.005   3.637
  177    HA   ASP  25           HA       ASP  25  -8.983  -6.895   4.401
  178    HB2  ASP  25           HB2      ASP  25  -9.896  -9.789   4.258
  179    HB3  ASP  25           HB3      ASP  25  -8.382  -9.232   4.956
  180    H    LEU  26           H        LEU  26  -7.289  -6.806   3.088
  181    HA   LEU  26           HA       LEU  26  -7.712  -7.780   0.408
  182    HB2  LEU  26           HB2      LEU  26  -5.780  -5.709   1.445
  183    HB3  LEU  26           HB3      LEU  26  -5.715  -6.340  -0.182
  184    HG   LEU  26           HG       LEU  26  -6.755  -4.278  -0.358
  185   HD11  LEU  26          HD11      LEU  26  -9.018  -4.739  -1.123
  186   HD12  LEU  26          HD12      LEU  26  -8.937  -6.320  -0.348
  187   HD13  LEU  26          HD13      LEU  26  -7.840  -5.936  -1.675
  188   HD21  LEU  26          HD21      LEU  26  -7.272  -3.862   1.990
  189   HD22  LEU  26          HD22      LEU  26  -8.600  -5.016   1.914
  190   HD23  LEU  26          HD23      LEU  26  -8.671  -3.526   0.970
  191    H    SER  27           H        SER  27  -7.351  -9.783   1.107
  192    HA   SER  27           HA       SER  27  -4.487 -10.468   0.997
  193    HB2  SER  27           HB2      SER  27  -5.321 -10.915   3.252
  194    HB3  SER  27           HB3      SER  27  -6.597 -11.943   2.591
  195    HG   SER  27           HG       SER  27  -5.087 -13.425   1.978
  196    H    GLY  28           H        GLY  28  -4.272 -11.062  -1.091
  197    HA2  GLY  28           HA2      GLY  28  -4.808 -13.425  -2.105
  198    HA3  GLY  28           HA3      GLY  28  -6.342 -12.593  -2.370
  199    H    ASP  29           H        ASP  29  -6.364 -12.190  -4.468
  200    HA   ASP  29           HA       ASP  29  -3.940 -11.252  -5.810
  201    HB2  ASP  29           HB2      ASP  29  -5.135 -11.695  -7.853
  202    HB3  ASP  29           HB3      ASP  29  -5.165 -13.135  -6.833
  203    H    PHE  30           H        PHE  30  -4.930  -9.510  -4.111
  204    HA   PHE  30           HA       PHE  30  -6.871  -7.744  -5.258
  205    HB2  PHE  30           HB2      PHE  30  -6.634  -6.464  -3.254
  206    HB3  PHE  30           HB3      PHE  30  -6.698  -8.187  -2.874
  207    HD1  PHE  30           HD2      PHE  30  -4.680  -9.359  -2.104
  208    HD2  PHE  30           HD1      PHE  30  -4.688  -5.159  -2.738
  209    HE1  PHE  30           HE2      PHE  30  -2.604  -9.159  -0.817
  210    HE2  PHE  30           HE1      PHE  30  -2.613  -4.956  -1.451
  211    HZ   PHE  30           HZ       PHE  30  -1.569  -6.957  -0.489
  212    H    LEU  31           H        LEU  31  -3.747  -8.192  -5.922
  213    HA   LEU  31           HA       LEU  31  -2.404  -5.801  -5.843
  214    HB2  LEU  31           HB2      LEU  31  -2.250  -7.947  -7.942
  215    HB3  LEU  31           HB3      LEU  31  -1.125  -6.615  -7.802
  216    HG   LEU  31           HG       LEU  31  -1.570  -8.706  -5.679
  217   HD11  LEU  31          HD11      LEU  31  -0.527  -9.653  -7.674
  218   HD12  LEU  31          HD12      LEU  31   0.632  -9.547  -6.346
  219   HD13  LEU  31          HD13      LEU  31   0.684  -8.371  -7.659
  220   HD21  LEU  31          HD21      LEU  31   0.495  -6.524  -5.928
  221   HD22  LEU  31          HD22      LEU  31   0.444  -7.760  -4.666
  222   HD23  LEU  31          HD23      LEU  31  -0.844  -6.562  -4.781
  223    H    ASP  32           H        ASP  32  -4.710  -6.832  -8.331
  224    HA   ASP  32           HA       ASP  32  -4.353  -4.197  -9.547
  225    HB2  ASP  32           HB2      ASP  32  -5.307  -5.098 -11.601
  226    HB3  ASP  32           HB3      ASP  32  -3.901  -6.015 -11.089
  227    H    LEU  33           H        LEU  33  -6.168  -5.116  -7.224
  228    HA   LEU  33           HA       LEU  33  -8.769  -4.508  -8.315
  229    HB2  LEU  33           HB2      LEU  33  -7.879  -4.934  -5.461
  230    HB3  LEU  33           HB3      LEU  33  -9.532  -4.606  -5.937
  231    HG   LEU  33           HG       LEU  33  -7.917  -7.049  -6.659
  232   HD11  LEU  33          HD11      LEU  33 -10.325  -6.678  -4.892
  233   HD12  LEU  33          HD12      LEU  33  -8.676  -7.020  -4.355
  234   HD13  LEU  33          HD13      LEU  33  -9.567  -8.223  -5.287
  235   HD21  LEU  33          HD21      LEU  33  -9.981  -7.887  -7.679
  236   HD22  LEU  33          HD22      LEU  33  -9.397  -6.438  -8.496
  237   HD23  LEU  33          HD23      LEU  33 -10.759  -6.331  -7.376
  238    H    ARG  34           H        ARG  34  -9.907  -2.662  -7.978
  239    HA   ARG  34           HA       ARG  34  -8.162  -0.369  -7.851
  240    HB2  ARG  34           HB2      ARG  34 -11.124  -0.446  -8.422
  241    HB3  ARG  34           HB3      ARG  34 -10.034   0.905  -8.702
  242    HG2  ARG  34           HG2      ARG  34  -8.772  -0.576 -10.293
  243    HG3  ARG  34           HG3      ARG  34 -10.086  -1.740 -10.133
  244    HD2  ARG  34           HD2      ARG  34 -10.460  -0.414 -12.096
  245    HD3  ARG  34           HD3      ARG  34 -11.660   0.037 -10.882
  246    HE   ARG  34           HE       ARG  34  -9.330   1.653 -10.726
  247   HH11  ARG  34          HH11      ARG  34 -12.263   1.294 -12.686
  248   HH12  ARG  34          HH12      ARG  34 -12.346   2.974 -13.023
  249   HH21  ARG  34          HH21      ARG  34  -9.475   3.833 -11.195
  250   HH22  ARG  34          HH22      ARG  34 -10.710   4.474 -12.205
  251    H    PHE  35           H        PHE  35  -7.911   0.924  -6.248
  252    HA   PHE  35           HA       PHE  35  -8.756   0.485  -3.669
  253    HB2  PHE  35           HB2      PHE  35  -7.778   3.020  -4.945
  254    HB3  PHE  35           HB3      PHE  35  -8.176   2.931  -3.234
  255    HD1  PHE  35           HD2      PHE  35  -7.012   0.938  -1.961
  256    HD2  PHE  35           HD1      PHE  35  -5.618   2.640  -5.587
  257    HE1  PHE  35           HE2      PHE  35  -4.754   0.113  -1.466
  258    HE2  PHE  35           HE1      PHE  35  -3.355   1.823  -5.102
  259    HZ   PHE  35           HZ       PHE  35  -2.920   0.561  -3.039
  260    H    GLU  36           H        GLU  36 -10.336   2.506  -6.066
  261    HA   GLU  36           HA       GLU  36 -12.195   3.810  -4.510
  262    HB2  GLU  36           HB2      GLU  36 -13.669   3.843  -6.542
  263    HB3  GLU  36           HB3      GLU  36 -12.026   4.410  -6.795
  264    HG2  GLU  36           HG2      GLU  36 -11.425   2.460  -7.974
  265    HG3  GLU  36           HG3      GLU  36 -12.868   1.602  -7.445
  266    H    ASP  37           H        ASP  37 -12.275   0.490  -5.567
  267    HA   ASP  37           HA       ASP  37 -15.043   0.119  -4.779
  268    HB2  ASP  37           HB2      ASP  37 -14.184  -1.044  -6.755
  269    HB3  ASP  37           HB3      ASP  37 -12.989  -1.871  -5.766
  270    H    ILE  38           H        ILE  38 -11.900  -0.402  -3.444
  271    HA   ILE  38           HA       ILE  38 -13.033  -2.045  -1.317
  272    HB   ILE  38           HB       ILE  38 -10.708  -2.434  -0.538
  273   HG12  ILE  38          HG12      ILE  38  -9.935  -0.846  -3.007
  274   HG13  ILE  38          HG13      ILE  38  -9.701  -0.330  -1.344
  275   HG21  ILE  38          HG21      ILE  38 -11.758  -3.995  -2.056
  276   HG22  ILE  38          HG22      ILE  38 -10.040  -3.865  -2.421
  277   HG23  ILE  38          HG23      ILE  38 -11.222  -3.049  -3.445
  278   HD11  ILE  38          HD11      ILE  38  -7.628  -1.128  -2.318
  279   HD12  ILE  38          HD12      ILE  38  -8.378  -2.683  -2.677
  280   HD13  ILE  38          HD13      ILE  38  -8.135  -2.187  -1.002
  281    H    GLY  39           H        GLY  39 -13.344   0.900  -1.670
  282    HA2  GLY  39           HA2      GLY  39 -13.932   2.548  -0.174
  283    HA3  GLY  39           HA3      GLY  39 -13.496   1.453   1.122
  284    H    TYR  40           H        TYR  40 -11.123   2.212  -1.284
  285    HA   TYR  40           HA       TYR  40  -9.780   3.812   0.737
  286    HB2  TYR  40           HB2      TYR  40  -8.755   2.047  -1.433
  287    HB3  TYR  40           HB3      TYR  40  -7.779   3.435  -0.963
  288    HD1  TYR  40           HD1      TYR  40  -9.585   0.553   0.503
  289    HD2  TYR  40           HD2      TYR  40  -6.262   3.176   0.826
  290    HE1  TYR  40           HE1      TYR  40  -8.720  -0.797   2.345
  291    HE2  TYR  40           HE2      TYR  40  -5.380   1.823   2.693
  292    HH   TYR  40           HH       TYR  40  -6.160   0.204   4.350
  293    H    ASP  41           H        ASP  41 -10.204   5.795   0.581
  294    HA   ASP  41           HA       ASP  41 -10.915   7.141  -1.855
  295    HB2  ASP  41           HB2      ASP  41 -10.147   8.409   0.773
  296    HB3  ASP  41           HB3      ASP  41 -11.117   9.111  -0.509
  297    H    SER  42           H        SER  42  -8.349   7.509   0.523
  298    HA   SER  42           HA       SER  42  -6.163   7.997  -1.184
  299    HB2  SER  42           HB2      SER  42  -6.099  10.511  -0.847
  300    HB3  SER  42           HB3      SER  42  -7.353   9.947  -1.969
  301    H    LEU  43           H        LEU  43  -7.827   9.176   1.693
  302    HA   LEU  43           HA       LEU  43  -5.603   9.820   3.258
  303    HB2  LEU  43           HB2      LEU  43  -8.316   8.893   4.199
  304    HB3  LEU  43           HB3      LEU  43  -7.131   9.735   5.177
  305    HG   LEU  43           HG       LEU  43  -8.543  10.881   2.768
  306   HD11  LEU  43          HD11      LEU  43  -9.684  12.305   4.393
  307   HD12  LEU  43          HD12      LEU  43  -8.886  11.442   5.709
  308   HD13  LEU  43          HD13      LEU  43 -10.035  10.598   4.671
  309   HD21  LEU  43          HD21      LEU  43  -6.302  11.782   3.050
  310   HD22  LEU  43          HD22      LEU  43  -6.651  12.149   4.739
  311   HD23  LEU  43          HD23      LEU  43  -7.523  12.989   3.455
  312    H    ALA  44           H        ALA  44  -7.635   6.904   3.517
  313    HA   ALA  44           HA       ALA  44  -5.898   5.540   5.270
  314    HB1  ALA  44           HB1      ALA  44  -7.201   3.537   4.724
  315    HB2  ALA  44           HB2      ALA  44  -7.914   4.370   3.344
  316    HB3  ALA  44           HB3      ALA  44  -8.262   4.922   4.981
  317    H    LEU  45           H        LEU  45  -5.931   5.937   1.865
  318    HA   LEU  45           HA       LEU  45  -4.264   3.758   1.134
  319    HB2  LEU  45           HB2      LEU  45  -5.835   5.136  -0.338
  320    HB3  LEU  45           HB3      LEU  45  -4.610   6.375  -0.350
  321    HG   LEU  45           HG       LEU  45  -4.265   3.587  -1.482
  322   HD11  LEU  45          HD11      LEU  45  -4.821   6.202  -2.858
  323   HD12  LEU  45          HD12      LEU  45  -5.939   4.848  -2.696
  324   HD13  LEU  45          HD13      LEU  45  -4.470   4.668  -3.657
  325   HD21  LEU  45          HD21      LEU  45  -2.137   4.638  -0.838
  326   HD22  LEU  45          HD22      LEU  45  -2.556   6.060  -1.793
  327   HD23  LEU  45          HD23      LEU  45  -2.291   4.509  -2.589
  328    H    MET  46           H        MET  46  -3.641   7.201   1.791
  329    HA   MET  46           HA       MET  46  -0.835   7.095   1.478
  330    HB2  MET  46           HB2      MET  46  -2.518   8.951   3.166
  331    HB3  MET  46           HB3      MET  46  -0.797   9.165   2.881
  332    HG2  MET  46           HG2      MET  46  -1.227   9.346   0.500
  333    HG3  MET  46           HG3      MET  46  -2.958   9.165   0.818
  334    HE1  MET  46           HE1      MET  46  -3.308  10.860   3.493
  335    HE2  MET  46           HE2      MET  46  -4.417  10.970   2.126
  336    HE3  MET  46           HE3      MET  46  -3.747  12.438   2.840
  337    H    GLU  47           H        GLU  47  -2.945   6.615   4.216
  338    HA   GLU  47           HA       GLU  47  -1.031   6.354   6.236
  339    HB2  GLU  47           HB2      GLU  47  -3.497   6.582   6.451
  340    HB3  GLU  47           HB3      GLU  47  -3.662   4.908   5.981
  341    HG2  GLU  47           HG2      GLU  47  -3.822   5.159   8.419
  342    HG3  GLU  47           HG3      GLU  47  -2.453   4.156   7.944
  343    H    THR  48           H        THR  48  -2.231   4.093   3.877
  344    HA   THR  48           HA       THR  48  -1.069   1.697   4.770
  345    HB   THR  48           HB       THR  48  -1.694   2.731   2.000
  346    HG1  THR  48           HG1      THR  48  -3.487   2.473   3.460
  347   HG21  THR  48          HG21      THR  48  -0.069   0.912   1.827
  348   HG22  THR  48          HG22      THR  48  -1.646   0.376   1.256
  349   HG23  THR  48          HG23      THR  48  -1.074  -0.110   2.856
  350    H    ALA  49           H        ALA  49   0.059   3.959   2.248
  351    HA   ALA  49           HA       ALA  49   2.566   2.812   1.836
  352    HB1  ALA  49           HB1      ALA  49   1.742   5.680   1.410
  353    HB2  ALA  49           HB2      ALA  49   1.499   4.359   0.266
  354    HB3  ALA  49           HB3      ALA  49   3.132   4.877   0.682
  355    H    ALA  50           H        ALA  50   1.601   5.505   3.912
  356    HA   ALA  50           HA       ALA  50   4.056   6.317   4.881
  357    HB1  ALA  50           HB1      ALA  50   2.850   7.301   6.730
  358    HB2  ALA  50           HB2      ALA  50   1.447   6.288   6.377
  359    HB3  ALA  50           HB3      ALA  50   1.958   7.522   5.226
  360    H    ARG  51           H        ARG  51   2.082   3.634   5.925
  361    HA   ARG  51           HA       ARG  51   3.395   3.027   8.352
  362    HB2  ARG  51           HB2      ARG  51   1.217   2.057   7.504
  363    HB3  ARG  51           HB3      ARG  51   2.181   1.057   6.428
  364    HG2  ARG  51           HG2      ARG  51   3.314   0.101   8.391
  365    HG3  ARG  51           HG3      ARG  51   2.242   1.042   9.426
  366    HD2  ARG  51           HD2      ARG  51   0.345  -0.086   8.105
  367    HD3  ARG  51           HD3      ARG  51   1.587  -1.241   7.611
  368    HE   ARG  51           HE       ARG  51   1.359  -0.657  10.421
  369   HH11  ARG  51          HH11      ARG  51   0.806  -3.067   7.836
  370   HH12  ARG  51          HH12      ARG  51   0.199  -4.228   8.937
  371   HH21  ARG  51          HH21      ARG  51   0.612  -2.296  11.854
  372   HH22  ARG  51          HH22      ARG  51   0.067  -3.794  11.222
  373    H    LEU  52           H        LEU  52   3.754   1.839   5.076
  374    HA   LEU  52           HA       LEU  52   5.937   0.145   5.621
  375    HB2  LEU  52           HB2      LEU  52   5.027   1.296   2.982
  376    HB3  LEU  52           HB3      LEU  52   6.131  -0.052   3.186
  377    HG   LEU  52           HG       LEU  52   3.216  -0.023   3.989
  378   HD11  LEU  52          HD11      LEU  52   4.626  -1.518   1.805
  379   HD12  LEU  52          HD12      LEU  52   3.538  -0.141   1.582
  380   HD13  LEU  52          HD13      LEU  52   2.920  -1.663   2.229
  381   HD21  LEU  52          HD21      LEU  52   5.251  -2.245   4.150
  382   HD22  LEU  52          HD22      LEU  52   3.528  -2.402   4.489
  383   HD23  LEU  52          HD23      LEU  52   4.542  -1.384   5.516
  384    H    GLU  53           H        GLU  53   5.647   3.483   4.578
  385    HA   GLU  53           HA       GLU  53   8.329   4.010   4.022
  386    HB2  GLU  53           HB2      GLU  53   6.287   5.815   5.262
  387    HB3  GLU  53           HB3      GLU  53   7.854   6.354   4.674
  388    HG2  GLU  53           HG2      GLU  53   7.185   5.558   2.424
  389    HG3  GLU  53           HG3      GLU  53   5.581   5.217   3.083
  390    H    SER  54           H        SER  54   6.587   4.389   7.056
  391    HA   SER  54           HA       SER  54   8.802   5.208   8.543
  392    HB2  SER  54           HB2      SER  54   6.351   5.452   9.155
  393    HB3  SER  54           HB3      SER  54   6.365   3.748   9.594
  394    HG   SER  54           HG       SER  54   7.819   5.885  10.711
  395    H    ARG  55           H        ARG  55   7.336   2.003   8.111
  396    HA   ARG  55           HA       ARG  55   9.087   0.661   9.865
  397    HB2  ARG  55           HB2      ARG  55   6.847  -0.168   9.211
  398    HB3  ARG  55           HB3      ARG  55   7.478  -0.550   7.618
  399    HG2  ARG  55           HG2      ARG  55   9.051  -2.136   8.625
  400    HG3  ARG  55           HG3      ARG  55   8.399  -1.758  10.219
  401    HD2  ARG  55           HD2      ARG  55   6.175  -2.531   9.437
  402    HD3  ARG  55           HD3      ARG  55   6.920  -3.009   7.910
  403    HE   ARG  55           HE       ARG  55   8.090  -4.094  10.327
  404   HH11  ARG  55          HH11      ARG  55   5.861  -4.664   7.661
  405   HH12  ARG  55          HH12      ARG  55   5.897  -6.356   7.783
  406   HH21  ARG  55          HH21      ARG  55   8.076  -6.419  10.577
  407   HH22  ARG  55          HH22      ARG  55   7.126  -7.364   9.531
  408    H    TYR  56           H        TYR  56   9.232   0.972   6.289
  409    HA   TYR  56           HA       TYR  56  11.693  -0.619   6.363
  410    HB2  TYR  56           HB2      TYR  56   9.873   0.068   4.085
  411    HB3  TYR  56           HB3      TYR  56  11.384  -0.800   3.873
  412    HD1  TYR  56           HD2      TYR  56  11.658  -2.925   5.368
  413    HD2  TYR  56           HD1      TYR  56   7.926  -1.107   4.472
  414    HE1  TYR  56           HE2      TYR  56  10.519  -5.025   5.914
  415    HE2  TYR  56           HE1      TYR  56   6.765  -3.185   5.011
  416    HH   TYR  56           HH       TYR  56   7.373  -5.699   5.087
  417    H    GLY  57           H        GLY  57  10.692   2.625   5.796
  418    HA2  GLY  57           HA2      GLY  57  12.193   4.407   5.659
  419    HA3  GLY  57           HA3      GLY  57  13.466   3.281   5.211
  420    H    VAL  58           H        VAL  58  10.260   3.921   3.863
  421    HA   VAL  58           HA       VAL  58  11.590   4.486   1.330
  422    HB   VAL  58           HB       VAL  58   9.495   3.886   0.104
  423   HG11  VAL  58          HG11      VAL  58  11.276   2.309   0.334
  424   HG12  VAL  58          HG12      VAL  58   9.696   1.500   0.355
  425   HG13  VAL  58          HG13      VAL  58  10.591   1.743   1.863
  426   HG21  VAL  58          HG21      VAL  58   7.883   4.199   1.888
  427   HG22  VAL  58          HG22      VAL  58   8.583   2.839   2.768
  428   HG23  VAL  58          HG23      VAL  58   7.780   2.571   1.220
  429    H    SER  59           H        SER  59   9.955   5.826  -0.192
  430    HA   SER  59           HA       SER  59   8.947   8.063   1.371
  431    HB2  SER  59           HB2      SER  59  10.895   8.309  -0.944
  432    HB3  SER  59           HB3      SER  59  10.216   9.629   0.008
  433    HG   SER  59           HG       SER  59  11.284   8.725   1.846
  434    H    ILE  60           H        ILE  60   6.871   7.938   0.742
  435    HA   ILE  60           HA       ILE  60   6.266   7.826  -2.131
  436    HB   ILE  60           HB       ILE  60   4.576   6.853   0.218
  437   HG12  ILE  60          HG12      ILE  60   4.373   4.748  -1.076
  438   HG13  ILE  60          HG13      ILE  60   5.390   5.429  -2.342
  439   HG21  ILE  60          HG21      ILE  60   3.614   7.271  -2.607
  440   HG22  ILE  60          HG22      ILE  60   3.102   8.166  -1.179
  441   HG23  ILE  60          HG23      ILE  60   2.714   6.452  -1.330
  442   HD11  ILE  60          HD11      ILE  60   6.192   4.800   0.485
  443   HD12  ILE  60          HD12      ILE  60   7.244   5.497  -0.749
  444   HD13  ILE  60          HD13      ILE  60   6.597   3.869  -0.958
  445    HA   PRO  61           HA       PRO  61   5.152  12.081  -1.328
  446    HB2  PRO  61           HB2      PRO  61   4.461  11.981  -4.203
  447    HB3  PRO  61           HB3      PRO  61   5.585  13.054  -3.360
  448    HG2  PRO  61           HG2      PRO  61   6.472  11.112  -4.963
  449    HG3  PRO  61           HG3      PRO  61   7.326  11.528  -3.463
  450    HD2  PRO  61           HD2      PRO  61   5.447   9.260  -4.008
  451    HD3  PRO  61           HD3      PRO  61   6.988   9.255  -3.123
  452    H    ASP  62           H        ASP  62   3.276  13.037  -0.992
  453    HA   ASP  62           HA       ASP  62   0.968  11.583  -0.423
  454    HB2  ASP  62           HB2      ASP  62   1.102  14.548  -0.985
  455    HB3  ASP  62           HB3      ASP  62  -0.163  13.715  -0.095
  456    H    ASP  63           H        ASP  63   1.717  13.549  -3.225
  457    HA   ASP  63           HA       ASP  63  -0.923  13.437  -4.302
  458    HB2  ASP  63           HB2      ASP  63   1.689  14.316  -5.551
  459    HB3  ASP  63           HB3      ASP  63   0.126  14.461  -6.341
  460    H    VAL  64           H        VAL  64   1.881  11.478  -4.553
  461    HA   VAL  64           HA       VAL  64   1.070  10.055  -6.945
  462    HB   VAL  64           HB       VAL  64   3.034   9.248  -4.790
  463   HG11  VAL  64          HG11      VAL  64   2.314   7.381  -6.206
  464   HG12  VAL  64          HG12      VAL  64   3.994   7.789  -6.551
  465   HG13  VAL  64          HG13      VAL  64   2.715   8.305  -7.653
  466   HG21  VAL  64          HG21      VAL  64   3.541  10.690  -7.392
  467   HG22  VAL  64          HG22      VAL  64   4.790  10.090  -6.297
  468   HG23  VAL  64          HG23      VAL  64   3.696  11.368  -5.772
  469    H    ALA  65           H        ALA  65   0.885   9.576  -3.480
  470    HA   ALA  65           HA       ALA  65  -0.319   7.062  -3.498
  471    HB1  ALA  65           HB1      ALA  65   0.577   8.107  -1.480
  472    HB2  ALA  65           HB2      ALA  65  -1.105   7.619  -1.247
  473    HB3  ALA  65           HB3      ALA  65  -0.703   9.318  -1.544
  474    H    GLY  66           H        GLY  66  -1.697  10.265  -3.941
  475    HA2  GLY  66           HA2      GLY  66  -4.413   9.309  -3.959
  476    HA3  GLY  66           HA3      GLY  66  -3.873  10.913  -4.426
  477    H    ARG  67           H        ARG  67  -1.947   9.041  -6.204
  478    HA   ARG  67           HA       ARG  67  -3.768   9.138  -8.503
  479    HB2  ARG  67           HB2      ARG  67  -0.778   9.290  -8.318
  480    HB3  ARG  67           HB3      ARG  67  -1.622   9.056  -9.841
  481    HG2  ARG  67           HG2      ARG  67  -2.706  11.179  -9.645
  482    HG3  ARG  67           HG3      ARG  67  -2.089  11.392  -8.003
  483    HD2  ARG  67           HD2      ARG  67  -0.820  12.671  -9.699
  484    HD3  ARG  67           HD3      ARG  67   0.168  11.510  -8.812
  485    HE   ARG  67           HE       ARG  67  -0.923  10.980 -11.489
  486   HH11  ARG  67          HH11      ARG  67   1.819  11.154  -9.260
  487   HH12  ARG  67          HH12      ARG  67   2.891  10.259 -10.240
  488   HH21  ARG  67          HH21      ARG  67   0.582   9.734 -12.900
  489   HH22  ARG  67          HH22      ARG  67   2.144   9.422 -12.354
  490    H    VAL  68           H        VAL  68  -2.108   6.909  -6.526
  491    HA   VAL  68           HA       VAL  68  -2.039   4.885  -8.557
  492    HB   VAL  68           HB       VAL  68  -1.418   3.313  -6.603
  493   HG11  VAL  68          HG11      VAL  68   0.882   4.175  -6.542
  494   HG12  VAL  68          HG12      VAL  68   0.317   5.708  -7.214
  495   HG13  VAL  68          HG13      VAL  68   0.208   4.231  -8.171
  496   HG21  VAL  68          HG21      VAL  68  -0.584   4.391  -4.588
  497   HG22  VAL  68          HG22      VAL  68  -2.302   4.754  -4.793
  498   HG23  VAL  68          HG23      VAL  68  -1.078   5.962  -5.211
  499    H    ASP  69           H        ASP  69  -3.526   3.650  -9.153
  500    HA   ASP  69           HA       ASP  69  -6.133   3.736  -7.827
  501    HB2  ASP  69           HB2      ASP  69  -5.962   4.352 -10.197
  502    HB3  ASP  69           HB3      ASP  69  -5.274   2.781 -10.560
  503    H    THR  70           H        THR  70  -3.472   1.672  -8.380
  504    HA   THR  70           HA       THR  70  -4.979  -0.664  -7.453
  505    HB   THR  70           HB       THR  70  -3.271  -1.924  -8.938
  506    HG1  THR  70           HG1      THR  70  -2.254  -0.733 -10.453
  507   HG21  THR  70          HG21      THR  70  -5.691  -1.828  -9.405
  508   HG22  THR  70          HG22      THR  70  -4.755  -1.713 -10.895
  509   HG23  THR  70          HG23      THR  70  -5.471  -0.263 -10.188
  510    HA   PRO  71           HA       PRO  71  -1.984  -0.935  -4.164
  511    HB2  PRO  71           HB2      PRO  71  -2.425  -3.865  -4.368
  512    HB3  PRO  71           HB3      PRO  71  -2.612  -2.786  -2.990
  513    HG2  PRO  71           HG2      PRO  71  -4.751  -3.719  -4.256
  514    HG3  PRO  71           HG3      PRO  71  -4.700  -2.057  -3.639
  515    HD2  PRO  71           HD2      PRO  71  -4.357  -3.056  -6.433
  516    HD3  PRO  71           HD3      PRO  71  -5.225  -1.620  -5.848
  517    H    ARG  72           H        ARG  72  -1.719  -3.280  -6.814
  518    HA   ARG  72           HA       ARG  72   0.889  -4.146  -6.469
  519    HB2  ARG  72           HB2      ARG  72  -0.598  -5.063  -8.151
  520    HB3  ARG  72           HB3      ARG  72  -0.585  -3.551  -9.033
  521    HG2  ARG  72           HG2      ARG  72   1.825  -3.882  -9.491
  522    HG3  ARG  72           HG3      ARG  72   1.719  -5.455  -8.687
  523    HD2  ARG  72           HD2      ARG  72   1.494  -5.598 -11.160
  524    HD3  ARG  72           HD3      ARG  72   0.090  -6.222 -10.286
  525    HE   ARG  72           HE       ARG  72   0.076  -3.447 -11.155
  526   HH11  ARG  72          HH11      ARG  72  -1.118  -6.753 -11.776
  527   HH12  ARG  72          HH12      ARG  72  -2.511  -6.247 -12.608
  528   HH21  ARG  72          HH21      ARG  72  -1.808  -2.766 -12.209
  529   HH22  ARG  72          HH22      ARG  72  -2.957  -3.856 -12.873
  530    H    GLU  73           H        GLU  73  -0.286  -1.308  -8.252
  531    HA   GLU  73           HA       GLU  73   2.261  -0.350  -8.963
  532    HB2  GLU  73           HB2      GLU  73  -0.502   0.809  -9.058
  533    HB3  GLU  73           HB3      GLU  73   0.886   1.840  -9.363
  534    HG2  GLU  73           HG2      GLU  73  -0.136   0.995 -11.440
  535    HG3  GLU  73           HG3      GLU  73   1.538   0.500 -11.264
  536    H    LEU  74           H        LEU  74   0.304   0.093  -6.149
  537    HA   LEU  74           HA       LEU  74   1.799   2.265  -5.006
  538    HB2  LEU  74           HB2      LEU  74  -0.554   1.462  -4.334
  539    HB3  LEU  74           HB3      LEU  74   0.224   0.121  -3.537
  540    HG   LEU  74           HG       LEU  74   0.543   3.038  -2.755
  541   HD11  LEU  74          HD11      LEU  74  -1.698   2.237  -2.352
  542   HD12  LEU  74          HD12      LEU  74  -0.835   2.455  -0.831
  543   HD13  LEU  74          HD13      LEU  74  -1.062   0.836  -1.490
  544   HD21  LEU  74          HD21      LEU  74   1.415   0.537  -1.293
  545   HD22  LEU  74          HD22      LEU  74   1.575   2.196  -0.704
  546   HD23  LEU  74          HD23      LEU  74   2.483   1.667  -2.124
  547    H    LEU  75           H        LEU  75   1.852  -1.251  -4.680
  548    HA   LEU  75           HA       LEU  75   3.987  -1.547  -2.905
  549    HB2  LEU  75           HB2      LEU  75   2.433  -3.344  -3.621
  550    HB3  LEU  75           HB3      LEU  75   3.197  -3.356  -5.196
  551    HG   LEU  75           HG       LEU  75   5.311  -4.082  -4.122
  552   HD11  LEU  75          HD11      LEU  75   5.253  -4.882  -1.813
  553   HD12  LEU  75          HD12      LEU  75   3.609  -4.272  -1.645
  554   HD13  LEU  75          HD13      LEU  75   4.943  -3.149  -1.912
  555   HD21  LEU  75          HD21      LEU  75   3.788  -5.720  -5.089
  556   HD22  LEU  75          HD22      LEU  75   2.911  -5.820  -3.564
  557   HD23  LEU  75          HD23      LEU  75   4.583  -6.374  -3.658
  558    H    ASP  76           H        ASP  76   3.890  -1.183  -6.369
  559    HA   ASP  76           HA       ASP  76   6.586  -1.529  -7.000
  560    HB2  ASP  76           HB2      ASP  76   4.802  -1.423  -8.684
  561    HB3  ASP  76           HB3      ASP  76   4.564   0.282  -8.328
  562    H    LEU  77           H        LEU  77   4.864   1.314  -5.837
  563    HA   LEU  77           HA       LEU  77   6.949   3.219  -6.102
  564    HB2  LEU  77           HB2      LEU  77   4.760   3.081  -4.029
  565    HB3  LEU  77           HB3      LEU  77   5.754   4.481  -4.358
  566    HG   LEU  77           HG       LEU  77   3.803   3.252  -6.299
  567   HD11  LEU  77          HD11      LEU  77   3.603   5.720  -4.578
  568   HD12  LEU  77          HD12      LEU  77   2.688   4.226  -4.364
  569   HD13  LEU  77          HD13      LEU  77   2.436   5.217  -5.802
  570   HD21  LEU  77          HD21      LEU  77   5.668   4.405  -7.382
  571   HD22  LEU  77          HD22      LEU  77   5.370   5.830  -6.386
  572   HD23  LEU  77          HD23      LEU  77   4.167   5.313  -7.565
  573    H    ILE  78           H        ILE  78   5.997   1.053  -3.537
  574    HA   ILE  78           HA       ILE  78   7.813   1.809  -1.504
  575    HB   ILE  78           HB       ILE  78   6.713  -0.969  -2.028
  576   HG12  ILE  78          HG12      ILE  78   4.858   0.668  -1.972
  577   HG13  ILE  78          HG13      ILE  78   4.811  -0.417  -0.592
  578   HG21  ILE  78          HG21      ILE  78   6.926  -1.268   0.408
  579   HG22  ILE  78          HG22      ILE  78   7.653   0.333   0.524
  580   HG23  ILE  78          HG23      ILE  78   8.473  -0.943  -0.375
  581   HD11  ILE  78          HD11      ILE  78   5.757   1.341   0.812
  582   HD12  ILE  78          HD12      ILE  78   4.262   1.865   0.033
  583   HD13  ILE  78          HD13      ILE  78   5.822   2.416  -0.584
  584    H    ASN  79           H        ASN  79   7.840  -1.013  -3.631
  585    HA   ASN  79           HA       ASN  79  10.454  -1.837  -3.000
  586    HB2  ASN  79           HB2      ASN  79   8.703  -2.556  -5.349
  587    HB3  ASN  79           HB3      ASN  79  10.232  -3.346  -4.983
  588   HD21  ASN  79          HD21      ASN  79   7.613  -4.492  -5.111
  589   HD22  ASN  79          HD22      ASN  79   7.265  -5.168  -3.546
  590    H    GLY  80           H        GLY  80   9.221   0.320  -5.440
  591    HA2  GLY  80           HA2      GLY  80  11.552   0.463  -7.009
  592    HA3  GLY  80           HA3      GLY  80  10.289   1.685  -6.908
  593    H    ALA  81           H        ALA  81  10.488   2.176  -4.142
  594    HA   ALA  81           HA       ALA  81  12.656   4.009  -4.103
  595    HB1  ALA  81           HB1      ALA  81  10.555   4.432  -2.880
  596    HB2  ALA  81           HB2      ALA  81  11.957   4.495  -1.811
  597    HB3  ALA  81           HB3      ALA  81  10.915   3.076  -1.811
  598    H    LEU  82           H        LEU  82  12.038   0.881  -2.594
  599    HA   LEU  82           HA       LEU  82  14.489   0.853  -1.139
  600    HB2  LEU  82           HB2      LEU  82  12.487  -1.312  -1.723
  601    HB3  LEU  82           HB3      LEU  82  13.922  -1.572  -0.750
  602    HG   LEU  82           HG       LEU  82  11.770   0.432  -0.117
  603   HD11  LEU  82          HD11      LEU  82  10.898  -1.819   0.075
  604   HD12  LEU  82          HD12      LEU  82  11.111  -1.096   1.671
  605   HD13  LEU  82          HD13      LEU  82  12.273  -2.281   1.076
  606   HD21  LEU  82          HD21      LEU  82  14.120  -0.546   1.496
  607   HD22  LEU  82          HD22      LEU  82  12.862   0.549   2.074
  608   HD23  LEU  82          HD23      LEU  82  13.942   1.054   0.774
  609    H    ALA  83           H        ALA  83  13.756   0.149  -4.365
  610    HA   ALA  83           HA       ALA  83  15.644  -1.831  -4.957
  611    HB1  ALA  83           HB1      ALA  83  15.455  -1.118  -7.278
  612    HB2  ALA  83           HB2      ALA  83  14.685   0.383  -6.768
  613    HB3  ALA  83           HB3      ALA  83  13.867  -1.159  -6.510
  614    H    GLU  84           H        GLU  84  16.000   1.623  -4.608
  615    HA   GLU  84           HA       GLU  84  18.885   1.221  -4.933
  616    HB2  GLU  84           HB2      GLU  84  17.945   2.551  -6.805
  617    HB3  GLU  84           HB3      GLU  84  17.368   3.739  -5.647
  618    HG2  GLU  84           HG2      GLU  84  19.573   4.392  -5.087
  619    HG3  GLU  84           HG3      GLU  84  20.269   3.020  -5.950
  620    H    ALA  85           H        ALA  85  16.349   3.022  -3.251
  621    HA   ALA  85           HA       ALA  85  16.127   3.742  -1.176
  622    HB1  ALA  85           HB1      ALA  85  18.517   2.017  -0.525
  623    HB2  ALA  85           HB2      ALA  85  16.843   1.466  -0.578
  624    HB3  ALA  85           HB3      ALA  85  17.344   2.653   0.628
  625    H    ALA  86           H        ALA  86  17.869   5.153  -3.040
  626    HA   ALA  86           HA       ALA  86  19.228   6.819  -1.068
  627    HB1  ALA  86           HB1      ALA  86  20.291   6.077  -3.803
  628    HB2  ALA  86           HB2      ALA  86  20.943   5.527  -2.257
  629    HB3  ALA  86           HB3      ALA  86  21.030   7.234  -2.695
  630    H28  SXA  87          H28A      SXA  87  -8.444  14.450  -1.174
  631   H28A  SXA  87          H28B      SXA  87  -9.683  14.349   0.079
  632    H30  SXA  87          H30A      SXA  87  -7.962  13.949   2.388
  633   H30A  SXA  87          H30B      SXA  87  -9.276  15.126   2.314
  634   H30B  SXA  87          H30C      SXA  87  -7.662  15.626   2.825
  635    H31  SXA  87          H31A      SXA  87  -6.047  14.108   0.800
  636   H31A  SXA  87          H31B      SXA  87  -5.808  15.826   1.115
  637   H31B  SXA  87          H31C      SXA  87  -6.105  15.266  -0.531
  638    H32  SXA  87          H32A      SXA  87  -9.328  16.916   0.583
  639   HO33  SXA  87          H33A      SXA  87  -7.492  17.685  -1.100
  640   HN36  SXA  87          H36A      SXA  87  -7.892  17.211   2.821
  641    H37  SXA  87          H37A      SXA  87  -5.566  18.575   3.038
  642   H37A  SXA  87          H37B      SXA  87  -6.735  19.841   2.666
  643    H38  SXA  87          H38A      SXA  87  -6.932  17.895   4.994
  644   H38A  SXA  87          H38B      SXA  87  -6.249  19.495   5.087
  645   HN41  SXA  87          H41A      SXA  87  -8.652  19.780   2.919
  646    H42  SXA  87          H42A      SXA  87 -11.097  19.695   3.759
  647   H42A  SXA  87          H42B      SXA  87 -10.513  21.070   4.720
  648    H43  SXA  87          H43A      SXA  87  -9.919  22.241   2.699
  649   H43A  SXA  87          H43B      SXA  87 -11.589  21.660   2.479
  650    H2   SXA  87           H2C      SXA  87  -8.713  21.187  -1.336
  651    H2A  SXA  87           H2A      SXA  87  -9.932  22.271  -2.016
  652    H2B  SXA  87           H2B      SXA  87 -10.328  20.574  -1.723
  Start of MODEL   11
    1    H1   MET   1           H1       MET   1  19.442  -2.144  -1.842
    2    H2   MET   1           H2       MET   1  20.482  -2.483  -0.594
    3    H3   MET   1           H3       MET   1  18.785  -2.556  -0.338
    4    HA   MET   1           HA       MET   1  20.403  -4.365  -2.042
    5    HB2  MET   1           HB2      MET   1  18.595  -4.912   0.334
    6    HB3  MET   1           HB3      MET   1  19.526  -6.102  -0.555
    7    HG2  MET   1           HG2      MET   1  20.674  -3.870   1.098
    8    HG3  MET   1           HG3      MET   1  20.481  -5.540   1.628
    9    HE1  MET   1           HE1      MET   1  23.195  -4.007   1.840
   10    HE2  MET   1           HE2      MET   1  24.321  -5.234   1.259
   11    HE3  MET   1           HE3      MET   1  22.980  -5.694   2.306
   12    H    ALA   2           H        ALA   2  18.842  -6.206  -2.726
   13    HA   ALA   2           HA       ALA   2  16.501  -4.984  -3.884
   14    HB1  ALA   2           HB1      ALA   2  16.218  -7.128  -5.057
   15    HB2  ALA   2           HB2      ALA   2  17.553  -7.813  -4.125
   16    HB3  ALA   2           HB3      ALA   2  17.854  -6.503  -5.265
   17    H    THR   3           H        THR   3  15.529  -4.546  -1.898
   18    HA   THR   3           HA       THR   3  14.460  -6.820  -0.405
   19    HB   THR   3           HB       THR   3  14.390  -3.843   0.187
   20    HG1  THR   3           HG1      THR   3  16.214  -5.907   0.825
   21   HG21  THR   3          HG21      THR   3  13.915  -4.587   2.494
   22   HG22  THR   3          HG22      THR   3  13.941  -6.267   1.957
   23   HG23  THR   3          HG23      THR   3  12.682  -5.175   1.377
   24    H    LEU   4           H        LEU   4  12.618  -7.499  -1.408
   25    HA   LEU   4           HA       LEU   4  10.860  -5.483  -2.544
   26    HB2  LEU   4           HB2      LEU   4  10.999  -8.461  -2.952
   27    HB3  LEU   4           HB3      LEU   4   9.907  -7.362  -3.743
   28    HG   LEU   4           HG       LEU   4  12.840  -7.429  -4.039
   29   HD11  LEU   4          HD11      LEU   4  11.744  -9.315  -5.107
   30   HD12  LEU   4          HD12      LEU   4  12.333  -8.196  -6.336
   31   HD13  LEU   4          HD13      LEU   4  10.619  -8.225  -5.920
   32   HD21  LEU   4          HD21      LEU   4  12.030  -5.156  -4.284
   33   HD22  LEU   4          HD22      LEU   4  10.798  -5.692  -5.424
   34   HD23  LEU   4          HD23      LEU   4  12.503  -5.786  -5.860
   35    H    LEU   5           H        LEU   5   8.608  -5.796  -2.159
   36    HA   LEU   5           HA       LEU   5   7.978  -7.358   0.242
   37    HB2  LEU   5           HB2      LEU   5   6.641  -4.804  -0.668
   38    HB3  LEU   5           HB3      LEU   5   6.214  -5.761   0.738
   39    HG   LEU   5           HG       LEU   5   8.744  -4.211   0.335
   40   HD11  LEU   5          HD11      LEU   5   7.885  -2.860   2.204
   41   HD12  LEU   5          HD12      LEU   5   6.408  -3.826   2.211
   42   HD13  LEU   5          HD13      LEU   5   6.801  -2.820   0.814
   43   HD21  LEU   5          HD21      LEU   5   9.274  -4.828   2.650
   44   HD22  LEU   5          HD22      LEU   5   9.178  -6.243   1.601
   45   HD23  LEU   5          HD23      LEU   5   7.849  -5.863   2.696
   46    H    THR   6           H        THR   6   6.172  -8.593   0.079
   47    HA   THR   6           HA       THR   6   5.284  -8.873  -2.661
   48    HB   THR   6           HB       THR   6   4.417 -11.090  -1.871
   49    HG1  THR   6           HG1      THR   6   6.025 -11.250   0.317
   50   HG21  THR   6          HG21      THR   6   6.573 -10.897  -3.029
   51   HG22  THR   6          HG22      THR   6   6.640 -12.152  -1.792
   52   HG23  THR   6          HG23      THR   6   7.379 -10.579  -1.491
   53    H    THR   7           H        THR   7   2.955 -10.078  -2.487
   54    HA   THR   7           HA       THR   7   1.026  -8.160  -2.142
   55    HB   THR   7           HB       THR   7   0.795 -11.166  -1.988
   56    HG1  THR   7           HG1      THR   7   0.559 -10.966  -4.267
   57   HG21  THR   7          HG21      THR   7  -1.293  -9.980  -1.481
   58   HG22  THR   7          HG22      THR   7  -1.391 -10.808  -3.036
   59   HG23  THR   7          HG23      THR   7  -1.138  -9.064  -2.980
   60    H    ASP   8           H        ASP   8   2.312 -10.562   0.065
   61    HA   ASP   8           HA       ASP   8   0.272 -10.470   1.996
   62    HB2  ASP   8           HB2      ASP   8   1.819 -12.351   1.780
   63    HB3  ASP   8           HB3      ASP   8   3.127 -11.330   2.377
   64    H    ASP   9           H        ASP   9   3.446  -8.781   1.903
   65    HA   ASP   9           HA       ASP   9   3.128  -7.654   4.513
   66    HB2  ASP   9           HB2      ASP   9   5.353  -7.730   3.048
   67    HB3  ASP   9           HB3      ASP   9   4.739  -6.196   2.435
   68    H    LEU  10           H        LEU  10   2.544  -6.552   1.294
   69    HA   LEU  10           HA       LEU  10   1.607  -3.984   1.802
   70    HB2  LEU  10           HB2      LEU  10   2.025  -4.849  -0.456
   71    HB3  LEU  10           HB3      LEU  10   0.630  -5.902  -0.309
   72    HG   LEU  10           HG       LEU  10  -0.780  -3.847  -0.018
   73   HD11  LEU  10          HD11      LEU  10   0.122  -1.712  -0.798
   74   HD12  LEU  10          HD12      LEU  10   1.725  -2.442  -0.913
   75   HD13  LEU  10          HD13      LEU  10   0.936  -2.292   0.657
   76   HD21  LEU  10          HD21      LEU  10  -0.820  -3.321  -2.415
   77   HD22  LEU  10          HD22      LEU  10  -0.692  -5.057  -2.131
   78   HD23  LEU  10          HD23      LEU  10   0.732  -4.132  -2.615
   79    H    ARG  11           H        ARG  11  -0.240  -7.022   1.510
   80    HA   ARG  11           HA       ARG  11  -2.791  -6.182   2.085
   81    HB2  ARG  11           HB2      ARG  11  -2.374  -8.485   1.523
   82    HB3  ARG  11           HB3      ARG  11  -1.416  -8.721   2.979
   83    HG2  ARG  11           HG2      ARG  11  -3.479  -8.245   4.316
   84    HG3  ARG  11           HG3      ARG  11  -4.382  -8.243   2.804
   85    HD2  ARG  11           HD2      ARG  11  -4.544 -10.396   3.945
   86    HD3  ARG  11           HD3      ARG  11  -3.725 -10.551   2.394
   87    HE   ARG  11           HE       ARG  11  -1.637 -10.704   3.601
   88   HH11  ARG  11          HH11      ARG  11  -4.551 -11.111   5.683
   89   HH12  ARG  11          HH12      ARG  11  -3.782 -12.185   6.719
   90   HH21  ARG  11          HH21      ARG  11  -0.625 -12.213   5.115
   91   HH22  ARG  11          HH22      ARG  11  -1.540 -12.799   6.438
   92    H    ARG  12           H        ARG  12  -0.410  -7.276   4.434
   93    HA   ARG  12           HA       ARG  12  -1.954  -6.956   6.718
   94    HB2  ARG  12           HB2      ARG  12   1.003  -7.023   6.275
   95    HB3  ARG  12           HB3      ARG  12   0.304  -6.905   7.891
   96    HG2  ARG  12           HG2      ARG  12  -0.644  -9.009   7.784
   97    HG3  ARG  12           HG3      ARG  12  -0.627  -9.032   6.023
   98    HD2  ARG  12           HD2      ARG  12   1.010 -10.559   7.029
   99    HD3  ARG  12           HD3      ARG  12   1.743  -9.338   6.000
  100    HE   ARG  12           HE       ARG  12   1.677  -8.702   8.810
  101   HH11  ARG  12          HH11      ARG  12   3.443 -10.247   6.166
  102   HH12  ARG  12          HH12      ARG  12   4.986 -10.065   6.878
  103   HH21  ARG  12          HH21      ARG  12   3.840  -8.501   9.850
  104   HH22  ARG  12          HH22      ARG  12   5.193  -9.158   9.048
  105    H    ALA  13           H        ALA  13   0.243  -4.621   5.233
  106    HA   ALA  13           HA       ALA  13  -0.246  -2.666   7.274
  107    HB1  ALA  13           HB1      ALA  13   1.008  -1.145   5.848
  108    HB2  ALA  13           HB2      ALA  13   0.920  -2.307   4.523
  109    HB3  ALA  13           HB3      ALA  13   1.844  -2.696   5.976
  110    H    LEU  14           H        LEU  14  -1.536  -3.318   4.032
  111    HA   LEU  14           HA       LEU  14  -2.961  -0.977   3.633
  112    HB2  LEU  14           HB2      LEU  14  -2.386  -2.927   2.068
  113    HB3  LEU  14           HB3      LEU  14  -3.742  -3.767   2.776
  114    HG   LEU  14           HG       LEU  14  -5.217  -1.960   1.941
  115   HD11  LEU  14          HD11      LEU  14  -4.352  -0.478   0.179
  116   HD12  LEU  14          HD12      LEU  14  -2.726  -1.096   0.474
  117   HD13  LEU  14          HD13      LEU  14  -3.563  -0.183   1.729
  118   HD21  LEU  14          HD21      LEU  14  -5.166  -2.713  -0.389
  119   HD22  LEU  14          HD22      LEU  14  -4.982  -4.055   0.741
  120   HD23  LEU  14          HD23      LEU  14  -3.577  -3.426  -0.116
  121    H    VAL  15           H        VAL  15  -3.825  -4.050   5.166
  122    HA   VAL  15           HA       VAL  15  -6.497  -3.530   5.874
  123    HB   VAL  15           HB       VAL  15  -4.443  -5.205   7.384
  124   HG11  VAL  15          HG11      VAL  15  -6.366  -6.337   8.390
  125   HG12  VAL  15          HG12      VAL  15  -7.452  -5.212   7.577
  126   HG13  VAL  15          HG13      VAL  15  -6.333  -4.625   8.808
  127   HG21  VAL  15          HG21      VAL  15  -4.846  -5.972   5.082
  128   HG22  VAL  15          HG22      VAL  15  -6.583  -6.083   5.458
  129   HG23  VAL  15          HG23      VAL  15  -5.431  -7.117   6.289
  130    H    GLU  16           H        GLU  16  -3.596  -3.220   7.957
  131    HA   GLU  16           HA       GLU  16  -5.170  -2.171  10.019
  132    HB2  GLU  16           HB2      GLU  16  -3.079  -1.927  11.331
  133    HB3  GLU  16           HB3      GLU  16  -3.271  -3.499  10.583
  134    HG2  GLU  16           HG2      GLU  16  -1.042  -3.072  10.336
  135    HG3  GLU  16           HG3      GLU  16  -1.714  -2.639   8.772
  136    H    SER  17           H        SER  17  -3.394  -0.522   7.528
  137    HA   SER  17           HA       SER  17  -3.567   2.005   8.810
  138    HB2  SER  17           HB2      SER  17  -3.099   1.247   5.927
  139    HB3  SER  17           HB3      SER  17  -2.967   2.888   6.556
  140    HG   SER  17           HG       SER  17  -1.495   0.785   7.761
  141    H    ALA  18           H        ALA  18  -5.744   0.130   6.842
  142    HA   ALA  18           HA       ALA  18  -7.525   2.311   6.255
  143    HB1  ALA  18           HB1      ALA  18  -7.426   0.324   4.813
  144    HB2  ALA  18           HB2      ALA  18  -9.052   0.593   5.440
  145    HB3  ALA  18           HB3      ALA  18  -8.032  -0.664   6.142
  146    H    GLY  19           H        GLY  19  -6.781   0.736   9.037
  147    HA2  GLY  19           HA2      GLY  19  -7.856   1.323  11.115
  148    HA3  GLY  19           HA3      GLY  19  -9.390   1.402  10.249
  149    H    GLU  20           H        GLU  20  -7.463  -1.137   9.268
  150    HA   GLU  20           HA       GLU  20  -7.338  -3.309   9.512
  151    HB2  GLU  20           HB2      GLU  20  -7.033  -2.885  11.978
  152    HB3  GLU  20           HB3      GLU  20  -8.765  -3.064  12.185
  153    HG2  GLU  20           HG2      GLU  20  -8.647  -5.374  11.490
  154    HG3  GLU  20           HG3      GLU  20  -6.929  -5.208  11.140
  155    H    THR  21           H        THR  21  -9.920  -1.668   8.908
  156    HA   THR  21           HA       THR  21 -11.845  -3.803   8.777
  157    HB   THR  21           HB       THR  21 -12.014  -1.001   7.615
  158    HG1  THR  21           HG1      THR  21 -12.610  -0.326   9.585
  159   HG21  THR  21          HG21      THR  21 -14.439  -1.375   7.815
  160   HG22  THR  21          HG22      THR  21 -14.141  -2.990   8.455
  161   HG23  THR  21          HG23      THR  21 -13.706  -2.612   6.790
  162    H    ASP  22           H        ASP  22 -10.462  -5.175   7.448
  163    HA   ASP  22           HA       ASP  22  -9.744  -4.423   4.809
  164    HB2  ASP  22           HB2      ASP  22  -9.294  -6.831   4.431
  165    HB3  ASP  22           HB3      ASP  22  -8.593  -6.285   5.943
  166    H    GLY  23           H        GLY  23 -12.464  -6.086   6.235
  167    HA2  GLY  23           HA2      GLY  23 -14.664  -6.111   5.636
  168    HA3  GLY  23           HA3      GLY  23 -14.281  -4.954   4.378
  169    H    THR  24           H        THR  24 -13.048  -5.996   2.568
  170    HA   THR  24           HA       THR  24 -14.721  -8.168   1.549
  171    HB   THR  24           HB       THR  24 -14.648  -6.050   0.279
  172    HG1  THR  24           HG1      THR  24 -14.970  -7.365  -1.235
  173   HG21  THR  24          HG21      THR  24 -11.688  -6.582  -0.032
  174   HG22  THR  24          HG22      THR  24 -12.423  -5.263   0.881
  175   HG23  THR  24          HG23      THR  24 -12.595  -5.323  -0.874
  176    H    ASP  25           H        ASP  25 -13.005  -9.028  -0.438
  177    HA   ASP  25           HA       ASP  25 -11.204 -10.753   1.044
  178    HB2  ASP  25           HB2      ASP  25 -11.558 -10.463  -1.964
  179    HB3  ASP  25           HB3      ASP  25 -10.591 -11.673  -1.147
  180    H    LEU  26           H        LEU  26  -9.429  -9.620   1.797
  181    HA   LEU  26           HA       LEU  26  -8.112  -7.982  -0.228
  182    HB2  LEU  26           HB2      LEU  26  -8.950  -6.871   1.912
  183    HB3  LEU  26           HB3      LEU  26  -7.674  -7.748   2.741
  184    HG   LEU  26           HG       LEU  26  -6.011  -6.632   1.270
  185   HD11  LEU  26          HD11      LEU  26  -6.701  -4.677  -0.024
  186   HD12  LEU  26          HD12      LEU  26  -8.390  -5.029   0.351
  187   HD13  LEU  26          HD13      LEU  26  -7.445  -6.159  -0.623
  188   HD21  LEU  26          HD21      LEU  26  -6.473  -5.757   3.473
  189   HD22  LEU  26          HD22      LEU  26  -7.804  -4.787   2.841
  190   HD23  LEU  26          HD23      LEU  26  -6.143  -4.442   2.349
  191    H    SER  27           H        SER  27  -7.999 -10.958   0.743
  192    HA   SER  27           HA       SER  27  -5.099 -10.952   0.508
  193    HB2  SER  27           HB2      SER  27  -5.090 -13.201   1.648
  194    HB3  SER  27           HB3      SER  27  -5.596 -11.877   2.687
  195    HG   SER  27           HG       SER  27  -7.824 -12.597   1.921
  196    H    GLY  28           H        GLY  28  -4.194 -12.163  -1.049
  197    HA2  GLY  28           HA2      GLY  28  -4.255 -13.913  -2.643
  198    HA3  GLY  28           HA3      GLY  28  -6.005 -13.757  -2.702
  199    H    ASP  29           H        ASP  29  -6.864 -12.590  -4.256
  200    HA   ASP  29           HA       ASP  29  -5.020 -11.216  -6.075
  201    HB2  ASP  29           HB2      ASP  29  -7.864 -12.155  -6.525
  202    HB3  ASP  29           HB3      ASP  29  -6.830 -11.402  -7.730
  203    H    PHE  30           H        PHE  30  -4.885  -9.120  -5.626
  204    HA   PHE  30           HA       PHE  30  -7.281  -7.543  -5.764
  205    HB2  PHE  30           HB2      PHE  30  -7.061  -6.355  -3.643
  206    HB3  PHE  30           HB3      PHE  30  -7.298  -8.070  -3.371
  207    HD1  PHE  30           HD2      PHE  30  -5.362  -9.459  -2.634
  208    HD2  PHE  30           HD1      PHE  30  -5.148  -5.221  -2.862
  209    HE1  PHE  30           HE2      PHE  30  -3.396  -9.478  -1.158
  210    HE2  PHE  30           HE1      PHE  30  -3.182  -5.235  -1.388
  211    HZ   PHE  30           HZ       PHE  30  -2.305  -7.363  -0.535
  212    H    LEU  31           H        LEU  31  -3.804  -7.786  -5.917
  213    HA   LEU  31           HA       LEU  31  -2.967  -5.238  -5.902
  214    HB2  LEU  31           HB2      LEU  31  -2.070  -7.680  -7.234
  215    HB3  LEU  31           HB3      LEU  31  -1.454  -6.184  -7.906
  216    HG   LEU  31           HG       LEU  31  -0.594  -5.556  -5.729
  217   HD11  LEU  31          HD11      LEU  31  -0.483  -7.137  -3.890
  218   HD12  LEU  31          HD12      LEU  31  -1.548  -8.224  -4.794
  219   HD13  LEU  31          HD13      LEU  31  -2.127  -6.632  -4.291
  220   HD21  LEU  31          HD21      LEU  31   0.864  -6.721  -7.268
  221   HD22  LEU  31          HD22      LEU  31   0.312  -8.276  -6.642
  222   HD23  LEU  31          HD23      LEU  31   1.237  -7.186  -5.608
  223    H    ASP  32           H        ASP  32  -4.772  -6.663  -8.588
  224    HA   ASP  32           HA       ASP  32  -4.229  -4.188 -10.019
  225    HB2  ASP  32           HB2      ASP  32  -5.250  -6.835 -11.009
  226    HB3  ASP  32           HB3      ASP  32  -5.079  -5.397 -12.007
  227    H    LEU  33           H        LEU  33  -6.359  -5.065  -7.873
  228    HA   LEU  33           HA       LEU  33  -8.754  -4.240  -9.290
  229    HB2  LEU  33           HB2      LEU  33  -8.350  -4.989  -6.395
  230    HB3  LEU  33           HB3      LEU  33  -9.897  -4.668  -7.157
  231    HG   LEU  33           HG       LEU  33  -8.045  -6.969  -7.782
  232   HD11  LEU  33          HD11      LEU  33  -9.838  -8.339  -6.884
  233   HD12  LEU  33          HD12      LEU  33 -10.740  -6.879  -6.472
  234   HD13  LEU  33          HD13      LEU  33  -9.200  -7.219  -5.675
  235   HD21  LEU  33          HD21      LEU  33  -9.832  -7.761  -9.259
  236   HD22  LEU  33          HD22      LEU  33  -9.195  -6.204  -9.796
  237   HD23  LEU  33          HD23      LEU  33 -10.739  -6.280  -8.953
  238    H    ARG  34           H        ARG  34  -9.869  -2.307  -8.781
  239    HA   ARG  34           HA       ARG  34  -8.054  -0.220  -8.008
  240    HB2  ARG  34           HB2      ARG  34 -10.921  -0.085  -8.916
  241    HB3  ARG  34           HB3      ARG  34  -9.970   1.329  -8.486
  242    HG2  ARG  34           HG2      ARG  34  -8.315   0.633 -10.223
  243    HG3  ARG  34           HG3      ARG  34  -9.476  -0.598 -10.730
  244    HD2  ARG  34           HD2      ARG  34 -11.116   1.105 -11.236
  245    HD3  ARG  34           HD3      ARG  34 -10.047   2.358 -10.609
  246    HE   ARG  34           HE       ARG  34  -9.761   0.878 -13.107
  247   HH11  ARG  34          HH11      ARG  34  -8.582   3.438 -10.922
  248   HH12  ARG  34          HH12      ARG  34  -7.534   4.116 -12.053
  249   HH21  ARG  34          HH21      ARG  34  -8.317   1.896 -14.720
  250   HH22  ARG  34          HH22      ARG  34  -7.407   3.248 -14.258
  251    H    PHE  35           H        PHE  35  -8.052   1.071  -6.327
  252    HA   PHE  35           HA       PHE  35  -8.709   0.090  -3.840
  253    HB2  PHE  35           HB2      PHE  35  -8.082   2.893  -4.687
  254    HB3  PHE  35           HB3      PHE  35  -8.378   2.473  -3.002
  255    HD1  PHE  35           HD2      PHE  35  -6.906   0.748  -1.919
  256    HD2  PHE  35           HD1      PHE  35  -5.995   2.519  -5.673
  257    HE1  PHE  35           HE2      PHE  35  -4.559   0.077  -1.654
  258    HE2  PHE  35           HE1      PHE  35  -3.646   1.851  -5.416
  259    HZ   PHE  35           HZ       PHE  35  -2.922   0.632  -3.406
  260    H    GLU  36           H        GLU  36 -10.636   2.379  -5.723
  261    HA   GLU  36           HA       GLU  36 -12.495   2.925  -3.773
  262    HB2  GLU  36           HB2      GLU  36 -14.034   3.200  -5.885
  263    HB3  GLU  36           HB3      GLU  36 -12.832   4.401  -5.437
  264    HG2  GLU  36           HG2      GLU  36 -12.340   2.215  -7.449
  265    HG3  GLU  36           HG3      GLU  36 -13.038   3.776  -7.883
  266    H    ASP  37           H        ASP  37 -12.229   0.092  -5.728
  267    HA   ASP  37           HA       ASP  37 -14.927  -0.719  -5.084
  268    HB2  ASP  37           HB2      ASP  37 -14.024  -1.457  -7.222
  269    HB3  ASP  37           HB3      ASP  37 -12.686  -2.263  -6.409
  270    H    ILE  38           H        ILE  38 -11.719  -1.187  -3.873
  271    HA   ILE  38           HA       ILE  38 -12.703  -3.262  -2.099
  272    HB   ILE  38           HB       ILE  38 -10.370  -3.554  -1.308
  273   HG12  ILE  38          HG12      ILE  38  -9.671  -1.502  -3.434
  274   HG13  ILE  38          HG13      ILE  38  -9.602  -1.221  -1.700
  275   HG21  ILE  38          HG21      ILE  38  -9.495  -4.541  -3.381
  276   HG22  ILE  38          HG22      ILE  38 -10.728  -3.674  -4.297
  277   HG23  ILE  38          HG23      ILE  38 -11.203  -4.909  -3.132
  278   HD11  ILE  38          HD11      ILE  38  -7.859  -2.929  -1.508
  279   HD12  ILE  38          HD12      ILE  38  -7.395  -1.630  -2.602
  280   HD13  ILE  38          HD13      ILE  38  -7.916  -3.183  -3.255
  281    H    GLY  39           H        GLY  39 -13.220  -0.272  -1.970
  282    HA2  GLY  39           HA2      GLY  39 -14.054   1.000  -0.232
  283    HA3  GLY  39           HA3      GLY  39 -13.588  -0.285   0.868
  284    H    TYR  40           H        TYR  40 -11.420   1.496  -1.291
  285    HA   TYR  40           HA       TYR  40 -10.176   2.642   1.107
  286    HB2  TYR  40           HB2      TYR  40  -8.882   1.433  -1.321
  287    HB3  TYR  40           HB3      TYR  40  -8.059   2.646  -0.371
  288    HD1  TYR  40           HD1      TYR  40 -10.009  -0.447   0.229
  289    HD2  TYR  40           HD2      TYR  40  -6.584   1.854   1.189
  290    HE1  TYR  40           HE1      TYR  40  -9.289  -2.193   1.742
  291    HE2  TYR  40           HE2      TYR  40  -5.819   0.110   2.717
  292    HH   TYR  40           HH       TYR  40  -7.309  -2.986   2.815
  293    H    ASP  41           H        ASP  41  -9.964   4.735   1.182
  294    HA   ASP  41           HA       ASP  41 -10.203   6.305  -1.293
  295    HB2  ASP  41           HB2      ASP  41  -9.914   7.327   1.527
  296    HB3  ASP  41           HB3      ASP  41 -10.304   8.258   0.114
  297    H    SER  42           H        SER  42  -8.621   8.235  -1.175
  298    HA   SER  42           HA       SER  42  -6.045   7.226  -1.357
  299    HB2  SER  42           HB2      SER  42  -5.282   9.453  -1.699
  300    HB3  SER  42           HB3      SER  42  -6.856   9.329  -2.484
  301    H    LEU  43           H        LEU  43  -7.722   8.708   1.339
  302    HA   LEU  43           HA       LEU  43  -5.522   9.239   2.987
  303    HB2  LEU  43           HB2      LEU  43  -8.322   8.472   3.792
  304    HB3  LEU  43           HB3      LEU  43  -7.121   9.151   4.870
  305    HG   LEU  43           HG       LEU  43  -8.320  10.528   2.474
  306   HD11  LEU  43          HD11      LEU  43  -8.710  10.995   5.428
  307   HD12  LEU  43          HD12      LEU  43  -9.887  10.308   4.311
  308   HD13  LEU  43          HD13      LEU  43  -9.370  11.983   4.121
  309   HD21  LEU  43          HD21      LEU  43  -7.117  12.498   3.265
  310   HD22  LEU  43          HD22      LEU  43  -6.001  11.198   2.846
  311   HD23  LEU  43          HD23      LEU  43  -6.366  11.538   4.537
  312    H    ALA  44           H        ALA  44  -7.557   6.329   2.933
  313    HA   ALA  44           HA       ALA  44  -6.098   4.895   4.897
  314    HB1  ALA  44           HB1      ALA  44  -7.211   2.896   4.012
  315    HB2  ALA  44           HB2      ALA  44  -7.732   3.809   2.596
  316    HB3  ALA  44           HB3      ALA  44  -8.351   4.230   4.192
  317    H    LEU  45           H        LEU  45  -5.870   5.203   1.482
  318    HA   LEU  45           HA       LEU  45  -3.977   3.220   0.876
  319    HB2  LEU  45           HB2      LEU  45  -5.662   4.593  -0.480
  320    HB3  LEU  45           HB3      LEU  45  -4.443   5.819  -0.571
  321    HG   LEU  45           HG       LEU  45  -4.403   3.048  -1.735
  322   HD11  LEU  45          HD11      LEU  45  -4.469   5.775  -2.975
  323   HD12  LEU  45          HD12      LEU  45  -5.789   4.603  -2.852
  324   HD13  LEU  45          HD13      LEU  45  -4.380   4.233  -3.848
  325   HD21  LEU  45          HD21      LEU  45  -2.238   5.144  -1.889
  326   HD22  LEU  45          HD22      LEU  45  -2.274   3.610  -2.767
  327   HD23  LEU  45          HD23      LEU  45  -2.140   3.619  -1.007
  328    H    MET  46           H        MET  46  -3.671   6.734   1.412
  329    HA   MET  46           HA       MET  46  -0.887   7.024   1.175
  330    HB2  MET  46           HB2      MET  46  -2.859   8.612   2.830
  331    HB3  MET  46           HB3      MET  46  -1.188   9.074   2.592
  332    HG2  MET  46           HG2      MET  46  -1.582   9.390   0.227
  333    HG3  MET  46           HG3      MET  46  -3.233   8.789   0.414
  334    HE1  MET  46           HE1      MET  46  -4.213  10.991  -0.761
  335    HE2  MET  46           HE2      MET  46  -2.575  11.607  -0.969
  336    HE3  MET  46           HE3      MET  46  -3.812  12.627  -0.239
  337    H    GLU  47           H        GLU  47  -2.958   6.398   3.945
  338    HA   GLU  47           HA       GLU  47  -1.007   6.495   5.959
  339    HB2  GLU  47           HB2      GLU  47  -3.538   6.464   6.173
  340    HB3  GLU  47           HB3      GLU  47  -3.455   4.728   5.939
  341    HG2  GLU  47           HG2      GLU  47  -3.649   5.278   8.292
  342    HG3  GLU  47           HG3      GLU  47  -2.101   4.504   7.952
  343    H    THR  48           H        THR  48  -2.117   3.904   3.879
  344    HA   THR  48           HA       THR  48  -0.726   1.711   4.935
  345    HB   THR  48           HB       THR  48  -1.534   2.417   2.108
  346    HG1  THR  48           HG1      THR  48  -3.289   2.199   3.542
  347   HG21  THR  48          HG21      THR  48  -0.638  -0.256   3.214
  348   HG22  THR  48          HG22      THR  48   0.185   0.725   1.980
  349   HG23  THR  48          HG23      THR  48  -1.390  -0.001   1.636
  350    H    ALA  49           H        ALA  49   0.104   3.848   2.216
  351    HA   ALA  49           HA       ALA  49   2.687   2.935   1.725
  352    HB1  ALA  49           HB1      ALA  49   1.424   4.408   0.220
  353    HB2  ALA  49           HB2      ALA  49   3.034   5.037   0.560
  354    HB3  ALA  49           HB3      ALA  49   1.623   5.732   1.364
  355    H    ALA  50           H        ALA  50   1.533   5.545   3.796
  356    HA   ALA  50           HA       ALA  50   3.925   6.599   4.664
  357    HB1  ALA  50           HB1      ALA  50   1.742   7.642   5.028
  358    HB2  ALA  50           HB2      ALA  50   2.687   7.545   6.512
  359    HB3  ALA  50           HB3      ALA  50   1.363   6.412   6.233
  360    H    ARG  51           H        ARG  51   2.125   3.858   5.993
  361    HA   ARG  51           HA       ARG  51   3.797   3.526   8.237
  362    HB2  ARG  51           HB2      ARG  51   1.637   2.360   8.123
  363    HB3  ARG  51           HB3      ARG  51   2.244   1.367   6.792
  364    HG2  ARG  51           HG2      ARG  51   4.076   0.607   8.293
  365    HG3  ARG  51           HG3      ARG  51   3.271   1.449   9.607
  366    HD2  ARG  51           HD2      ARG  51   1.350   0.016   9.378
  367    HD3  ARG  51           HD3      ARG  51   2.082  -0.776   7.973
  368    HE   ARG  51           HE       ARG  51   3.795  -0.832  10.235
  369   HH11  ARG  51          HH11      ARG  51   1.075  -2.472   8.744
  370   HH12  ARG  51          HH12      ARG  51   1.277  -3.949   9.571
  371   HH21  ARG  51          HH21      ARG  51   4.128  -2.866  11.425
  372   HH22  ARG  51          HH22      ARG  51   3.041  -4.138  11.191
  373    H    LEU  52           H        LEU  52   3.836   2.005   5.030
  374    HA   LEU  52           HA       LEU  52   6.094   0.409   5.612
  375    HB2  LEU  52           HB2      LEU  52   5.128   1.217   2.829
  376    HB3  LEU  52           HB3      LEU  52   6.168  -0.143   3.225
  377    HG   LEU  52           HG       LEU  52   3.303   0.063   4.076
  378   HD11  LEU  52          HD11      LEU  52   3.540  -0.226   1.650
  379   HD12  LEU  52          HD12      LEU  52   2.940  -1.694   2.415
  380   HD13  LEU  52          HD13      LEU  52   4.631  -1.584   1.928
  381   HD21  LEU  52          HD21      LEU  52   5.321  -2.175   4.278
  382   HD22  LEU  52          HD22      LEU  52   3.618  -2.276   4.727
  383   HD23  LEU  52          HD23      LEU  52   4.708  -1.214   5.622
  384    H    GLU  53           H        GLU  53   5.743   3.692   4.470
  385    HA   GLU  53           HA       GLU  53   8.367   4.263   3.687
  386    HB2  GLU  53           HB2      GLU  53   6.578   6.025   5.323
  387    HB3  GLU  53           HB3      GLU  53   8.018   6.550   4.484
  388    HG2  GLU  53           HG2      GLU  53   6.895   6.004   2.353
  389    HG3  GLU  53           HG3      GLU  53   5.436   5.615   3.272
  390    H    SER  54           H        SER  54   6.907   4.709   6.885
  391    HA   SER  54           HA       SER  54   9.241   5.444   8.234
  392    HB2  SER  54           HB2      SER  54   6.813   4.080   9.397
  393    HB3  SER  54           HB3      SER  54   7.911   5.205  10.202
  394    HG   SER  54           HG       SER  54   5.701   5.734   8.921
  395    H    ARG  55           H        ARG  55   7.597   2.388   7.838
  396    HA   ARG  55           HA       ARG  55   9.093   0.855   9.645
  397    HB2  ARG  55           HB2      ARG  55   6.826   0.365   8.820
  398    HB3  ARG  55           HB3      ARG  55   7.498  -0.025   7.253
  399    HG2  ARG  55           HG2      ARG  55   8.684  -1.904   8.206
  400    HG3  ARG  55           HG3      ARG  55   8.080  -1.482   9.817
  401    HD2  ARG  55           HD2      ARG  55   5.777  -1.749   8.991
  402    HD3  ARG  55           HD3      ARG  55   6.417  -2.243   7.424
  403    HE   ARG  55           HE       ARG  55   7.165  -3.733   9.812
  404   HH11  ARG  55          HH11      ARG  55   5.390  -3.643   6.724
  405   HH12  ARG  55          HH12      ARG  55   5.218  -5.317   6.630
  406   HH21  ARG  55          HH21      ARG  55   6.791  -6.020   9.714
  407   HH22  ARG  55          HH22      ARG  55   5.943  -6.693   8.373
  408    H    TYR  56           H        TYR  56   9.519   1.418   6.154
  409    HA   TYR  56           HA       TYR  56  11.849  -0.360   6.285
  410    HB2  TYR  56           HB2      TYR  56  10.119   0.330   3.927
  411    HB3  TYR  56           HB3      TYR  56  11.633  -0.559   3.811
  412    HD1  TYR  56           HD2      TYR  56  11.829  -2.796   4.842
  413    HD2  TYR  56           HD1      TYR  56   8.119  -0.728   4.700
  414    HE1  TYR  56           HE2      TYR  56  10.650  -4.891   5.338
  415    HE2  TYR  56           HE1      TYR  56   6.926  -2.810   5.191
  416    HH   TYR  56           HH       TYR  56   7.224  -5.153   5.073
  417    H    GLY  57           H        GLY  57  11.120   2.920   5.990
  418    HA2  GLY  57           HA2      GLY  57  12.690   4.622   5.888
  419    HA3  GLY  57           HA3      GLY  57  13.899   3.455   5.366
  420    H    VAL  58           H        VAL  58  10.771   4.563   4.132
  421    HA   VAL  58           HA       VAL  58  12.085   5.309   1.634
  422    HB   VAL  58           HB       VAL  58  10.426   4.335   0.179
  423   HG11  VAL  58          HG11      VAL  58  10.706   1.959   0.512
  424   HG12  VAL  58          HG12      VAL  58  11.260   2.280   2.157
  425   HG13  VAL  58          HG13      VAL  58  12.215   2.850   0.778
  426   HG21  VAL  58          HG21      VAL  58   8.577   2.921   0.954
  427   HG22  VAL  58          HG22      VAL  58   8.427   4.578   1.543
  428   HG23  VAL  58          HG23      VAL  58   8.992   3.305   2.625
  429    H    SER  59           H        SER  59  10.350   6.505   0.181
  430    HA   SER  59           HA       SER  59   8.472   7.923   1.851
  431    HB2  SER  59           HB2      SER  59  10.557   9.302   1.810
  432    HB3  SER  59           HB3      SER  59  10.457   9.354   0.053
  433    HG   SER  59           HG       SER  59   8.254  10.189   1.608
  434    H    ILE  60           H        ILE  60   6.654   7.971   0.936
  435    HA   ILE  60           HA       ILE  60   6.373   7.742  -1.989
  436    HB   ILE  60           HB       ILE  60   4.374   6.851   0.128
  437   HG12  ILE  60          HG12      ILE  60   6.302   5.344   0.176
  438   HG13  ILE  60          HG13      ILE  60   4.898   4.522  -0.492
  439   HG21  ILE  60          HG21      ILE  60   3.325   7.536  -1.945
  440   HG22  ILE  60          HG22      ILE  60   3.183   5.789  -1.741
  441   HG23  ILE  60          HG23      ILE  60   4.374   6.453  -2.861
  442   HD11  ILE  60          HD11      ILE  60   6.933   3.955  -1.710
  443   HD12  ILE  60          HD12      ILE  60   7.211   5.662  -2.059
  444   HD13  ILE  60          HD13      ILE  60   5.811   4.838  -2.748
  445    HA   PRO  61           HA       PRO  61   5.053  11.956  -1.007
  446    HB2  PRO  61           HB2      PRO  61   4.407  11.849  -3.911
  447    HB3  PRO  61           HB3      PRO  61   5.309  13.070  -3.001
  448    HG2  PRO  61           HG2      PRO  61   6.607  11.351  -4.543
  449    HG3  PRO  61           HG3      PRO  61   7.252  11.788  -2.949
  450    HD2  PRO  61           HD2      PRO  61   5.792   9.310  -3.790
  451    HD3  PRO  61           HD3      PRO  61   7.198   9.478  -2.719
  452    H    ASP  62           H        ASP  62   3.170  12.924  -0.697
  453    HA   ASP  62           HA       ASP  62   0.839  11.562  -0.164
  454    HB2  ASP  62           HB2      ASP  62   1.479  13.753   0.757
  455    HB3  ASP  62           HB3      ASP  62   1.185  14.496  -0.805
  456    H    ASP  63           H        ASP  63   1.584  13.565  -2.965
  457    HA   ASP  63           HA       ASP  63  -0.999  13.193  -4.171
  458    HB2  ASP  63           HB2      ASP  63   1.529  14.319  -5.366
  459    HB3  ASP  63           HB3      ASP  63  -0.042  14.321  -6.158
  460    H    VAL  64           H        VAL  64   1.797  11.359  -4.139
  461    HA   VAL  64           HA       VAL  64   1.141   9.875  -6.580
  462    HB   VAL  64           HB       VAL  64   3.175   9.275  -4.400
  463   HG11  VAL  64          HG11      VAL  64   4.171   7.759  -6.061
  464   HG12  VAL  64          HG12      VAL  64   2.869   8.143  -7.188
  465   HG13  VAL  64          HG13      VAL  64   2.510   7.296  -5.687
  466   HG21  VAL  64          HG21      VAL  64   3.560  10.569  -7.099
  467   HG22  VAL  64          HG22      VAL  64   4.851  10.116  -5.980
  468   HG23  VAL  64          HG23      VAL  64   3.689  11.363  -5.529
  469    H    ALA  65           H        ALA  65   1.340   9.171  -3.140
  470    HA   ALA  65           HA       ALA  65   0.090   6.690  -3.186
  471    HB1  ALA  65           HB1      ALA  65   1.322   7.564  -1.254
  472    HB2  ALA  65           HB2      ALA  65  -0.288   7.007  -0.802
  473    HB3  ALA  65           HB3      ALA  65   0.033   8.733  -0.967
  474    H    GLY  66           H        GLY  66  -1.345   9.921  -2.940
  475    HA2  GLY  66           HA2      GLY  66  -3.992   8.734  -2.776
  476    HA3  GLY  66           HA3      GLY  66  -3.605  10.443  -2.668
  477    H    ARG  67           H        ARG  67  -2.357   8.479  -5.235
  478    HA   ARG  67           HA       ARG  67  -4.388   9.543  -7.081
  479    HB2  ARG  67           HB2      ARG  67  -2.497  11.068  -7.037
  480    HB3  ARG  67           HB3      ARG  67  -1.412   9.750  -7.411
  481    HG2  ARG  67           HG2      ARG  67  -2.472   9.525  -9.603
  482    HG3  ARG  67           HG3      ARG  67  -3.531  10.891  -9.204
  483    HD2  ARG  67           HD2      ARG  67  -1.610  12.317  -8.898
  484    HD3  ARG  67           HD3      ARG  67  -0.527  10.968  -9.226
  485    HE   ARG  67           HE       ARG  67  -2.305  11.331 -11.362
  486   HH11  ARG  67          HH11      ARG  67   0.518  12.844  -9.840
  487   HH12  ARG  67          HH12      ARG  67   1.117  13.538 -11.273
  488   HH21  ARG  67          HH21      ARG  67  -1.444  12.295 -13.376
  489   HH22  ARG  67          HH22      ARG  67  -0.055  13.284 -13.267
  490    H    VAL  68           H        VAL  68  -2.457   6.971  -6.034
  491    HA   VAL  68           HA       VAL  68  -2.266   5.702  -8.554
  492    HB   VAL  68           HB       VAL  68  -1.570   3.636  -7.120
  493   HG11  VAL  68          HG11      VAL  68   0.679   4.570  -6.815
  494   HG12  VAL  68          HG12      VAL  68   0.034   6.200  -7.020
  495   HG13  VAL  68          HG13      VAL  68  -0.001   5.060  -8.367
  496   HG21  VAL  68          HG21      VAL  68  -1.373   5.839  -5.091
  497   HG22  VAL  68          HG22      VAL  68  -0.779   4.190  -4.885
  498   HG23  VAL  68          HG23      VAL  68  -2.520   4.498  -5.002
  499    H    ASP  69           H        ASP  69  -3.186   3.898  -9.226
  500    HA   ASP  69           HA       ASP  69  -6.058   3.977  -8.824
  501    HB2  ASP  69           HB2      ASP  69  -4.387   2.512 -10.879
  502    HB3  ASP  69           HB3      ASP  69  -6.133   2.665 -10.895
  503    H    THR  70           H        THR  70  -3.418   1.595  -8.733
  504    HA   THR  70           HA       THR  70  -5.236  -0.267  -7.410
  505    HB   THR  70           HB       THR  70  -4.051  -2.074  -8.749
  506    HG1  THR  70           HG1      THR  70  -3.447  -0.699 -10.910
  507   HG21  THR  70          HG21      THR  70  -5.456  -1.744 -10.751
  508   HG22  THR  70          HG22      THR  70  -5.725  -0.066 -10.282
  509   HG23  THR  70          HG23      THR  70  -6.349  -1.375  -9.274
  510    HA   PRO  71           HA       PRO  71  -2.020  -1.034  -4.360
  511    HB2  PRO  71           HB2      PRO  71  -2.544  -3.924  -4.942
  512    HB3  PRO  71           HB3      PRO  71  -2.493  -3.087  -3.392
  513    HG2  PRO  71           HG2      PRO  71  -4.826  -3.741  -4.445
  514    HG3  PRO  71           HG3      PRO  71  -4.611  -2.169  -3.654
  515    HD2  PRO  71           HD2      PRO  71  -4.729  -2.829  -6.563
  516    HD3  PRO  71           HD3      PRO  71  -5.384  -1.426  -5.699
  517    H    ARG  72           H        ARG  72  -2.024  -2.779  -7.366
  518    HA   ARG  72           HA       ARG  72   0.470  -3.856  -7.750
  519    HB2  ARG  72           HB2      ARG  72  -1.251  -3.982  -9.394
  520    HB3  ARG  72           HB3      ARG  72  -1.368  -2.244  -9.516
  521    HG2  ARG  72           HG2      ARG  72  -0.349  -3.057 -11.511
  522    HG3  ARG  72           HG3      ARG  72   0.927  -2.290 -10.567
  523    HD2  ARG  72           HD2      ARG  72   1.658  -4.395 -11.536
  524    HD3  ARG  72           HD3      ARG  72   1.650  -4.460  -9.772
  525    HE   ARG  72           HE       ARG  72  -0.767  -5.401 -11.022
  526   HH11  ARG  72          HH11      ARG  72   2.513  -6.384 -10.076
  527   HH12  ARG  72          HH12      ARG  72   2.084  -7.978  -9.676
  528   HH21  ARG  72          HH21      ARG  72  -1.359  -7.595 -10.544
  529   HH22  ARG  72          HH22      ARG  72  -0.182  -8.678  -9.931
  530    H    GLU  73           H        GLU  73  -0.513  -0.569  -8.450
  531    HA   GLU  73           HA       GLU  73   1.991   0.433  -9.201
  532    HB2  GLU  73           HB2      GLU  73  -0.450   1.883  -8.212
  533    HB3  GLU  73           HB3      GLU  73   0.878   2.584  -9.129
  534    HG2  GLU  73           HG2      GLU  73  -0.978   0.425 -10.117
  535    HG3  GLU  73           HG3      GLU  73  -1.073   2.136 -10.526
  536    H    LEU  74           H        LEU  74   0.197   0.499  -6.195
  537    HA   LEU  74           HA       LEU  74   1.908   2.311  -4.833
  538    HB2  LEU  74           HB2      LEU  74  -0.528   1.700  -4.282
  539    HB3  LEU  74           HB3      LEU  74   0.122   0.242  -3.563
  540    HG   LEU  74           HG       LEU  74  -0.503   2.067  -1.945
  541   HD11  LEU  74          HD11      LEU  74   0.984   0.291  -1.239
  542   HD12  LEU  74          HD12      LEU  74   1.444   1.827  -0.504
  543   HD13  LEU  74          HD13      LEU  74   2.370   1.185  -1.862
  544   HD21  LEU  74          HD21      LEU  74   0.253   3.974  -3.232
  545   HD22  LEU  74          HD22      LEU  74   1.924   3.427  -3.104
  546   HD23  LEU  74          HD23      LEU  74   1.050   3.939  -1.661
  547    H    LEU  75           H        LEU  75   1.630  -1.220  -4.813
  548    HA   LEU  75           HA       LEU  75   3.640  -1.762  -2.962
  549    HB2  LEU  75           HB2      LEU  75   1.993  -3.399  -3.715
  550    HB3  LEU  75           HB3      LEU  75   2.710  -3.437  -5.308
  551    HG   LEU  75           HG       LEU  75   4.774  -4.393  -4.317
  552   HD11  LEU  75          HD11      LEU  75   4.734  -5.204  -2.009
  553   HD12  LEU  75          HD12      LEU  75   3.158  -4.452  -1.769
  554   HD13  LEU  75          HD13      LEU  75   4.577  -3.448  -2.075
  555   HD21  LEU  75          HD21      LEU  75   3.833  -6.604  -3.832
  556   HD22  LEU  75          HD22      LEU  75   3.048  -5.851  -5.225
  557   HD23  LEU  75          HD23      LEU  75   2.235  -5.876  -3.662
  558    H    ASP  76           H        ASP  76   3.766  -1.334  -6.460
  559    HA   ASP  76           HA       ASP  76   6.504  -1.976  -6.724
  560    HB2  ASP  76           HB2      ASP  76   4.967  -2.040  -8.634
  561    HB3  ASP  76           HB3      ASP  76   4.790  -0.289  -8.550
  562    H    LEU  77           H        LEU  77   4.829   1.035  -6.068
  563    HA   LEU  77           HA       LEU  77   6.952   2.858  -6.308
  564    HB2  LEU  77           HB2      LEU  77   4.672   2.794  -4.336
  565    HB3  LEU  77           HB3      LEU  77   5.755   4.151  -4.529
  566    HG   LEU  77           HG       LEU  77   3.968   3.109  -6.713
  567   HD11  LEU  77          HD11      LEU  77   2.530   5.011  -6.163
  568   HD12  LEU  77          HD12      LEU  77   3.575   5.405  -4.798
  569   HD13  LEU  77          HD13      LEU  77   2.662   3.899  -4.801
  570   HD21  LEU  77          HD21      LEU  77   5.513   5.681  -6.377
  571   HD22  LEU  77          HD22      LEU  77   4.444   5.286  -7.723
  572   HD23  LEU  77          HD23      LEU  77   5.928   4.362  -7.472
  573    H    ILE  78           H        ILE  78   5.828   0.977  -3.565
  574    HA   ILE  78           HA       ILE  78   7.736   1.762  -1.652
  575    HB   ILE  78           HB       ILE  78   6.428  -0.969  -1.891
  576   HG12  ILE  78          HG12      ILE  78   4.736   0.853  -1.889
  577   HG13  ILE  78          HG13      ILE  78   4.642  -0.150  -0.451
  578   HG21  ILE  78          HG21      ILE  78   8.271  -0.934  -0.317
  579   HG22  ILE  78          HG22      ILE  78   6.741  -1.078   0.546
  580   HG23  ILE  78          HG23      ILE  78   7.583   0.471   0.497
  581   HD11  ILE  78          HD11      ILE  78   4.332   2.198   0.077
  582   HD12  ILE  78          HD12      ILE  78   5.899   2.581  -0.635
  583   HD13  ILE  78          HD13      ILE  78   5.811   1.584   0.818
  584    H    ASN  79           H        ASN  79   7.637  -1.073  -3.797
  585    HA   ASN  79           HA       ASN  79  10.117  -2.151  -2.968
  586    HB2  ASN  79           HB2      ASN  79   8.520  -2.648  -5.485
  587    HB3  ASN  79           HB3      ASN  79  10.028  -3.481  -5.147
  588   HD21  ASN  79          HD21      ASN  79   7.603  -2.689  -2.707
  589   HD22  ASN  79          HD22      ASN  79   7.110  -4.321  -2.425
  590    H    GLY  80           H        GLY  80   9.300   0.041  -5.582
  591    HA2  GLY  80           HA2      GLY  80  11.805   0.088  -6.853
  592    HA3  GLY  80           HA3      GLY  80  10.594   1.360  -6.920
  593    H    ALA  81           H        ALA  81  10.482   2.019  -4.221
  594    HA   ALA  81           HA       ALA  81  12.719   3.753  -4.009
  595    HB1  ALA  81           HB1      ALA  81  10.499   4.342  -3.125
  596    HB2  ALA  81           HB2      ALA  81  11.739   4.428  -1.872
  597    HB3  ALA  81           HB3      ALA  81  10.644   3.048  -1.932
  598    H    LEU  82           H        LEU  82  11.782   0.761  -2.445
  599    HA   LEU  82           HA       LEU  82  13.850   0.541  -0.573
  600    HB2  LEU  82           HB2      LEU  82  12.264  -1.556  -2.035
  601    HB3  LEU  82           HB3      LEU  82  13.424  -1.945  -0.786
  602    HG   LEU  82           HG       LEU  82  11.006  -0.196  -0.336
  603   HD11  LEU  82          HD11      LEU  82  11.438  -3.115   0.310
  604   HD12  LEU  82          HD12      LEU  82  10.339  -2.484  -0.916
  605   HD13  LEU  82          HD13      LEU  82  10.046  -2.142   0.789
  606   HD21  LEU  82          HD21      LEU  82  11.509  -0.582   1.993
  607   HD22  LEU  82          HD22      LEU  82  12.878   0.184   1.181
  608   HD23  LEU  82          HD23      LEU  82  12.923  -1.541   1.555
  609    H    ALA  83           H        ALA  83  13.602  -0.866  -3.820
  610    HA   ALA  83           HA       ALA  83  16.150  -2.030  -3.841
  611    HB1  ALA  83           HB1      ALA  83  14.338  -2.701  -5.348
  612    HB2  ALA  83           HB2      ALA  83  15.815  -2.315  -6.232
  613    HB3  ALA  83           HB3      ALA  83  14.480  -1.163  -6.197
  614    H    GLU  84           H        GLU  84  15.043   1.102  -5.089
  615    HA   GLU  84           HA       GLU  84  17.789   2.035  -4.973
  616    HB2  GLU  84           HB2      GLU  84  17.539   1.193  -7.259
  617    HB3  GLU  84           HB3      GLU  84  16.092   2.158  -7.475
  618    HG2  GLU  84           HG2      GLU  84  17.472   4.193  -7.218
  619    HG3  GLU  84           HG3      GLU  84  18.905   3.167  -7.128
  620    H    ALA  85           H        ALA  85  14.879   3.314  -6.539
  621    HA   ALA  85           HA       ALA  85  14.018   5.045  -4.546
  622    HB1  ALA  85           HB1      ALA  85  15.750   6.319  -6.689
  623    HB2  ALA  85           HB2      ALA  85  16.118   6.258  -4.964
  624    HB3  ALA  85           HB3      ALA  85  14.741   7.196  -5.538
  625    H    ALA  86           H        ALA  86  12.326   6.468  -5.488
  626    HA   ALA  86           HA       ALA  86  11.341   5.344  -7.999
  627    HB1  ALA  86           HB1      ALA  86   9.094   6.004  -7.222
  628    HB2  ALA  86           HB2      ALA  86   9.797   6.638  -5.733
  629    HB3  ALA  86           HB3      ALA  86   9.866   4.909  -6.073
  630    H28  SXA  87          H28A      SXA  87 -10.872   9.542  -1.131
  631   H28A  SXA  87          H28B      SXA  87 -10.787  11.153  -1.838
  632    H30  SXA  87          H30A      SXA  87 -10.488   9.925  -5.353
  633   H30A  SXA  87          H30B      SXA  87  -9.114  10.171  -4.268
  634   H30B  SXA  87          H30C      SXA  87 -10.433  11.344  -4.308
  635    H31  SXA  87          H31A      SXA  87  -9.498   7.935  -3.263
  636   H31A  SXA  87          H31B      SXA  87 -10.895   7.659  -4.306
  637   H31B  SXA  87          H31C      SXA  87 -11.064   7.538  -2.557
  638    H32  SXA  87          H32A      SXA  87 -13.002   9.282  -2.642
  639   HO33  SXA  87          H33A      SXA  87 -13.431   9.691  -5.113
  640   HN36  SXA  87          H36A      SXA  87 -12.150  11.742  -1.954
  641    H37  SXA  87          H37A      SXA  87 -12.141  14.099  -2.773
  642   H37A  SXA  87          H37B      SXA  87 -13.473  13.621  -3.798
  643    H38  SXA  87          H38A      SXA  87 -14.428  14.867  -2.113
  644   H38A  SXA  87          H38B      SXA  87 -14.857  13.184  -1.740
  645   HN41  SXA  87          H41A      SXA  87 -11.623  13.847  -0.981
  646    H42  SXA  87          H42A      SXA  87 -10.922  15.185   0.977
  647   H42A  SXA  87          H42B      SXA  87 -12.274  14.425   1.818
  648    H43  SXA  87          H43A      SXA  87 -10.203  13.285   2.388
  649   H43A  SXA  87          H43B      SXA  87  -9.883  12.996   0.671
  650    H2   SXA  87           H2C      SXA  87 -14.433  11.269   2.102
  651    H2A  SXA  87           H2A      SXA  87 -14.397  11.487   3.856
  652    H2B  SXA  87           H2B      SXA  87 -13.514  10.144   3.114
  Start of MODEL   12
    1    H1   MET   1           H1       MET   1  20.561  -5.897   2.093
    2    H2   MET   1           H2       MET   1  18.901  -5.585   2.348
    3    H3   MET   1           H3       MET   1  19.877  -4.427   1.627
    4    HA   MET   1           HA       MET   1  20.181  -5.613  -0.307
    5    HB2  MET   1           HB2      MET   1  19.119  -7.772  -0.721
    6    HB3  MET   1           HB3      MET   1  20.159  -7.911   0.686
    7    HG2  MET   1           HG2      MET   1  18.235  -7.814   2.153
    8    HG3  MET   1           HG3      MET   1  17.168  -7.555   0.776
    9    HE1  MET   1           HE1      MET   1  16.745  -9.820   3.012
   10    HE2  MET   1           HE2      MET   1  16.263 -11.187   2.006
   11    HE3  MET   1           HE3      MET   1  15.641  -9.571   1.659
   12    H    ALA   2           H        ALA   2  18.401  -5.853  -1.973
   13    HA   ALA   2           HA       ALA   2  16.468  -3.821  -1.492
   14    HB1  ALA   2           HB1      ALA   2  17.461  -4.154  -3.717
   15    HB2  ALA   2           HB2      ALA   2  15.705  -4.321  -3.774
   16    HB3  ALA   2           HB3      ALA   2  16.730  -5.758  -3.801
   17    H    THR   3           H        THR   3  15.025  -4.324  -0.017
   18    HA   THR   3           HA       THR   3  13.872  -6.956   0.203
   19    HB   THR   3           HB       THR   3  13.113  -4.360   1.578
   20    HG1  THR   3           HG1      THR   3  15.418  -5.396   1.771
   21   HG21  THR   3          HG21      THR   3  12.661  -7.255   2.353
   22   HG22  THR   3          HG22      THR   3  11.425  -6.138   1.777
   23   HG23  THR   3          HG23      THR   3  12.217  -5.854   3.328
   24    H    LEU   4           H        LEU   4  12.493  -7.396  -1.499
   25    HA   LEU   4           HA       LEU   4  10.698  -5.289  -2.366
   26    HB2  LEU   4           HB2      LEU   4  11.005  -8.092  -3.445
   27    HB3  LEU   4           HB3      LEU   4  10.057  -6.812  -4.157
   28    HG   LEU   4           HG       LEU   4  13.066  -6.851  -3.929
   29   HD11  LEU   4          HD11      LEU   4  11.240  -7.110  -6.297
   30   HD12  LEU   4          HD12      LEU   4  12.220  -8.391  -5.586
   31   HD13  LEU   4          HD13      LEU   4  12.999  -7.008  -6.367
   32   HD21  LEU   4          HD21      LEU   4  12.205  -4.571  -3.733
   33   HD22  LEU   4          HD22      LEU   4  11.242  -4.800  -5.195
   34   HD23  LEU   4          HD23      LEU   4  13.000  -4.807  -5.290
   35    H    LEU   5           H        LEU   5   8.723  -5.167  -1.702
   36    HA   LEU   5           HA       LEU   5   7.784  -7.071   0.243
   37    HB2  LEU   5           HB2      LEU   5   6.412  -4.640  -0.866
   38    HB3  LEU   5           HB3      LEU   5   5.875  -5.581   0.509
   39    HG   LEU   5           HG       LEU   5   8.295  -3.817   0.316
   40   HD11  LEU   5          HD11      LEU   5   6.202  -2.690   0.711
   41   HD12  LEU   5          HD12      LEU   5   7.208  -2.656   2.163
   42   HD13  LEU   5          HD13      LEU   5   5.847  -3.771   2.058
   43   HD21  LEU   5          HD21      LEU   5   8.798  -4.473   2.624
   44   HD22  LEU   5          HD22      LEU   5   8.922  -5.848   1.526
   45   HD23  LEU   5          HD23      LEU   5   7.507  -5.673   2.566
   46    H    THR   6           H        THR   6   5.950  -8.294   0.098
   47    HA   THR   6           HA       THR   6   5.261  -9.030  -2.646
   48    HB   THR   6           HB       THR   6   4.510 -11.164  -1.606
   49    HG1  THR   6           HG1      THR   6   5.568  -9.958   0.789
   50   HG21  THR   6          HG21      THR   6   6.766 -12.027  -1.099
   51   HG22  THR   6          HG22      THR   6   7.361 -10.371  -0.962
   52   HG23  THR   6          HG23      THR   6   6.786 -10.976  -2.516
   53    H    THR   7           H        THR   7   2.962 -10.335  -2.384
   54    HA   THR   7           HA       THR   7   0.830  -8.602  -2.174
   55    HB   THR   7           HB       THR   7   0.893 -11.582  -1.584
   56    HG1  THR   7           HG1      THR   7   0.125 -10.989  -4.110
   57   HG21  THR   7          HG21      THR   7  -1.437 -11.568  -2.437
   58   HG22  THR   7          HG22      THR   7  -1.359  -9.815  -2.619
   59   HG23  THR   7          HG23      THR   7  -1.271 -10.542  -1.018
   60    H    ASP   8           H        ASP   8   2.071 -10.928   0.207
   61    HA   ASP   8           HA       ASP   8   0.347 -10.470   2.317
   62    HB2  ASP   8           HB2      ASP   8   1.866 -12.344   2.285
   63    HB3  ASP   8           HB3      ASP   8   3.245 -11.256   2.423
   64    H    ASP   9           H        ASP   9   3.403  -8.823   1.653
   65    HA   ASP   9           HA       ASP   9   3.470  -7.329   4.074
   66    HB2  ASP   9           HB2      ASP   9   4.676  -6.616   1.399
   67    HB3  ASP   9           HB3      ASP   9   5.081  -5.834   2.914
   68    H    LEU  10           H        LEU  10   2.283  -6.673   0.882
   69    HA   LEU  10           HA       LEU  10   1.408  -4.041   1.380
   70    HB2  LEU  10           HB2      LEU  10   1.888  -5.036  -0.843
   71    HB3  LEU  10           HB3      LEU  10   0.462  -6.037  -0.673
   72    HG   LEU  10           HG       LEU  10  -0.942  -4.017  -0.699
   73   HD11  LEU  10          HD11      LEU  10   0.686  -2.438   0.234
   74   HD12  LEU  10          HD12      LEU  10   0.050  -1.865  -1.305
   75   HD13  LEU  10          HD13      LEU  10   1.663  -2.577  -1.228
   76   HD21  LEU  10          HD21      LEU  10  -0.461  -5.229  -2.748
   77   HD22  LEU  10          HD22      LEU  10   0.995  -4.262  -2.992
   78   HD23  LEU  10          HD23      LEU  10  -0.593  -3.497  -3.056
   79    H    ARG  11           H        ARG  11  -0.190  -7.202   1.387
   80    HA   ARG  11           HA       ARG  11  -2.784  -6.489   2.034
   81    HB2  ARG  11           HB2      ARG  11  -2.137  -8.797   1.490
   82    HB3  ARG  11           HB3      ARG  11  -1.266  -8.918   3.012
   83    HG2  ARG  11           HG2      ARG  11  -3.413  -8.522   4.206
   84    HG3  ARG  11           HG3      ARG  11  -4.236  -8.596   2.649
   85    HD2  ARG  11           HD2      ARG  11  -4.361 -10.730   3.810
   86    HD3  ARG  11           HD3      ARG  11  -3.421 -10.874   2.327
   87    HE   ARG  11           HE       ARG  11  -1.508 -11.156   3.534
   88   HH11  ARG  11          HH11      ARG  11  -4.284 -10.691   5.718
   89   HH12  ARG  11          HH12      ARG  11  -3.526 -11.263   7.105
   90   HH21  ARG  11          HH21      ARG  11  -0.373 -11.897   5.478
   91   HH22  ARG  11          HH22      ARG  11  -1.206 -11.998   6.972
   92    H    ARG  12           H        ARG  12  -0.163  -7.338   4.289
   93    HA   ARG  12           HA       ARG  12  -1.521  -6.892   6.689
   94    HB2  ARG  12           HB2      ARG  12   1.407  -6.409   6.120
   95    HB3  ARG  12           HB3      ARG  12   0.698  -6.483   7.724
   96    HG2  ARG  12           HG2      ARG  12   0.055  -8.846   7.234
   97    HG3  ARG  12           HG3      ARG  12   0.955  -8.715   5.721
   98    HD2  ARG  12           HD2      ARG  12   2.945  -8.020   7.081
   99    HD3  ARG  12           HD3      ARG  12   2.021  -8.437   8.521
  100    HE   ARG  12           HE       ARG  12   2.460 -10.435   6.427
  101   HH11  ARG  12          HH11      ARG  12   2.950  -9.424   9.816
  102   HH12  ARG  12          HH12      ARG  12   3.779 -10.869  10.215
  103   HH21  ARG  12          HH21      ARG  12   3.579 -12.362   7.063
  104   HH22  ARG  12          HH22      ARG  12   4.136 -12.528   8.679
  105    H    ALA  13           H        ALA  13   0.232  -4.670   4.633
  106    HA   ALA  13           HA       ALA  13   0.007  -2.420   6.291
  107    HB1  ALA  13           HB1      ALA  13   1.605  -2.533   4.430
  108    HB2  ALA  13           HB2      ALA  13   0.569  -1.109   4.304
  109    HB3  ALA  13           HB3      ALA  13   0.266  -2.517   3.285
  110    H    LEU  14           H        LEU  14  -2.003  -3.495   3.530
  111    HA   LEU  14           HA       LEU  14  -3.843  -1.380   3.849
  112    HB2  LEU  14           HB2      LEU  14  -3.946  -3.927   2.296
  113    HB3  LEU  14           HB3      LEU  14  -5.438  -3.053   2.559
  114    HG   LEU  14           HG       LEU  14  -4.358  -1.056   1.474
  115   HD11  LEU  14          HD11      LEU  14  -2.036  -1.642   1.755
  116   HD12  LEU  14          HD12      LEU  14  -2.434  -1.393   0.056
  117   HD13  LEU  14          HD13      LEU  14  -2.243  -3.031   0.688
  118   HD21  LEU  14          HD21      LEU  14  -4.639  -1.896  -0.797
  119   HD22  LEU  14          HD22      LEU  14  -5.915  -2.460   0.280
  120   HD23  LEU  14          HD23      LEU  14  -4.607  -3.549  -0.187
  121    H    VAL  15           H        VAL  15  -3.663  -4.480   5.377
  122    HA   VAL  15           HA       VAL  15  -6.238  -4.464   6.549
  123    HB   VAL  15           HB       VAL  15  -3.639  -5.639   7.642
  124   HG11  VAL  15          HG11      VAL  15  -5.253  -5.267   9.451
  125   HG12  VAL  15          HG12      VAL  15  -5.061  -6.993   9.130
  126   HG13  VAL  15          HG13      VAL  15  -6.485  -6.138   8.539
  127   HG21  VAL  15          HG21      VAL  15  -4.557  -7.784   6.871
  128   HG22  VAL  15          HG22      VAL  15  -4.355  -6.647   5.536
  129   HG23  VAL  15          HG23      VAL  15  -5.958  -6.940   6.209
  130    H    GLU  16           H        GLU  16  -3.120  -3.555   8.028
  131    HA   GLU  16           HA       GLU  16  -4.381  -2.369  10.257
  132    HB2  GLU  16           HB2      GLU  16  -1.529  -2.202   9.343
  133    HB3  GLU  16           HB3      GLU  16  -2.130  -1.605  10.885
  134    HG2  GLU  16           HG2      GLU  16  -2.948  -3.937  11.327
  135    HG3  GLU  16           HG3      GLU  16  -2.019  -4.433   9.915
  136    H    SER  17           H        SER  17  -3.719  -1.106   7.188
  137    HA   SER  17           HA       SER  17  -3.484   1.616   8.001
  138    HB2  SER  17           HB2      SER  17  -2.672   0.561   5.825
  139    HB3  SER  17           HB3      SER  17  -4.352   0.604   5.300
  140    HG   SER  17           HG       SER  17  -4.218   2.687   5.033
  141    H    ALA  18           H        ALA  18  -6.072  -0.484   6.817
  142    HA   ALA  18           HA       ALA  18  -8.118   1.505   7.206
  143    HB1  ALA  18           HB1      ALA  18  -8.319  -1.470   6.697
  144    HB2  ALA  18           HB2      ALA  18  -8.355  -0.211   5.463
  145    HB3  ALA  18           HB3      ALA  18  -9.660  -0.327   6.646
  146    H    GLY  19           H        GLY  19  -6.235   0.072   9.299
  147    HA2  GLY  19           HA2      GLY  19  -6.469   0.010  11.617
  148    HA3  GLY  19           HA3      GLY  19  -8.224  -0.063  11.422
  149    H    GLU  20           H        GLU  20  -9.192  -1.890  11.135
  150    HA   GLU  20           HA       GLU  20  -8.219  -4.219   9.997
  151    HB2  GLU  20           HB2      GLU  20  -8.176  -5.737  12.003
  152    HB3  GLU  20           HB3      GLU  20  -6.845  -4.603  11.938
  153    HG2  GLU  20           HG2      GLU  20  -8.086  -3.186  13.575
  154    HG3  GLU  20           HG3      GLU  20  -9.262  -4.498  13.722
  155    H    THR  21           H        THR  21 -10.420  -2.448   9.985
  156    HA   THR  21           HA       THR  21 -12.597  -4.190  10.856
  157    HB   THR  21           HB       THR  21 -13.050  -1.241  10.481
  158    HG1  THR  21           HG1      THR  21 -11.672  -0.704  12.028
  159   HG21  THR  21          HG21      THR  21 -14.497  -1.566  12.418
  160   HG22  THR  21          HG22      THR  21 -13.851  -3.182  12.666
  161   HG23  THR  21          HG23      THR  21 -14.846  -2.851  11.259
  162    H    ASP  22           H        ASP  22 -14.542  -2.483   9.309
  163    HA   ASP  22           HA       ASP  22 -15.566  -2.455   7.368
  164    HB2  ASP  22           HB2      ASP  22 -12.779  -1.990   6.396
  165    HB3  ASP  22           HB3      ASP  22 -14.033  -2.324   5.208
  166    H    GLY  23           H        GLY  23 -12.828  -4.443   6.382
  167    HA2  GLY  23           HA2      GLY  23 -12.920  -6.742   5.919
  168    HA3  GLY  23           HA3      GLY  23 -14.672  -6.668   6.071
  169    H    THR  24           H        THR  24 -12.431  -7.361   3.943
  170    HA   THR  24           HA       THR  24 -14.202  -6.955   1.769
  171    HB   THR  24           HB       THR  24 -13.027  -4.740   1.833
  172    HG1  THR  24           HG1      THR  24 -13.523  -4.948  -0.136
  173   HG21  THR  24          HG21      THR  24 -10.853  -5.439   2.723
  174   HG22  THR  24          HG22      THR  24 -10.640  -4.593   1.190
  175   HG23  THR  24          HG23      THR  24 -10.529  -6.352   1.249
  176    H    ASP  25           H        ASP  25 -12.325  -7.534  -0.277
  177    HA   ASP  25           HA       ASP  25 -11.393 -10.170   0.635
  178    HB2  ASP  25           HB2      ASP  25 -13.068 -10.249  -1.221
  179    HB3  ASP  25           HB3      ASP  25 -11.970  -9.294  -2.216
  180    H    LEU  26           H        LEU  26  -9.426  -9.858   1.317
  181    HA   LEU  26           HA       LEU  26  -7.595  -8.232  -0.343
  182    HB2  LEU  26           HB2      LEU  26  -8.611  -7.048   1.606
  183    HB3  LEU  26           HB3      LEU  26  -7.829  -8.206   2.655
  184    HG   LEU  26           HG       LEU  26  -5.626  -7.378   1.736
  185   HD11  LEU  26          HD11      LEU  26  -7.403  -5.219   0.621
  186   HD12  LEU  26          HD12      LEU  26  -6.459  -6.386  -0.310
  187   HD13  LEU  26          HD13      LEU  26  -5.642  -5.176   0.676
  188   HD21  LEU  26          HD21      LEU  26  -7.398  -5.394   3.157
  189   HD22  LEU  26          HD22      LEU  26  -5.633  -5.367   3.124
  190   HD23  LEU  26          HD23      LEU  26  -6.482  -6.695   3.918
  191    H    SER  27           H        SER  27  -8.092 -11.296   0.996
  192    HA   SER  27           HA       SER  27  -5.303 -11.508   1.798
  193    HB2  SER  27           HB2      SER  27  -7.532 -13.435   2.412
  194    HB3  SER  27           HB3      SER  27  -5.872 -13.466   3.029
  195    HG   SER  27           HG       SER  27  -7.973 -12.138   3.969
  196    H    GLY  28           H        GLY  28  -7.156 -12.196  -0.741
  197    HA2  GLY  28           HA2      GLY  28  -5.622 -14.584  -1.510
  198    HA3  GLY  28           HA3      GLY  28  -7.037 -13.962  -2.359
  199    H    ASP  29           H        ASP  29  -6.820 -11.920  -3.376
  200    HA   ASP  29           HA       ASP  29  -4.234 -10.885  -3.935
  201    HB2  ASP  29           HB2      ASP  29  -4.204 -12.558  -5.679
  202    HB3  ASP  29           HB3      ASP  29  -5.859 -12.172  -6.147
  203    H    PHE  30           H        PHE  30  -4.375  -8.885  -4.669
  204    HA   PHE  30           HA       PHE  30  -6.975  -7.690  -5.144
  205    HB2  PHE  30           HB2      PHE  30  -6.709  -6.059  -3.292
  206    HB3  PHE  30           HB3      PHE  30  -6.914  -7.711  -2.722
  207    HD1  PHE  30           HD2      PHE  30  -4.906  -8.964  -1.874
  208    HD2  PHE  30           HD1      PHE  30  -4.784  -4.810  -2.760
  209    HE1  PHE  30           HE2      PHE  30  -2.861  -8.745  -0.544
  210    HE2  PHE  30           HE1      PHE  30  -2.736  -4.587  -1.429
  211    HZ   PHE  30           HZ       PHE  30  -1.772  -6.554  -0.321
  212    H    LEU  31           H        LEU  31  -3.755  -7.943  -5.803
  213    HA   LEU  31           HA       LEU  31  -2.871  -5.354  -6.003
  214    HB2  LEU  31           HB2      LEU  31  -2.058  -7.927  -7.222
  215    HB3  LEU  31           HB3      LEU  31  -1.409  -6.449  -7.899
  216    HG   LEU  31           HG       LEU  31  -0.543  -5.851  -5.659
  217   HD11  LEU  31          HD11      LEU  31  -2.039  -7.089  -4.286
  218   HD12  LEU  31          HD12      LEU  31  -0.357  -7.524  -3.948
  219   HD13  LEU  31          HD13      LEU  31  -1.385  -8.614  -4.899
  220   HD21  LEU  31          HD21      LEU  31   0.891  -6.884  -7.308
  221   HD22  LEU  31          HD22      LEU  31   0.403  -8.485  -6.752
  222   HD23  LEU  31          HD23      LEU  31   1.323  -7.424  -5.686
  223    H    ASP  32           H        ASP  32  -4.875  -7.156  -8.221
  224    HA   ASP  32           HA       ASP  32  -4.622  -5.036 -10.199
  225    HB2  ASP  32           HB2      ASP  32  -5.985  -7.727 -10.305
  226    HB3  ASP  32           HB3      ASP  32  -6.000  -6.565 -11.621
  227    H    LEU  33           H        LEU  33  -6.362  -5.377  -7.522
  228    HA   LEU  33           HA       LEU  33  -8.936  -4.610  -8.595
  229    HB2  LEU  33           HB2      LEU  33  -7.996  -4.844  -5.735
  230    HB3  LEU  33           HB3      LEU  33  -9.642  -4.516  -6.241
  231    HG   LEU  33           HG       LEU  33  -8.097  -7.070  -6.672
  232   HD11  LEU  33          HD11      LEU  33  -8.867  -6.770  -4.406
  233   HD12  LEU  33          HD12      LEU  33  -9.798  -8.037  -5.214
  234   HD13  LEU  33          HD13      LEU  33 -10.494  -6.427  -4.992
  235   HD21  LEU  33          HD21      LEU  33  -9.547  -6.625  -8.593
  236   HD22  LEU  33          HD22      LEU  33 -10.911  -6.368  -7.507
  237   HD23  LEU  33          HD23      LEU  33 -10.176  -7.964  -7.630
  238    H    ARG  34           H        ARG  34  -9.860  -2.593  -8.122
  239    HA   ARG  34           HA       ARG  34  -7.941  -0.402  -8.107
  240    HB2  ARG  34           HB2      ARG  34 -10.963  -0.329  -8.071
  241    HB3  ARG  34           HB3      ARG  34  -9.893   1.016  -8.438
  242    HG2  ARG  34           HG2      ARG  34  -9.172  -0.045 -10.470
  243    HG3  ARG  34           HG3      ARG  34 -10.080  -1.503 -10.063
  244    HD2  ARG  34           HD2      ARG  34 -11.244   1.227 -10.578
  245    HD3  ARG  34           HD3      ARG  34 -11.267  -0.133 -11.698
  246    HE   ARG  34           HE       ARG  34 -12.474  -1.202  -9.591
  247   HH11  ARG  34          HH11      ARG  34 -13.000   1.916 -11.184
  248   HH12  ARG  34          HH12      ARG  34 -14.647   2.023 -10.773
  249   HH21  ARG  34          HH21      ARG  34 -14.752  -1.046  -8.943
  250   HH22  ARG  34          HH22      ARG  34 -15.666   0.293  -9.462
  251    H    PHE  35           H        PHE  35  -7.488   0.921  -6.333
  252    HA   PHE  35           HA       PHE  35  -8.112   0.158  -3.734
  253    HB2  PHE  35           HB2      PHE  35  -7.258   2.825  -4.822
  254    HB3  PHE  35           HB3      PHE  35  -7.646   2.635  -3.120
  255    HD1  PHE  35           HD2      PHE  35  -6.377   0.620  -1.946
  256    HD2  PHE  35           HD1      PHE  35  -5.104   2.554  -5.511
  257    HE1  PHE  35           HE2      PHE  35  -4.094  -0.201  -1.572
  258    HE2  PHE  35           HE1      PHE  35  -2.817   1.728  -5.150
  259    HZ   PHE  35           HZ       PHE  35  -2.288   0.492  -3.029
  260    H    GLU  36           H        GLU  36  -9.775   2.596  -5.680
  261    HA   GLU  36           HA       GLU  36 -11.694   3.387  -3.794
  262    HB2  GLU  36           HB2      GLU  36 -12.998   4.223  -5.664
  263    HB3  GLU  36           HB3      GLU  36 -11.295   4.544  -5.956
  264    HG2  GLU  36           HG2      GLU  36 -11.213   2.571  -7.438
  265    HG3  GLU  36           HG3      GLU  36 -12.942   2.345  -7.187
  266    H    ASP  37           H        ASP  37 -11.448   0.531  -5.638
  267    HA   ASP  37           HA       ASP  37 -14.246  -0.212  -5.522
  268    HB2  ASP  37           HB2      ASP  37 -12.864  -0.635  -7.507
  269    HB3  ASP  37           HB3      ASP  37 -11.815  -1.671  -6.557
  270    H    ILE  38           H        ILE  38 -11.314  -0.820  -3.762
  271    HA   ILE  38           HA       ILE  38 -12.641  -2.941  -2.258
  272    HB   ILE  38           HB       ILE  38 -10.473  -3.269  -1.067
  273   HG12  ILE  38          HG12      ILE  38  -9.407  -1.247  -3.064
  274   HG13  ILE  38          HG13      ILE  38  -9.540  -1.021  -1.327
  275   HG21  ILE  38          HG21      ILE  38 -10.334  -3.473  -4.063
  276   HG22  ILE  38          HG22      ILE  38 -11.044  -4.651  -2.958
  277   HG23  ILE  38          HG23      ILE  38  -9.304  -4.346  -2.924
  278   HD11  ILE  38          HD11      ILE  38  -7.257  -1.492  -1.986
  279   HD12  ILE  38          HD12      ILE  38  -7.764  -3.015  -2.714
  280   HD13  ILE  38          HD13      ILE  38  -7.889  -2.785  -0.970
  281    H    GLY  39           H        GLY  39 -13.229  -0.058  -2.213
  282    HA2  GLY  39           HA2      GLY  39 -14.137   1.368  -0.671
  283    HA3  GLY  39           HA3      GLY  39 -13.892   0.115   0.533
  284    H    TYR  40           H        TYR  40 -11.225   1.402  -1.345
  285    HA   TYR  40           HA       TYR  40 -10.153   2.336   1.165
  286    HB2  TYR  40           HB2      TYR  40  -8.972   1.025  -1.061
  287    HB3  TYR  40           HB3      TYR  40  -8.224   2.615  -0.900
  288    HD1  TYR  40           HD1      TYR  40  -9.433  -0.033   1.422
  289    HD2  TYR  40           HD2      TYR  40  -6.315   2.640   0.348
  290    HE1  TYR  40           HE1      TYR  40  -8.142  -0.793   3.345
  291    HE2  TYR  40           HE2      TYR  40  -4.998   1.886   2.276
  292    HH   TYR  40           HH       TYR  40  -5.925  -0.822   4.180
  293    H    ASP  41           H        ASP  41 -10.182   4.252   1.744
  294    HA   ASP  41           HA       ASP  41 -10.899   6.458   0.003
  295    HB2  ASP  41           HB2      ASP  41 -11.648   6.096   2.490
  296    HB3  ASP  41           HB3      ASP  41  -9.936   6.514   2.753
  297    H    SER  42           H        SER  42  -9.584   8.407   0.166
  298    HA   SER  42           HA       SER  42  -6.983   8.026  -0.743
  299    HB2  SER  42           HB2      SER  42  -6.783  10.504  -0.470
  300    HB3  SER  42           HB3      SER  42  -8.150   9.956  -1.454
  301    H    LEU  43           H        LEU  43  -8.110   9.165   2.442
  302    HA   LEU  43           HA       LEU  43  -5.517   9.585   3.467
  303    HB2  LEU  43           HB2      LEU  43  -8.067   8.996   4.984
  304    HB3  LEU  43           HB3      LEU  43  -6.562   9.439   5.743
  305    HG   LEU  43           HG       LEU  43  -6.751  11.592   4.325
  306   HD11  LEU  43          HD11      LEU  43  -9.592  10.656   4.206
  307   HD12  LEU  43          HD12      LEU  43  -8.523  11.096   2.858
  308   HD13  LEU  43          HD13      LEU  43  -9.078  12.320   3.986
  309   HD21  LEU  43          HD21      LEU  43  -8.578  11.086   6.667
  310   HD22  LEU  43          HD22      LEU  43  -8.072  12.671   6.086
  311   HD23  LEU  43          HD23      LEU  43  -6.880  11.551   6.743
  312    H    ALA  44           H        ALA  44  -7.685   6.869   3.552
  313    HA   ALA  44           HA       ALA  44  -6.126   5.209   5.215
  314    HB1  ALA  44           HB1      ALA  44  -8.501   4.780   4.766
  315    HB2  ALA  44           HB2      ALA  44  -7.508   3.372   4.396
  316    HB3  ALA  44           HB3      ALA  44  -8.111   4.394   3.091
  317    H    LEU  45           H        LEU  45  -6.202   5.707   1.744
  318    HA   LEU  45           HA       LEU  45  -4.433   3.636   1.006
  319    HB2  LEU  45           HB2      LEU  45  -6.082   5.083  -0.352
  320    HB3  LEU  45           HB3      LEU  45  -4.810   6.261  -0.446
  321    HG   LEU  45           HG       LEU  45  -4.894   3.485  -1.635
  322   HD11  LEU  45          HD11      LEU  45  -4.781   6.199  -2.906
  323   HD12  LEU  45          HD12      LEU  45  -6.161   5.096  -2.851
  324   HD13  LEU  45          HD13      LEU  45  -4.717   4.658  -3.760
  325   HD21  LEU  45          HD21      LEU  45  -2.709   3.928  -2.657
  326   HD22  LEU  45          HD22      LEU  45  -2.603   3.886  -0.895
  327   HD23  LEU  45          HD23      LEU  45  -2.587   5.434  -1.743
  328    H    MET  46           H        MET  46  -3.947   7.106   1.649
  329    HA   MET  46           HA       MET  46  -1.151   7.146   1.211
  330    HB2  MET  46           HB2      MET  46  -2.818   8.955   2.969
  331    HB3  MET  46           HB3      MET  46  -1.154   9.272   2.493
  332    HG2  MET  46           HG2      MET  46  -1.814   9.359   0.175
  333    HG3  MET  46           HG3      MET  46  -3.477   8.973   0.639
  334    HE1  MET  46           HE1      MET  46  -4.437  11.030  -0.658
  335    HE2  MET  46           HE2      MET  46  -2.811  11.426  -1.215
  336    HE3  MET  46           HE3      MET  46  -3.826  12.675  -0.495
  337    H    GLU  47           H        GLU  47  -3.083   6.547   4.038
  338    HA   GLU  47           HA       GLU  47  -1.162   6.415   6.033
  339    HB2  GLU  47           HB2      GLU  47  -3.614   6.384   6.279
  340    HB3  GLU  47           HB3      GLU  47  -3.655   4.755   5.659
  341    HG2  GLU  47           HG2      GLU  47  -3.878   4.662   8.038
  342    HG3  GLU  47           HG3      GLU  47  -2.313   3.992   7.586
  343    H    THR  48           H        THR  48  -2.092   4.031   3.595
  344    HA   THR  48           HA       THR  48  -0.707   1.776   4.545
  345    HB   THR  48           HB       THR  48  -1.374   2.648   1.726
  346    HG1  THR  48           HG1      THR  48  -2.918   1.905   3.686
  347   HG21  THR  48          HG21      THR  48   0.400   0.973   1.702
  348   HG22  THR  48          HG22      THR  48  -1.109   0.269   1.112
  349   HG23  THR  48          HG23      THR  48  -0.550  -0.080   2.749
  350    H    ALA  49           H        ALA  49   0.169   4.204   2.130
  351    HA   ALA  49           HA       ALA  49   2.768   3.369   1.595
  352    HB1  ALA  49           HB1      ALA  49   3.107   5.624   0.717
  353    HB2  ALA  49           HB2      ALA  49   1.637   6.163   1.518
  354    HB3  ALA  49           HB3      ALA  49   1.545   4.979   0.214
  355    H    ALA  50           H        ALA  50   1.550   5.783   3.872
  356    HA   ALA  50           HA       ALA  50   3.922   6.660   4.988
  357    HB1  ALA  50           HB1      ALA  50   1.248   6.391   6.336
  358    HB2  ALA  50           HB2      ALA  50   1.750   7.728   5.300
  359    HB3  ALA  50           HB3      ALA  50   2.569   7.446   6.836
  360    H    ARG  51           H        ARG  51   2.005   3.862   5.850
  361    HA   ARG  51           HA       ARG  51   3.343   3.109   8.226
  362    HB2  ARG  51           HB2      ARG  51   1.194   2.124   7.446
  363    HB3  ARG  51           HB3      ARG  51   2.058   1.322   6.149
  364    HG2  ARG  51           HG2      ARG  51   3.383   0.107   7.909
  365    HG3  ARG  51           HG3      ARG  51   2.273   0.785   9.105
  366    HD2  ARG  51           HD2      ARG  51   0.385  -0.234   7.880
  367    HD3  ARG  51           HD3      ARG  51   1.530  -0.945   6.752
  368    HE   ARG  51           HE       ARG  51   1.082  -1.683   9.533
  369   HH11  ARG  51          HH11      ARG  51   2.934  -2.314   6.562
  370   HH12  ARG  51          HH12      ARG  51   3.277  -3.951   6.943
  371   HH21  ARG  51          HH21      ARG  51   1.476  -3.966   9.987
  372   HH22  ARG  51          HH22      ARG  51   2.452  -4.889   8.937
  373    H    LEU  52           H        LEU  52   3.733   2.098   4.881
  374    HA   LEU  52           HA       LEU  52   5.961   0.437   5.397
  375    HB2  LEU  52           HB2      LEU  52   5.098   1.595   2.737
  376    HB3  LEU  52           HB3      LEU  52   6.159   0.216   2.993
  377    HG   LEU  52           HG       LEU  52   3.235   0.304   3.705
  378   HD11  LEU  52          HD11      LEU  52   3.603   0.225   1.310
  379   HD12  LEU  52          HD12      LEU  52   2.976  -1.316   1.905
  380   HD13  LEU  52          HD13      LEU  52   4.689  -1.150   1.513
  381   HD21  LEU  52          HD21      LEU  52   4.505  -1.110   5.241
  382   HD22  LEU  52          HD22      LEU  52   5.234  -1.956   3.878
  383   HD23  LEU  52          HD23      LEU  52   3.500  -2.087   4.171
  384    H    GLU  53           H        GLU  53   5.617   3.824   4.629
  385    HA   GLU  53           HA       GLU  53   8.244   4.471   3.959
  386    HB2  GLU  53           HB2      GLU  53   6.275   6.048   5.569
  387    HB3  GLU  53           HB3      GLU  53   7.796   6.706   5.005
  388    HG2  GLU  53           HG2      GLU  53   6.977   6.278   2.672
  389    HG3  GLU  53           HG3      GLU  53   5.411   5.866   3.380
  390    H    SER  54           H        SER  54   6.745   4.725   7.162
  391    HA   SER  54           HA       SER  54   9.128   5.227   8.540
  392    HB2  SER  54           HB2      SER  54   6.583   4.013   9.613
  393    HB3  SER  54           HB3      SER  54   7.800   4.916  10.522
  394    HG   SER  54           HG       SER  54   7.179   6.566   8.649
  395    H    ARG  55           H        ARG  55   7.405   2.226   7.872
  396    HA   ARG  55           HA       ARG  55   9.025   0.593   9.486
  397    HB2  ARG  55           HB2      ARG  55   6.848  -0.180   9.017
  398    HB3  ARG  55           HB3      ARG  55   7.076  -0.018   7.290
  399    HG2  ARG  55           HG2      ARG  55   7.011  -2.352   8.075
  400    HG3  ARG  55           HG3      ARG  55   8.490  -1.939   7.223
  401    HD2  ARG  55           HD2      ARG  55   8.993  -3.323   9.131
  402    HD3  ARG  55           HD3      ARG  55   9.644  -1.709   9.376
  403    HE   ARG  55           HE       ARG  55   7.440  -1.442  10.731
  404   HH11  ARG  55          HH11      ARG  55   9.408  -4.343  10.505
  405   HH12  ARG  55          HH12      ARG  55   9.191  -4.848  12.116
  406   HH21  ARG  55          HH21      ARG  55   7.106  -2.098  12.994
  407   HH22  ARG  55          HH22      ARG  55   7.849  -3.539  13.546
  408    H    TYR  56           H        TYR  56   9.237   1.217   5.950
  409    HA   TYR  56           HA       TYR  56  11.623  -0.456   6.057
  410    HB2  TYR  56           HB2      TYR  56   9.889   0.211   3.686
  411    HB3  TYR  56           HB3      TYR  56  11.392  -0.714   3.609
  412    HD1  TYR  56           HD2      TYR  56  11.541  -2.820   5.128
  413    HD2  TYR  56           HD1      TYR  56   7.899  -0.875   4.114
  414    HE1  TYR  56           HE2      TYR  56  10.299  -4.878   5.641
  415    HE2  TYR  56           HE1      TYR  56   6.652  -2.920   4.622
  416    HH   TYR  56           HH       TYR  56   7.881  -5.473   6.329
  417    H    GLY  57           H        GLY  57  10.891   2.788   5.912
  418    HA2  GLY  57           HA2      GLY  57  12.495   4.478   5.967
  419    HA3  GLY  57           HA3      GLY  57  13.679   3.346   5.331
  420    H    VAL  58           H        VAL  58  10.520   4.302   4.089
  421    HA   VAL  58           HA       VAL  58  11.897   5.250   1.688
  422    HB   VAL  58           HB       VAL  58  10.073   4.580   0.249
  423   HG11  VAL  58          HG11      VAL  58  10.795   2.351   2.086
  424   HG12  VAL  58          HG12      VAL  58  11.725   2.894   0.681
  425   HG13  VAL  58          HG13      VAL  58  10.125   2.157   0.467
  426   HG21  VAL  58          HG21      VAL  58   8.184   4.949   1.748
  427   HG22  VAL  58          HG22      VAL  58   8.654   3.546   2.704
  428   HG23  VAL  58          HG23      VAL  58   8.116   3.338   1.036
  429    H    SER  59           H        SER  59  10.274   6.699   0.349
  430    HA   SER  59           HA       SER  59   8.806   8.448   2.160
  431    HB2  SER  59           HB2      SER  59  11.080   9.397   1.828
  432    HB3  SER  59           HB3      SER  59  10.838   9.354   0.086
  433    HG   SER  59           HG       SER  59  10.259  11.276   1.738
  434    H    ILE  60           H        ILE  60   6.810   8.478   1.389
  435    HA   ILE  60           HA       ILE  60   6.420   8.381  -1.536
  436    HB   ILE  60           HB       ILE  60   4.518   7.217   0.535
  437   HG12  ILE  60          HG12      ILE  60   6.536   5.798   0.320
  438   HG13  ILE  60          HG13      ILE  60   5.107   4.994  -0.314
  439   HG21  ILE  60          HG21      ILE  60   4.416   7.145  -2.480
  440   HG22  ILE  60          HG22      ILE  60   3.356   8.067  -1.413
  441   HG23  ILE  60          HG23      ILE  60   3.302   6.303  -1.400
  442   HD11  ILE  60          HD11      ILE  60   7.061   4.606  -1.721
  443   HD12  ILE  60          HD12      ILE  60   7.264   6.345  -1.944
  444   HD13  ILE  60          HD13      ILE  60   5.842   5.533  -2.598
  445    HA   PRO  61           HA       PRO  61   4.616  12.376  -0.403
  446    HB2  PRO  61           HB2      PRO  61   4.338  12.496  -3.358
  447    HB3  PRO  61           HB3      PRO  61   5.101  13.648  -2.255
  448    HG2  PRO  61           HG2      PRO  61   6.587  12.119  -3.835
  449    HG3  PRO  61           HG3      PRO  61   7.084  12.440  -2.161
  450    HD2  PRO  61           HD2      PRO  61   5.749  10.009  -3.299
  451    HD3  PRO  61           HD3      PRO  61   7.118  10.111  -2.169
  452    H    ASP  62           H        ASP  62   2.519  13.081  -0.303
  453    HA   ASP  62           HA       ASP  62   0.439  11.234  -0.477
  454    HB2  ASP  62           HB2      ASP  62  -1.089  13.056   0.106
  455    HB3  ASP  62           HB3      ASP  62   0.359  13.100   1.096
  456    H    ASP  63           H        ASP  63   1.517  13.528  -2.878
  457    HA   ASP  63           HA       ASP  63  -0.826  13.438  -4.522
  458    HB2  ASP  63           HB2      ASP  63   0.844  15.232  -4.756
  459    HB3  ASP  63           HB3      ASP  63   2.062  14.061  -5.237
  460    H    VAL  64           H        VAL  64   2.009  11.547  -4.195
  461    HA   VAL  64           HA       VAL  64   1.663   9.872  -6.544
  462    HB   VAL  64           HB       VAL  64   3.316   9.477  -4.039
  463   HG11  VAL  64          HG11      VAL  64   3.548   8.200  -6.771
  464   HG12  VAL  64          HG12      VAL  64   2.999   7.409  -5.292
  465   HG13  VAL  64          HG13      VAL  64   4.667   7.960  -5.428
  466   HG21  VAL  64          HG21      VAL  64   4.108  10.699  -6.683
  467   HG22  VAL  64          HG22      VAL  64   5.204  10.342  -5.352
  468   HG23  VAL  64          HG23      VAL  64   3.932  11.547  -5.148
  469    H    ALA  65           H        ALA  65   1.368   9.377  -3.073
  470    HA   ALA  65           HA       ALA  65   0.219   6.840  -3.160
  471    HB1  ALA  65           HB1      ALA  65   1.140   7.850  -1.126
  472    HB2  ALA  65           HB2      ALA  65  -0.502   7.251  -0.871
  473    HB3  ALA  65           HB3      ALA  65  -0.216   8.978  -1.079
  474    H    GLY  66           H        GLY  66  -1.292   9.993  -3.558
  475    HA2  GLY  66           HA2      GLY  66  -3.938   8.838  -3.387
  476    HA3  GLY  66           HA3      GLY  66  -3.541  10.529  -3.632
  477    H    ARG  67           H        ARG  67  -1.666   9.002  -5.821
  478    HA   ARG  67           HA       ARG  67  -3.714   9.424  -7.886
  479    HB2  ARG  67           HB2      ARG  67  -1.596  10.745  -8.023
  480    HB3  ARG  67           HB3      ARG  67  -0.727   9.233  -8.271
  481    HG2  ARG  67           HG2      ARG  67  -2.158   8.827 -10.261
  482    HG3  ARG  67           HG3      ARG  67  -2.813  10.447 -10.043
  483    HD2  ARG  67           HD2      ARG  67  -0.580  11.384 -10.329
  484    HD3  ARG  67           HD3      ARG  67   0.079   9.758 -10.537
  485    HE   ARG  67           HE       ARG  67  -1.857  11.041 -12.314
  486   HH11  ARG  67          HH11      ARG  67   0.978   8.971 -11.847
  487   HH12  ARG  67          HH12      ARG  67   0.989   8.399 -13.459
  488   HH21  ARG  67          HH21      ARG  67  -1.790  10.223 -14.565
  489   HH22  ARG  67          HH22      ARG  67  -0.542   9.143 -15.008
  490    H    VAL  68           H        VAL  68  -2.035   6.948  -6.343
  491    HA   VAL  68           HA       VAL  68  -1.764   5.263  -8.623
  492    HB   VAL  68           HB       VAL  68  -1.158   3.453  -6.870
  493   HG11  VAL  68          HG11      VAL  68   0.445   6.012  -7.061
  494   HG12  VAL  68          HG12      VAL  68   0.477   4.684  -8.223
  495   HG13  VAL  68          HG13      VAL  68   1.068   4.434  -6.578
  496   HG21  VAL  68          HG21      VAL  68  -0.498   4.304  -4.693
  497   HG22  VAL  68          HG22      VAL  68  -2.224   4.626  -4.946
  498   HG23  VAL  68          HG23      VAL  68  -1.025   5.916  -5.158
  499    H    ASP  69           H        ASP  69  -2.848   3.652  -9.291
  500    HA   ASP  69           HA       ASP  69  -5.709   3.724  -8.733
  501    HB2  ASP  69           HB2      ASP  69  -4.196   2.114 -10.797
  502    HB3  ASP  69           HB3      ASP  69  -5.935   2.328 -10.729
  503    H    THR  70           H        THR  70  -3.430   1.032  -9.253
  504    HA   THR  70           HA       THR  70  -5.155  -0.634  -7.599
  505    HB   THR  70           HB       THR  70  -3.911  -2.507  -8.728
  506    HG1  THR  70           HG1      THR  70  -3.067  -0.883 -10.808
  507   HG21  THR  70          HG21      THR  70  -5.336  -0.577 -10.577
  508   HG22  THR  70          HG22      THR  70  -6.116  -1.790  -9.559
  509   HG23  THR  70          HG23      THR  70  -5.077  -2.293 -10.892
  510    HA   PRO  71           HA       PRO  71  -2.016  -1.113  -4.442
  511    HB2  PRO  71           HB2      PRO  71  -2.460  -4.052  -4.835
  512    HB3  PRO  71           HB3      PRO  71  -2.421  -3.104  -3.346
  513    HG2  PRO  71           HG2      PRO  71  -4.737  -3.838  -4.307
  514    HG3  PRO  71           HG3      PRO  71  -4.519  -2.180  -3.702
  515    HD2  PRO  71           HD2      PRO  71  -4.562  -3.179  -6.522
  516    HD3  PRO  71           HD3      PRO  71  -5.322  -1.728  -5.834
  517    H    ARG  72           H        ARG  72  -1.826  -3.036  -7.416
  518    HA   ARG  72           HA       ARG  72   0.830  -3.868  -7.360
  519    HB2  ARG  72           HB2      ARG  72  -0.826  -2.908  -9.698
  520    HB3  ARG  72           HB3      ARG  72   0.832  -3.498  -9.857
  521    HG2  ARG  72           HG2      ARG  72   0.209  -5.650  -9.098
  522    HG3  ARG  72           HG3      ARG  72  -1.411  -5.087  -8.690
  523    HD2  ARG  72           HD2      ARG  72  -1.440  -6.335 -10.764
  524    HD3  ARG  72           HD3      ARG  72  -1.854  -4.651 -11.047
  525    HE   ARG  72           HE       ARG  72   0.885  -4.943 -11.468
  526   HH11  ARG  72          HH11      ARG  72  -2.144  -6.218 -12.901
  527   HH12  ARG  72          HH12      ARG  72  -1.546  -6.238 -14.486
  528   HH21  ARG  72          HH21      ARG  72   1.707  -5.023 -13.734
  529   HH22  ARG  72          HH22      ARG  72   0.656  -5.529 -14.968
  530    H    GLU  73           H        GLU  73  -0.496  -0.755  -8.317
  531    HA   GLU  73           HA       GLU  73   1.859   0.530  -9.139
  532    HB2  GLU  73           HB2      GLU  73  -0.658   1.672  -7.928
  533    HB3  GLU  73           HB3      GLU  73   0.557   2.587  -8.798
  534    HG2  GLU  73           HG2      GLU  73  -1.012   0.333 -10.007
  535    HG3  GLU  73           HG3      GLU  73  -1.507   2.023 -10.077
  536    H    LEU  74           H        LEU  74   0.172   0.423  -6.048
  537    HA   LEU  74           HA       LEU  74   1.871   2.275  -4.709
  538    HB2  LEU  74           HB2      LEU  74  -0.509   1.670  -4.103
  539    HB3  LEU  74           HB3      LEU  74   0.084   0.149  -3.482
  540    HG   LEU  74           HG       LEU  74  -0.478   1.792  -1.722
  541   HD11  LEU  74          HD11      LEU  74   1.524   1.632  -0.358
  542   HD12  LEU  74          HD12      LEU  74   2.449   1.125  -1.776
  543   HD13  LEU  74          HD13      LEU  74   1.142   0.109  -1.161
  544   HD21  LEU  74          HD21      LEU  74   0.945   3.752  -1.350
  545   HD22  LEU  74          HD22      LEU  74   0.064   3.839  -2.873
  546   HD23  LEU  74          HD23      LEU  74   1.779   3.422  -2.869
  547    H    LEU  75           H        LEU  75   1.677  -1.268  -4.738
  548    HA   LEU  75           HA       LEU  75   3.818  -1.831  -3.041
  549    HB2  LEU  75           HB2      LEU  75   2.134  -3.467  -3.897
  550    HB3  LEU  75           HB3      LEU  75   2.927  -3.406  -5.459
  551    HG   LEU  75           HG       LEU  75   4.986  -4.304  -4.402
  552   HD11  LEU  75          HD11      LEU  75   3.208  -4.607  -1.988
  553   HD12  LEU  75          HD12      LEU  75   4.596  -3.528  -2.139
  554   HD13  LEU  75          HD13      LEU  75   4.830  -5.276  -2.165
  555   HD21  LEU  75          HD21      LEU  75   3.412  -5.795  -5.529
  556   HD22  LEU  75          HD22      LEU  75   2.500  -5.978  -4.031
  557   HD23  LEU  75          HD23      LEU  75   4.150  -6.591  -4.141
  558    H    ASP  76           H        ASP  76   3.660  -1.202  -6.492
  559    HA   ASP  76           HA       ASP  76   6.295  -1.779  -7.225
  560    HB2  ASP  76           HB2      ASP  76   4.449  -1.462  -8.825
  561    HB3  ASP  76           HB3      ASP  76   4.421   0.256  -8.444
  562    H    LEU  77           H        LEU  77   4.808   1.185  -6.077
  563    HA   LEU  77           HA       LEU  77   6.976   2.948  -6.389
  564    HB2  LEU  77           HB2      LEU  77   4.938   2.921  -4.165
  565    HB3  LEU  77           HB3      LEU  77   5.939   4.282  -4.624
  566    HG   LEU  77           HG       LEU  77   3.791   3.053  -6.339
  567   HD11  LEU  77          HD11      LEU  77   3.806   5.574  -4.699
  568   HD12  LEU  77          HD12      LEU  77   2.874   4.116  -4.367
  569   HD13  LEU  77          HD13      LEU  77   2.530   5.075  -5.806
  570   HD21  LEU  77          HD21      LEU  77   5.572   4.106  -7.644
  571   HD22  LEU  77          HD22      LEU  77   5.414   5.577  -6.683
  572   HD23  LEU  77          HD23      LEU  77   4.083   5.053  -7.720
  573    H    ILE  78           H        ILE  78   5.958   0.976  -3.668
  574    HA   ILE  78           HA       ILE  78   8.048   1.654  -1.910
  575    HB   ILE  78           HB       ILE  78   6.468  -0.941  -1.964
  576   HG12  ILE  78          HG12      ILE  78   4.957   1.003  -1.924
  577   HG13  ILE  78          HG13      ILE  78   4.921   0.134  -0.395
  578   HG21  ILE  78          HG21      ILE  78   6.960  -1.012   0.437
  579   HG22  ILE  78          HG22      ILE  78   7.916   0.460   0.283
  580   HG23  ILE  78          HG23      ILE  78   8.440  -1.018  -0.528
  581   HD11  ILE  78          HD11      ILE  78   6.397   2.704  -0.939
  582   HD12  ILE  78          HD12      ILE  78   6.371   1.840   0.598
  583   HD13  ILE  78          HD13      ILE  78   4.886   2.537  -0.046
  584    H    ASN  79           H        ASN  79   7.621  -1.114  -4.115
  585    HA   ASN  79           HA       ASN  79  10.065  -2.398  -3.526
  586    HB2  ASN  79           HB2      ASN  79   8.313  -2.522  -5.982
  587    HB3  ASN  79           HB3      ASN  79   9.842  -3.374  -5.912
  588   HD21  ASN  79          HD21      ASN  79   7.698  -3.055  -3.137
  589   HD22  ASN  79          HD22      ASN  79   7.214  -4.727  -3.127
  590    H    GLY  80           H        GLY  80   9.280  -0.010  -6.015
  591    HA2  GLY  80           HA2      GLY  80  11.797   0.076  -7.258
  592    HA3  GLY  80           HA3      GLY  80  10.608   1.370  -7.267
  593    H    ALA  81           H        ALA  81  10.551   1.808  -4.466
  594    HA   ALA  81           HA       ALA  81  12.818   3.491  -4.153
  595    HB1  ALA  81           HB1      ALA  81  11.877   3.998  -1.954
  596    HB2  ALA  81           HB2      ALA  81  10.744   2.657  -2.118
  597    HB3  ALA  81           HB3      ALA  81  10.629   4.044  -3.196
  598    H    LEU  82           H        LEU  82  11.764   0.491  -2.580
  599    HA   LEU  82           HA       LEU  82  13.997   0.246  -0.875
  600    HB2  LEU  82           HB2      LEU  82  11.999  -1.787  -1.809
  601    HB3  LEU  82           HB3      LEU  82  13.235  -2.132  -0.615
  602    HG   LEU  82           HG       LEU  82  11.084  -0.040  -0.296
  603   HD11  LEU  82          HD11      LEU  82  11.372  -2.750   1.005
  604   HD12  LEU  82          HD12      LEU  82  10.230  -2.360  -0.265
  605   HD13  LEU  82          HD13      LEU  82  10.095  -1.567   1.311
  606   HD21  LEU  82          HD21      LEU  82  11.884   0.072   2.003
  607   HD22  LEU  82          HD22      LEU  82  13.163   0.491   0.866
  608   HD23  LEU  82          HD23      LEU  82  13.153  -1.096   1.633
  609    H    ALA  83           H        ALA  83  13.570  -0.638  -4.181
  610    HA   ALA  83           HA       ALA  83  15.675  -2.473  -4.439
  611    HB1  ALA  83           HB1      ALA  83  15.659  -1.882  -6.813
  612    HB2  ALA  83           HB2      ALA  83  14.685  -0.456  -6.456
  613    HB3  ALA  83           HB3      ALA  83  14.013  -2.066  -6.201
  614    H    GLU  84           H        GLU  84  15.621   0.962  -4.059
  615    HA   GLU  84           HA       GLU  84  18.494   1.138  -4.582
  616    HB2  GLU  84           HB2      GLU  84  16.344   3.244  -4.478
  617    HB3  GLU  84           HB3      GLU  84  18.059   3.618  -4.542
  618    HG2  GLU  84           HG2      GLU  84  16.515   2.077  -6.608
  619    HG3  GLU  84           HG3      GLU  84  17.027   3.762  -6.737
  620    H    ALA  85           H        ALA  85  16.774   0.303  -2.091
  621    HA   ALA  85           HA       ALA  85  17.704   2.262  -0.190
  622    HB1  ALA  85           HB1      ALA  85  15.463   1.282   0.112
  623    HB2  ALA  85           HB2      ALA  85  16.510   0.989   1.500
  624    HB3  ALA  85           HB3      ALA  85  16.201  -0.304   0.344
  625    H    ALA  86           H        ALA  86  19.849   2.023  -0.554
  626    HA   ALA  86           HA       ALA  86  21.125  -0.387   0.467
  627    HB1  ALA  86           HB1      ALA  86  22.283   2.048  -0.916
  628    HB2  ALA  86           HB2      ALA  86  21.981   0.477  -1.663
  629    HB3  ALA  86           HB3      ALA  86  23.200   0.633  -0.399
  630    H28  SXA  87          H28A      SXA  87  -7.317  14.600   0.223
  631   H28A  SXA  87          H28B      SXA  87  -8.571  14.742   1.458
  632    H30  SXA  87          H30A      SXA  87  -8.030  14.991   3.769
  633   H30A  SXA  87          H30B      SXA  87  -6.391  14.719   4.369
  634   H30B  SXA  87          H30C      SXA  87  -7.314  13.384   3.686
  635    H31  SXA  87          H31A      SXA  87  -4.878  14.192   1.016
  636   H31A  SXA  87          H31B      SXA  87  -5.415  12.932   2.127
  637   H31B  SXA  87          H31C      SXA  87  -4.512  14.318   2.738
  638    H32  SXA  87          H32A      SXA  87  -7.198  16.864   2.352
  639   HO33  SXA  87          H33A      SXA  87  -5.032  16.717   0.742
  640   HN36  SXA  87          H36A      SXA  87  -5.970  16.295   4.597
  641    H37  SXA  87          H37A      SXA  87  -3.236  17.367   4.529
  642   H37A  SXA  87          H37B      SXA  87  -4.435  17.981   5.675
  643    H38  SXA  87          H38A      SXA  87  -3.446  15.115   5.527
  644   H38A  SXA  87          H38B      SXA  87  -2.798  16.329   6.594
  645   HN41  SXA  87          H41A      SXA  87  -3.633  14.117   7.704
  646    H42  SXA  87          H42A      SXA  87  -5.399  14.851   9.725
  647   H42A  SXA  87          H42B      SXA  87  -6.311  13.935   8.531
  648    H43  SXA  87          H43A      SXA  87  -4.693  12.087   8.724
  649   H43A  SXA  87          H43B      SXA  87  -5.542  12.454  10.232
  650    H2   SXA  87           H2C      SXA  87  -2.223  10.768  12.614
  651    H2A  SXA  87           H2A      SXA  87  -1.432  12.199  11.943
  652    H2B  SXA  87           H2B      SXA  87  -1.116  10.607  11.242
  Start of MODEL   13
    1    H1   MET   1           H1       MET   1  16.058 -11.203   1.397
    2    H2   MET   1           H2       MET   1  16.112 -10.430   2.854
    3    H3   MET   1           H3       MET   1  16.907 -11.916   2.705
    4    HA   MET   1           HA       MET   1  18.455 -10.144   2.782
    5    HB2  MET   1           HB2      MET   1  18.175 -11.108  -0.086
    6    HB3  MET   1           HB3      MET   1  19.615 -10.374   0.600
    7    HG2  MET   1           HG2      MET   1  19.999 -12.696   0.510
    8    HG3  MET   1           HG3      MET   1  19.715 -12.297   2.198
    9    HE1  MET   1           HE1      MET   1  19.316 -14.827   2.819
   10    HE2  MET   1           HE2      MET   1  19.662 -15.265   1.146
   11    HE3  MET   1           HE3      MET   1  18.218 -15.894   1.941
   12    H    ALA   2           H        ALA   2  17.214  -9.573  -0.485
   13    HA   ALA   2           HA       ALA   2  17.139  -6.744   0.111
   14    HB1  ALA   2           HB1      ALA   2  16.586  -8.279  -2.447
   15    HB2  ALA   2           HB2      ALA   2  18.097  -7.466  -2.033
   16    HB3  ALA   2           HB3      ALA   2  16.634  -6.520  -2.302
   17    H    THR   3           H        THR   3  15.393  -6.327   1.341
   18    HA   THR   3           HA       THR   3  13.035  -7.894   1.263
   19    HB   THR   3           HB       THR   3  13.426  -5.168   2.506
   20    HG1  THR   3           HG1      THR   3  15.021  -6.256   3.381
   21   HG21  THR   3          HG21      THR   3  11.788  -6.010   4.146
   22   HG22  THR   3          HG22      THR   3  11.685  -7.532   3.262
   23   HG23  THR   3          HG23      THR   3  11.115  -6.039   2.517
   24    H    LEU   4           H        LEU   4  11.875  -7.802  -0.501
   25    HA   LEU   4           HA       LEU   4  10.978  -5.192  -1.499
   26    HB2  LEU   4           HB2      LEU   4  11.160  -7.853  -2.929
   27    HB3  LEU   4           HB3      LEU   4  10.450  -6.401  -3.603
   28    HG   LEU   4           HG       LEU   4  13.351  -6.717  -2.842
   29   HD11  LEU   4          HD11      LEU   4  12.751  -8.089  -4.757
   30   HD12  LEU   4          HD12      LEU   4  13.749  -6.719  -5.249
   31   HD13  LEU   4          HD13      LEU   4  12.009  -6.694  -5.538
   32   HD21  LEU   4          HD21      LEU   4  11.896  -4.488  -4.268
   33   HD22  LEU   4          HD22      LEU   4  13.637  -4.585  -4.013
   34   HD23  LEU   4          HD23      LEU   4  12.551  -4.420  -2.633
   35    H    LEU   5           H        LEU   5   8.972  -4.821  -0.928
   36    HA   LEU   5           HA       LEU   5   7.525  -6.758   0.505
   37    HB2  LEU   5           HB2      LEU   5   6.509  -4.159  -0.618
   38    HB3  LEU   5           HB3      LEU   5   5.664  -5.166   0.534
   39    HG   LEU   5           HG       LEU   5   8.128  -3.514   0.958
   40   HD11  LEU   5          HD11      LEU   5   6.795  -2.544   2.741
   41   HD12  LEU   5          HD12      LEU   5   5.471  -3.639   2.348
   42   HD13  LEU   5          HD13      LEU   5   5.974  -2.418   1.184
   43   HD21  LEU   5          HD21      LEU   5   7.013  -5.621   2.814
   44   HD22  LEU   5          HD22      LEU   5   8.282  -4.463   3.218
   45   HD23  LEU   5          HD23      LEU   5   8.568  -5.687   1.982
   46    H    THR   6           H        THR   6   6.052  -8.100   0.001
   47    HA   THR   6           HA       THR   6   5.531  -8.517  -2.824
   48    HB   THR   6           HB       THR   6   4.870 -10.786  -2.084
   49    HG1  THR   6           HG1      THR   6   5.723  -9.884   0.512
   50   HG21  THR   6          HG21      THR   6   7.118 -11.557  -1.420
   51   HG22  THR   6          HG22      THR   6   7.576  -9.900  -1.044
   52   HG23  THR   6          HG23      THR   6   7.211 -10.359  -2.710
   53    H    THR   7           H        THR   7   3.327  -9.922  -2.830
   54    HA   THR   7           HA       THR   7   1.117  -8.278  -2.654
   55    HB   THR   7           HB       THR   7   1.286 -11.298  -2.405
   56    HG1  THR   7           HG1      THR   7   2.314 -10.554  -4.274
   57   HG21  THR   7          HG21      THR   7  -1.001  -9.541  -3.337
   58   HG22  THR   7          HG22      THR   7  -0.953 -10.461  -1.831
   59   HG23  THR   7          HG23      THR   7  -0.984 -11.303  -3.377
   60    H    ASP   8           H        ASP   8   2.159 -10.836  -0.412
   61    HA   ASP   8           HA       ASP   8   0.153 -10.404   1.499
   62    HB2  ASP   8           HB2      ASP   8   1.343 -12.501   1.353
   63    HB3  ASP   8           HB3      ASP   8   2.839 -11.708   1.837
   64    H    ASP   9           H        ASP   9   3.353  -8.955   1.212
   65    HA   ASP   9           HA       ASP   9   3.416  -7.830   3.841
   66    HB2  ASP   9           HB2      ASP   9   4.742  -6.823   1.326
   67    HB3  ASP   9           HB3      ASP   9   5.079  -6.138   2.899
   68    H    LEU  10           H        LEU  10   2.270  -6.659   0.762
   69    HA   LEU  10           HA       LEU  10   1.445  -4.105   1.689
   70    HB2  LEU  10           HB2      LEU  10   1.881  -4.773  -0.692
   71    HB3  LEU  10           HB3      LEU  10   0.396  -5.693  -0.655
   72    HG   LEU  10           HG       LEU  10  -0.864  -3.597  -0.262
   73   HD11  LEU  10          HD11      LEU  10   1.814  -2.285  -0.714
   74   HD12  LEU  10          HD12      LEU  10   0.909  -2.300   0.797
   75   HD13  LEU  10          HD13      LEU  10   0.261  -1.454  -0.611
   76   HD21  LEU  10          HD21      LEU  10  -0.602  -4.492  -2.510
   77   HD22  LEU  10          HD22      LEU  10   0.917  -3.614  -2.690
   78   HD23  LEU  10          HD23      LEU  10  -0.601  -2.730  -2.535
   79    H    ARG  11           H        ARG  11  -0.160  -7.182   1.142
   80    HA   ARG  11           HA       ARG  11  -2.781  -6.756   1.830
   81    HB2  ARG  11           HB2      ARG  11  -1.976  -8.872   1.030
   82    HB3  ARG  11           HB3      ARG  11  -0.947  -9.069   2.432
   83    HG2  ARG  11           HG2      ARG  11  -3.029  -9.217   3.815
   84    HG3  ARG  11           HG3      ARG  11  -3.939  -9.265   2.298
   85    HD2  ARG  11           HD2      ARG  11  -2.724 -11.232   1.590
   86    HD3  ARG  11           HD3      ARG  11  -1.711 -11.164   3.027
   87    HE   ARG  11           HE       ARG  11  -4.611 -11.699   3.084
   88   HH11  ARG  11          HH11      ARG  11  -1.308 -12.373   4.309
   89   HH12  ARG  11          HH12      ARG  11  -1.830 -13.546   5.396
   90   HH21  ARG  11          HH21      ARG  11  -5.280 -13.327   4.538
   91   HH22  ARG  11          HH22      ARG  11  -4.138 -14.150   5.514
   92    H    ARG  12           H        ARG  12  -0.137  -7.620   4.047
   93    HA   ARG  12           HA       ARG  12  -1.537  -7.584   6.450
   94    HB2  ARG  12           HB2      ARG  12   1.379  -6.952   5.931
   95    HB3  ARG  12           HB3      ARG  12   0.702  -7.191   7.535
   96    HG2  ARG  12           HG2      ARG  12   0.100  -9.497   6.920
   97    HG3  ARG  12           HG3      ARG  12   0.793  -9.241   5.320
   98    HD2  ARG  12           HD2      ARG  12   2.379 -10.426   6.730
   99    HD3  ARG  12           HD3      ARG  12   2.991  -8.816   6.361
  100    HE   ARG  12           HE       ARG  12   1.521  -8.968   8.814
  101   HH11  ARG  12          HH11      ARG  12   4.784  -9.430   7.425
  102   HH12  ARG  12          HH12      ARG  12   5.604  -9.143   8.878
  103   HH21  ARG  12          HH21      ARG  12   2.657  -8.593  10.797
  104   HH22  ARG  12          HH22      ARG  12   4.372  -8.593  10.855
  105    H    ALA  13           H        ALA  13  -0.198  -4.921   4.647
  106    HA   ALA  13           HA       ALA  13  -0.531  -3.013   6.782
  107    HB1  ALA  13           HB1      ALA  13   0.016  -2.541   3.851
  108    HB2  ALA  13           HB2      ALA  13   1.248  -2.734   5.101
  109    HB3  ALA  13           HB3      ALA  13   0.154  -1.349   5.142
  110    H    LEU  14           H        LEU  14  -2.258  -3.803   3.785
  111    HA   LEU  14           HA       LEU  14  -4.075  -1.670   4.014
  112    HB2  LEU  14           HB2      LEU  14  -4.091  -4.187   2.412
  113    HB3  LEU  14           HB3      LEU  14  -5.588  -3.294   2.561
  114    HG   LEU  14           HG       LEU  14  -4.498  -1.317   1.558
  115   HD11  LEU  14          HD11      LEU  14  -2.138  -3.119   1.139
  116   HD12  LEU  14          HD12      LEU  14  -2.208  -1.713   2.200
  117   HD13  LEU  14          HD13      LEU  14  -2.359  -1.508   0.454
  118   HD21  LEU  14          HD21      LEU  14  -4.355  -2.175  -0.712
  119   HD22  LEU  14          HD22      LEU  14  -5.733  -2.847   0.161
  120   HD23  LEU  14          HD23      LEU  14  -4.284  -3.822  -0.083
  121    H    VAL  15           H        VAL  15  -4.086  -4.796   5.439
  122    HA   VAL  15           HA       VAL  15  -6.733  -4.844   6.409
  123    HB   VAL  15           HB       VAL  15  -4.226  -5.948   7.750
  124   HG11  VAL  15          HG11      VAL  15  -7.133  -6.615   8.230
  125   HG12  VAL  15          HG12      VAL  15  -6.081  -5.731   9.333
  126   HG13  VAL  15          HG13      VAL  15  -5.757  -7.429   8.976
  127   HG21  VAL  15          HG21      VAL  15  -4.595  -6.888   5.528
  128   HG22  VAL  15          HG22      VAL  15  -6.252  -7.298   5.966
  129   HG23  VAL  15          HG23      VAL  15  -4.901  -8.093   6.777
  130    H    GLU  16           H        GLU  16  -3.753  -3.643   7.967
  131    HA   GLU  16           HA       GLU  16  -5.279  -2.660  10.176
  132    HB2  GLU  16           HB2      GLU  16  -3.150  -2.009  11.183
  133    HB3  GLU  16           HB3      GLU  16  -3.103  -3.642  10.533
  134    HG2  GLU  16           HG2      GLU  16  -1.832  -2.976   8.674
  135    HG3  GLU  16           HG3      GLU  16  -1.956  -1.276   9.141
  136    H    SER  17           H        SER  17  -4.086  -1.221   7.238
  137    HA   SER  17           HA       SER  17  -4.325   1.452   8.207
  138    HB2  SER  17           HB2      SER  17  -4.315   0.436   5.354
  139    HB3  SER  17           HB3      SER  17  -4.127   2.111   5.849
  140    HG   SER  17           HG       SER  17  -2.297   0.902   7.190
  141    H    ALA  18           H        ALA  18  -6.475  -0.807   6.513
  142    HA   ALA  18           HA       ALA  18  -8.578   1.114   6.235
  143    HB1  ALA  18           HB1      ALA  18  -8.446  -0.840   4.754
  144    HB2  ALA  18           HB2      ALA  18  -9.976  -0.809   5.631
  145    HB3  ALA  18           HB3      ALA  18  -8.690  -1.906   6.138
  146    H    GLY  19           H        GLY  19  -7.776  -1.461   8.492
  147    HA2  GLY  19           HA2      GLY  19  -8.274  -0.705  10.853
  148    HA3  GLY  19           HA3      GLY  19  -9.928  -0.551  10.261
  149    H    GLU  20           H        GLU  20 -10.362  -2.638   8.745
  150    HA   GLU  20           HA       GLU  20  -9.459  -5.029  10.081
  151    HB2  GLU  20           HB2      GLU  20 -11.719  -5.829  10.493
  152    HB3  GLU  20           HB3      GLU  20 -11.414  -4.348  11.386
  153    HG2  GLU  20           HG2      GLU  20 -12.739  -3.083   9.844
  154    HG3  GLU  20           HG3      GLU  20 -12.915  -4.481   8.782
  155    H    THR  21           H        THR  21 -10.909  -6.878   8.925
  156    HA   THR  21           HA       THR  21 -10.760  -6.302   6.062
  157    HB   THR  21           HB       THR  21 -10.811  -9.006   7.453
  158    HG1  THR  21           HG1      THR  21  -8.657  -7.398   6.531
  159   HG21  THR  21          HG21      THR  21 -11.475  -9.015   5.069
  160   HG22  THR  21          HG22      THR  21  -9.925  -9.822   5.306
  161   HG23  THR  21          HG23      THR  21  -9.975  -8.183   4.656
  162    H    ASP  22           H        ASP  22 -12.840  -5.213   6.262
  163    HA   ASP  22           HA       ASP  22 -15.107  -6.706   7.229
  164    HB2  ASP  22           HB2      ASP  22 -15.110  -4.324   7.637
  165    HB3  ASP  22           HB3      ASP  22 -14.946  -3.989   5.914
  166    H    GLY  23           H        GLY  23 -14.638  -5.079   4.104
  167    HA2  GLY  23           HA2      GLY  23 -15.836  -7.437   2.840
  168    HA3  GLY  23           HA3      GLY  23 -16.439  -5.818   2.485
  169    H    THR  24           H        THR  24 -13.502  -7.723   2.546
  170    HA   THR  24           HA       THR  24 -12.774  -6.760  -0.014
  171    HB   THR  24           HB       THR  24 -12.031  -4.821   1.198
  172    HG1  THR  24           HG1      THR  24 -10.586  -5.303  -0.340
  173   HG21  THR  24          HG21      THR  24 -10.374  -4.898   3.035
  174   HG22  THR  24          HG22      THR  24 -10.455  -6.658   3.020
  175   HG23  THR  24          HG23      THR  24 -11.873  -5.715   3.477
  176    H    ASP  25           H        ASP  25 -12.509  -8.788  -0.737
  177    HA   ASP  25           HA       ASP  25 -10.993 -10.787   0.625
  178    HB2  ASP  25           HB2      ASP  25 -12.607 -11.360  -1.196
  179    HB3  ASP  25           HB3      ASP  25 -11.600 -10.495  -2.347
  180    H    LEU  26           H        LEU  26  -9.107 -10.043   1.251
  181    HA   LEU  26           HA       LEU  26  -7.446  -8.474  -0.597
  182    HB2  LEU  26           HB2      LEU  26  -8.229  -7.554   1.611
  183    HB3  LEU  26           HB3      LEU  26  -7.239  -8.763   2.391
  184    HG   LEU  26           HG       LEU  26  -5.231  -7.731   1.352
  185   HD11  LEU  26          HD11      LEU  26  -5.456  -5.514   0.347
  186   HD12  LEU  26          HD12      LEU  26  -7.212  -5.635   0.465
  187   HD13  LEU  26          HD13      LEU  26  -6.320  -6.733  -0.587
  188   HD21  LEU  26          HD21      LEU  26  -5.221  -5.765   2.796
  189   HD22  LEU  26          HD22      LEU  26  -5.942  -7.151   3.615
  190   HD23  LEU  26          HD23      LEU  26  -6.971  -5.875   2.966
  191    H    SER  27           H        SER  27  -7.751 -11.531   0.683
  192    HA   SER  27           HA       SER  27  -4.889 -12.003   0.643
  193    HB2  SER  27           HB2      SER  27  -7.090 -13.915   1.410
  194    HB3  SER  27           HB3      SER  27  -5.360 -14.070   1.745
  195    HG   SER  27           HG       SER  27  -7.277 -12.389   2.883
  196    H    GLY  28           H        GLY  28  -4.510 -11.846  -1.517
  197    HA2  GLY  28           HA2      GLY  28  -4.380 -13.979  -3.122
  198    HA3  GLY  28           HA3      GLY  28  -5.956 -13.270  -3.507
  199    H    ASP  29           H        ASP  29  -4.782 -12.859  -5.644
  200    HA   ASP  29           HA       ASP  29  -2.874 -10.702  -5.491
  201    HB2  ASP  29           HB2      ASP  29  -2.642 -12.406  -7.281
  202    HB3  ASP  29           HB3      ASP  29  -4.180 -11.884  -7.958
  203    H    PHE  30           H        PHE  30  -4.143  -9.318  -4.363
  204    HA   PHE  30           HA       PHE  30  -6.506  -8.150  -5.536
  205    HB2  PHE  30           HB2      PHE  30  -6.543  -6.711  -3.552
  206    HB3  PHE  30           HB3      PHE  30  -6.338  -8.395  -3.100
  207    HD1  PHE  30           HD2      PHE  30  -4.139  -9.189  -2.276
  208    HD2  PHE  30           HD1      PHE  30  -4.867  -5.083  -3.080
  209    HE1  PHE  30           HE2      PHE  30  -2.151  -8.583  -0.973
  210    HE2  PHE  30           HE1      PHE  30  -2.877  -4.472  -1.780
  211    HZ   PHE  30           HZ       PHE  30  -1.538  -6.226  -0.692
  212    H    LEU  31           H        LEU  31  -3.367  -7.844  -6.179
  213    HA   LEU  31           HA       LEU  31  -2.781  -5.142  -6.199
  214    HB2  LEU  31           HB2      LEU  31  -1.699  -7.357  -7.912
  215    HB3  LEU  31           HB3      LEU  31  -1.162  -5.710  -8.105
  216    HG   LEU  31           HG       LEU  31  -0.413  -5.718  -5.725
  217   HD11  LEU  31          HD11      LEU  31  -0.995  -8.664  -5.858
  218   HD12  LEU  31          HD12      LEU  31  -1.810  -7.476  -4.839
  219   HD13  LEU  31          HD13      LEU  31  -0.104  -7.842  -4.576
  220   HD21  LEU  31          HD21      LEU  31   1.591  -7.062  -6.135
  221   HD22  LEU  31          HD22      LEU  31   1.156  -6.076  -7.532
  222   HD23  LEU  31          HD23      LEU  31   0.800  -7.803  -7.527
  223    H    ASP  32           H        ASP  32  -4.824  -6.824  -8.407
  224    HA   ASP  32           HA       ASP  32  -4.798  -4.546 -10.253
  225    HB2  ASP  32           HB2      ASP  32  -4.642  -6.832 -11.183
  226    HB3  ASP  32           HB3      ASP  32  -6.219  -7.208 -10.504
  227    H    LEU  33           H        LEU  33  -6.465  -5.510  -7.544
  228    HA   LEU  33           HA       LEU  33  -9.090  -4.582  -8.321
  229    HB2  LEU  33           HB2      LEU  33  -7.941  -5.413  -5.661
  230    HB3  LEU  33           HB3      LEU  33  -9.606  -4.922  -5.903
  231    HG   LEU  33           HG       LEU  33  -8.308  -7.319  -7.194
  232   HD11  LEU  33          HD11      LEU  33  -8.566  -7.584  -4.788
  233   HD12  LEU  33          HD12      LEU  33  -9.708  -8.607  -5.664
  234   HD13  LEU  33          HD13      LEU  33 -10.258  -7.102  -4.915
  235   HD21  LEU  33          HD21      LEU  33 -11.173  -6.372  -7.146
  236   HD22  LEU  33          HD22      LEU  33 -10.599  -7.883  -7.850
  237   HD23  LEU  33          HD23      LEU  33 -10.094  -6.339  -8.540
  238    H    ARG  34           H        ARG  34  -9.835  -2.591  -7.966
  239    HA   ARG  34           HA       ARG  34  -7.887  -0.530  -7.548
  240    HB2  ARG  34           HB2      ARG  34 -10.886  -0.350  -7.754
  241    HB3  ARG  34           HB3      ARG  34  -9.754   0.987  -7.893
  242    HG2  ARG  34           HG2      ARG  34  -8.834   0.062  -9.899
  243    HG3  ARG  34           HG3      ARG  34  -9.841  -1.380  -9.732
  244    HD2  ARG  34           HD2      ARG  34 -10.786   0.125 -11.361
  245    HD3  ARG  34           HD3      ARG  34 -11.834   0.002  -9.954
  246    HE   ARG  34           HE       ARG  34 -10.189   2.190  -9.542
  247   HH11  ARG  34          HH11      ARG  34 -12.426   1.232 -12.091
  248   HH12  ARG  34          HH12      ARG  34 -13.088   2.793 -12.305
  249   HH21  ARG  34          HH21      ARG  34 -11.185   4.336  -9.758
  250   HH22  ARG  34          HH22      ARG  34 -12.371   4.588 -10.950
  251    H    PHE  35           H        PHE  35  -7.610   0.774  -5.830
  252    HA   PHE  35           HA       PHE  35  -8.299   0.023  -3.252
  253    HB2  PHE  35           HB2      PHE  35  -7.561   2.739  -4.339
  254    HB3  PHE  35           HB3      PHE  35  -7.828   2.445  -2.627
  255    HD1  PHE  35           HD2      PHE  35  -6.385   0.650  -1.514
  256    HD2  PHE  35           HD1      PHE  35  -5.469   2.382  -5.284
  257    HE1  PHE  35           HE2      PHE  35  -4.040  -0.026  -1.245
  258    HE2  PHE  35           HE1      PHE  35  -3.118   1.712  -5.021
  259    HZ   PHE  35           HZ       PHE  35  -2.400   0.510  -2.998
  260    H    GLU  36           H        GLU  36  -9.922   2.269  -5.392
  261    HA   GLU  36           HA       GLU  36 -12.014   3.119  -3.774
  262    HB2  GLU  36           HB2      GLU  36 -12.018   2.547  -6.727
  263    HB3  GLU  36           HB3      GLU  36 -13.288   3.418  -5.883
  264    HG2  GLU  36           HG2      GLU  36 -11.734   5.153  -5.268
  265    HG3  GLU  36           HG3      GLU  36 -10.412   4.261  -6.018
  266    H    ASP  37           H        ASP  37 -11.586   0.023  -5.302
  267    HA   ASP  37           HA       ASP  37 -14.369  -0.732  -5.044
  268    HB2  ASP  37           HB2      ASP  37 -12.907  -1.529  -6.925
  269    HB3  ASP  37           HB3      ASP  37 -11.987  -2.464  -5.755
  270    H    ILE  38           H        ILE  38 -11.380  -1.067  -3.301
  271    HA   ILE  38           HA       ILE  38 -12.577  -3.047  -1.532
  272    HB   ILE  38           HB       ILE  38 -10.371  -3.317  -0.479
  273   HG12  ILE  38          HG12      ILE  38  -9.429  -1.229  -2.468
  274   HG13  ILE  38          HG13      ILE  38  -9.543  -1.013  -0.728
  275   HG21  ILE  38          HG21      ILE  38 -10.276  -3.446  -3.487
  276   HG22  ILE  38          HG22      ILE  38 -10.901  -4.687  -2.404
  277   HG23  ILE  38          HG23      ILE  38  -9.182  -4.291  -2.393
  278   HD11  ILE  38          HD11      ILE  38  -7.827  -2.704  -0.394
  279   HD12  ILE  38          HD12      ILE  38  -7.252  -1.400  -1.435
  280   HD13  ILE  38          HD13      ILE  38  -7.720  -2.947  -2.136
  281    H    GLY  39           H        GLY  39 -13.093  -0.045  -1.655
  282    HA2  GLY  39           HA2      GLY  39 -14.097   1.329  -0.062
  283    HA3  GLY  39           HA3      GLY  39 -13.626   0.173   1.173
  284    H    TYR  40           H        TYR  40 -11.223   1.447  -0.963
  285    HA   TYR  40           HA       TYR  40 -10.024   2.906   1.270
  286    HB2  TYR  40           HB2      TYR  40  -8.985   1.456  -1.063
  287    HB3  TYR  40           HB3      TYR  40  -8.268   3.025  -0.818
  288    HD1  TYR  40           HD1      TYR  40  -9.299   0.210   1.344
  289    HD2  TYR  40           HD2      TYR  40  -6.218   2.924   0.263
  290    HE1  TYR  40           HE1      TYR  40  -7.858  -0.782   3.040
  291    HE2  TYR  40           HE2      TYR  40  -4.755   1.930   1.985
  292    HH   TYR  40           HH       TYR  40  -5.812  -0.918   3.776
  293    H    ASP  41           H        ASP  41  -9.283   4.975   1.003
  294    HA   ASP  41           HA       ASP  41  -9.944   6.425  -1.450
  295    HB2  ASP  41           HB2      ASP  41 -10.206   7.454   1.362
  296    HB3  ASP  41           HB3      ASP  41 -10.276   8.453  -0.058
  297    H    SER  42           H        SER  42  -8.734   8.583  -1.167
  298    HA   SER  42           HA       SER  42  -6.037   8.208  -1.459
  299    HB2  SER  42           HB2      SER  42  -5.911  10.646  -1.053
  300    HB3  SER  42           HB3      SER  42  -7.201  10.179  -2.177
  301    H    LEU  43           H        LEU  43  -7.738   9.350   1.385
  302    HA   LEU  43           HA       LEU  43  -5.496   9.910   2.959
  303    HB2  LEU  43           HB2      LEU  43  -8.287   9.260   3.887
  304    HB3  LEU  43           HB3      LEU  43  -7.050  10.059   4.842
  305    HG   LEU  43           HG       LEU  43  -8.308  11.165   2.326
  306   HD11  LEU  43          HD11      LEU  43  -8.665  11.987   5.199
  307   HD12  LEU  43          HD12      LEU  43  -9.858  11.172   4.184
  308   HD13  LEU  43          HD13      LEU  43  -9.335  12.806   3.787
  309   HD21  LEU  43          HD21      LEU  43  -7.105  13.230   2.887
  310   HD22  LEU  43          HD22      LEU  43  -5.998  11.895   2.566
  311   HD23  LEU  43          HD23      LEU  43  -6.315  12.399   4.227
  312    H    ALA  44           H        ALA  44  -7.629   7.034   3.236
  313    HA   ALA  44           HA       ALA  44  -5.978   5.662   5.089
  314    HB1  ALA  44           HB1      ALA  44  -7.839   4.471   3.024
  315    HB2  ALA  44           HB2      ALA  44  -8.313   5.012   4.634
  316    HB3  ALA  44           HB3      ALA  44  -7.207   3.650   4.453
  317    H    LEU  45           H        LEU  45  -5.937   5.866   1.632
  318    HA   LEU  45           HA       LEU  45  -4.140   3.761   1.104
  319    HB2  LEU  45           HB2      LEU  45  -5.777   5.059  -0.355
  320    HB3  LEU  45           HB3      LEU  45  -4.558   6.260  -0.574
  321    HG   LEU  45           HG       LEU  45  -4.615   3.389  -1.499
  322   HD11  LEU  45          HD11      LEU  45  -5.894   4.908  -2.815
  323   HD12  LEU  45          HD12      LEU  45  -4.477   4.360  -3.711
  324   HD13  LEU  45          HD13      LEU  45  -4.502   5.977  -2.999
  325   HD21  LEU  45          HD21      LEU  45  -2.323   3.858  -0.805
  326   HD22  LEU  45          HD22      LEU  45  -2.309   5.312  -1.814
  327   HD23  LEU  45          HD23      LEU  45  -2.448   3.712  -2.557
  328    H    MET  46           H        MET  46  -3.708   7.265   1.580
  329    HA   MET  46           HA       MET  46  -0.907   7.394   1.322
  330    HB2  MET  46           HB2      MET  46  -2.737   9.087   3.038
  331    HB3  MET  46           HB3      MET  46  -1.047   9.451   2.734
  332    HG2  MET  46           HG2      MET  46  -1.502   9.709   0.387
  333    HG3  MET  46           HG3      MET  46  -3.192   9.278   0.647
  334    HE1  MET  46           HE1      MET  46  -4.124  11.464  -0.493
  335    HE2  MET  46           HE2      MET  46  -2.466  11.921  -0.891
  336    HE3  MET  46           HE3      MET  46  -3.544  13.090  -0.126
  337    H    GLU  47           H        GLU  47  -2.991   6.760   4.041
  338    HA   GLU  47           HA       GLU  47  -1.111   6.550   6.071
  339    HB2  GLU  47           HB2      GLU  47  -3.785   5.539   5.535
  340    HB3  GLU  47           HB3      GLU  47  -2.956   4.759   6.887
  341    HG2  GLU  47           HG2      GLU  47  -3.554   7.689   6.514
  342    HG3  GLU  47           HG3      GLU  47  -4.343   6.589   7.648
  343    H    THR  48           H        THR  48  -2.212   4.065   3.809
  344    HA   THR  48           HA       THR  48  -0.662   1.953   4.763
  345    HB   THR  48           HB       THR  48  -1.684   2.650   2.012
  346    HG1  THR  48           HG1      THR  48  -2.569   1.271   4.248
  347   HG21  THR  48          HG21      THR  48   0.223   1.126   1.766
  348   HG22  THR  48          HG22      THR  48  -1.278   0.279   1.408
  349   HG23  THR  48          HG23      THR  48  -0.470   0.029   2.962
  350    H    ALA  49           H        ALA  49   0.023   4.298   2.163
  351    HA   ALA  49           HA       ALA  49   2.600   3.446   1.536
  352    HB1  ALA  49           HB1      ALA  49   1.504   6.258   1.412
  353    HB2  ALA  49           HB2      ALA  49   1.305   5.025   0.169
  354    HB3  ALA  49           HB3      ALA  49   2.914   5.650   0.541
  355    H    ALA  50           H        ALA  50   1.563   6.007   3.756
  356    HA   ALA  50           HA       ALA  50   4.032   6.847   4.687
  357    HB1  ALA  50           HB1      ALA  50   1.936   8.060   5.057
  358    HB2  ALA  50           HB2      ALA  50   2.837   7.834   6.556
  359    HB3  ALA  50           HB3      ALA  50   1.431   6.827   6.213
  360    H    ARG  51           H        ARG  51   2.017   4.242   5.813
  361    HA   ARG  51           HA       ARG  51   3.383   3.540   8.176
  362    HB2  ARG  51           HB2      ARG  51   1.192   2.648   7.573
  363    HB3  ARG  51           HB3      ARG  51   1.890   1.821   6.193
  364    HG2  ARG  51           HG2      ARG  51   3.319   0.562   7.900
  365    HG3  ARG  51           HG3      ARG  51   2.191   1.193   9.109
  366    HD2  ARG  51           HD2      ARG  51   0.327   0.241   7.841
  367    HD3  ARG  51           HD3      ARG  51   1.464  -0.415   6.672
  368    HE   ARG  51           HE       ARG  51   0.992  -1.299   9.401
  369   HH11  ARG  51          HH11      ARG  51   2.963  -1.736   6.516
  370   HH12  ARG  51          HH12      ARG  51   3.214  -3.410   6.729
  371   HH21  ARG  51          HH21      ARG  51   1.270  -3.590   9.684
  372   HH22  ARG  51          HH22      ARG  51   2.285  -4.472   8.620
  373    H    LEU  52           H        LEU  52   3.655   2.326   4.855
  374    HA   LEU  52           HA       LEU  52   5.767   0.544   5.467
  375    HB2  LEU  52           HB2      LEU  52   5.087   1.550   2.674
  376    HB3  LEU  52           HB3      LEU  52   5.878   0.046   3.132
  377    HG   LEU  52           HG       LEU  52   2.994   0.663   3.700
  378   HD11  LEU  52          HD11      LEU  52   2.536  -1.016   2.003
  379   HD12  LEU  52          HD12      LEU  52   4.263  -1.166   1.688
  380   HD13  LEU  52          HD13      LEU  52   3.430   0.348   1.321
  381   HD21  LEU  52          HD21      LEU  52   4.625  -1.841   4.065
  382   HD22  LEU  52          HD22      LEU  52   2.884  -1.694   4.309
  383   HD23  LEU  52          HD23      LEU  52   4.001  -0.811   5.351
  384    H    GLU  53           H        GLU  53   5.621   3.876   4.394
  385    HA   GLU  53           HA       GLU  53   8.299   4.309   3.728
  386    HB2  GLU  53           HB2      GLU  53   6.421   6.126   5.148
  387    HB3  GLU  53           HB3      GLU  53   7.953   6.654   4.475
  388    HG2  GLU  53           HG2      GLU  53   7.078   6.039   2.235
  389    HG3  GLU  53           HG3      GLU  53   5.527   5.664   2.995
  390    H    SER  54           H        SER  54   6.736   4.920   6.875
  391    HA   SER  54           HA       SER  54   9.066   5.564   8.234
  392    HB2  SER  54           HB2      SER  54   6.517   4.401   9.365
  393    HB3  SER  54           HB3      SER  54   7.700   5.405  10.212
  394    HG   SER  54           HG       SER  54   7.191   7.095   8.714
  395    H    ARG  55           H        ARG  55   7.315   2.468   8.012
  396    HA   ARG  55           HA       ARG  55   9.039   1.121   9.778
  397    HB2  ARG  55           HB2      ARG  55   6.808   0.289   9.460
  398    HB3  ARG  55           HB3      ARG  55   7.097   0.030   7.747
  399    HG2  ARG  55           HG2      ARG  55   8.563  -1.791   8.181
  400    HG3  ARG  55           HG3      ARG  55   8.603  -1.430   9.907
  401    HD2  ARG  55           HD2      ARG  55   6.146  -2.294   8.375
  402    HD3  ARG  55           HD3      ARG  55   7.153  -3.367   9.351
  403    HE   ARG  55           HE       ARG  55   6.347  -1.146  10.889
  404   HH11  ARG  55          HH11      ARG  55   4.929  -4.167   9.613
  405   HH12  ARG  55          HH12      ARG  55   3.774  -4.258  10.862
  406   HH21  ARG  55          HH21      ARG  55   4.836  -1.341  12.550
  407   HH22  ARG  55          HH22      ARG  55   3.771  -2.670  12.607
  408    H    TYR  56           H        TYR  56   9.073   1.211   6.194
  409    HA   TYR  56           HA       TYR  56  11.357  -0.605   6.344
  410    HB2  TYR  56           HB2      TYR  56   9.705   0.155   3.939
  411    HB3  TYR  56           HB3      TYR  56  11.019  -1.019   3.952
  412    HD1  TYR  56           HD2      TYR  56  10.766  -3.128   5.284
  413    HD2  TYR  56           HD1      TYR  56   7.545  -0.425   4.687
  414    HE1  TYR  56           HE2      TYR  56   9.173  -4.873   5.976
  415    HE2  TYR  56           HE1      TYR  56   5.955  -2.141   5.367
  416    HH   TYR  56           HH       TYR  56   5.786  -4.493   5.539
  417    H    GLY  57           H        GLY  57  10.793   2.702   5.877
  418    HA2  GLY  57           HA2      GLY  57  12.513   4.270   5.746
  419    HA3  GLY  57           HA3      GLY  57  13.600   3.013   5.174
  420    H    VAL  58           H        VAL  58  10.468   3.526   3.817
  421    HA   VAL  58           HA       VAL  58  11.766   4.348   1.325
  422    HB   VAL  58           HB       VAL  58   9.800   3.608   0.075
  423   HG11  VAL  58          HG11      VAL  58  10.605   1.587   2.098
  424   HG12  VAL  58          HG12      VAL  58  11.457   1.930   0.571
  425   HG13  VAL  58          HG13      VAL  58   9.813   1.246   0.561
  426   HG21  VAL  58          HG21      VAL  58   7.926   2.476   1.146
  427   HG22  VAL  58          HG22      VAL  58   8.062   4.152   1.679
  428   HG23  VAL  58          HG23      VAL  58   8.606   2.845   2.730
  429    H    SER  59           H        SER  59  10.112   5.758  -0.093
  430    HA   SER  59           HA       SER  59   8.620   7.545   1.593
  431    HB2  SER  59           HB2      SER  59  10.979   8.455   1.477
  432    HB3  SER  59           HB3      SER  59  10.772   8.609  -0.266
  433    HG   SER  59           HG       SER  59   9.224   9.885   1.749
  434    H    ILE  60           H        ILE  60   6.803   8.029   0.639
  435    HA   ILE  60           HA       ILE  60   6.505   7.877  -2.284
  436    HB   ILE  60           HB       ILE  60   4.558   6.689  -0.233
  437   HG12  ILE  60          HG12      ILE  60   4.716   4.563  -1.535
  438   HG13  ILE  60          HG13      ILE  60   5.969   5.288  -2.546
  439   HG21  ILE  60          HG21      ILE  60   3.290   7.886  -1.877
  440   HG22  ILE  60          HG22      ILE  60   3.061   6.151  -2.098
  441   HG23  ILE  60          HG23      ILE  60   4.121   7.045  -3.186
  442   HD11  ILE  60          HD11      ILE  60   7.381   5.421  -0.555
  443   HD12  ILE  60          HD12      ILE  60   6.861   3.774  -0.914
  444   HD13  ILE  60          HD13      ILE  60   6.089   4.679   0.387
  445    HA   PRO  61           HA       PRO  61   5.057  11.980  -1.118
  446    HB2  PRO  61           HB2      PRO  61   4.272  11.982  -3.986
  447    HB3  PRO  61           HB3      PRO  61   5.225  13.165  -3.080
  448    HG2  PRO  61           HG2      PRO  61   6.409  11.510  -4.789
  449    HG3  PRO  61           HG3      PRO  61   7.175  11.915  -3.241
  450    HD2  PRO  61           HD2      PRO  61   5.697   9.437  -4.033
  451    HD3  PRO  61           HD3      PRO  61   7.177   9.606  -3.062
  452    H    ASP  62           H        ASP  62   3.119  12.864  -0.735
  453    HA   ASP  62           HA       ASP  62   0.938  11.200  -0.172
  454    HB2  ASP  62           HB2      ASP  62   0.916  14.214  -0.441
  455    HB3  ASP  62           HB3      ASP  62  -0.309  13.246   0.365
  456    H    ASP  63           H        ASP  63   1.513  13.365  -2.880
  457    HA   ASP  63           HA       ASP  63  -1.141  13.209  -3.904
  458    HB2  ASP  63           HB2      ASP  63  -0.320  14.460  -5.774
  459    HB3  ASP  63           HB3      ASP  63   0.484  15.089  -4.341
  460    H    VAL  64           H        VAL  64   1.793  11.443  -4.343
  461    HA   VAL  64           HA       VAL  64   0.972   9.951  -6.663
  462    HB   VAL  64           HB       VAL  64   3.096   9.343  -4.605
  463   HG11  VAL  64          HG11      VAL  64   4.124   7.982  -6.411
  464   HG12  VAL  64          HG12      VAL  64   2.757   8.365  -7.456
  465   HG13  VAL  64          HG13      VAL  64   2.510   7.402  -5.998
  466   HG21  VAL  64          HG21      VAL  64   4.690  10.350  -6.201
  467   HG22  VAL  64          HG22      VAL  64   3.502  11.510  -5.607
  468   HG23  VAL  64          HG23      VAL  64   3.336  10.828  -7.224
  469    H    ALA  65           H        ALA  65   1.086   9.404  -3.190
  470    HA   ALA  65           HA       ALA  65  -0.005   6.836  -3.155
  471    HB1  ALA  65           HB1      ALA  65  -0.682   7.349  -0.842
  472    HB2  ALA  65           HB2      ALA  65  -0.328   9.059  -1.144
  473    HB3  ALA  65           HB3      ALA  65   0.969   7.869  -1.181
  474    H    GLY  66           H        GLY  66  -1.559   9.992  -3.415
  475    HA2  GLY  66           HA2      GLY  66  -4.213   8.798  -3.409
  476    HA3  GLY  66           HA3      GLY  66  -3.841  10.505  -3.601
  477    H    ARG  67           H        ARG  67  -1.869   8.890  -5.655
  478    HA   ARG  67           HA       ARG  67  -3.569   9.506  -7.960
  479    HB2  ARG  67           HB2      ARG  67  -1.427  10.598  -7.967
  480    HB3  ARG  67           HB3      ARG  67  -0.595   9.089  -7.653
  481    HG2  ARG  67           HG2      ARG  67  -1.261   8.297  -9.893
  482    HG3  ARG  67           HG3      ARG  67  -2.024   9.862 -10.189
  483    HD2  ARG  67           HD2      ARG  67   0.081  10.995  -9.987
  484    HD3  ARG  67           HD3      ARG  67   0.882   9.513  -9.468
  485    HE   ARG  67           HE       ARG  67  -0.239   9.024 -11.956
  486   HH11  ARG  67          HH11      ARG  67   2.229  11.238 -10.632
  487   HH12  ARG  67          HH12      ARG  67   3.204  11.225 -12.030
  488   HH21  ARG  67          HH21      ARG  67   1.175   8.950 -13.889
  489   HH22  ARG  67          HH22      ARG  67   2.626   9.838 -13.893
  490    H    VAL  68           H        VAL  68  -1.962   6.875  -6.372
  491    HA   VAL  68           HA       VAL  68  -2.132   5.097  -8.610
  492    HB   VAL  68           HB       VAL  68  -1.364   3.336  -6.935
  493   HG11  VAL  68          HG11      VAL  68   0.902   4.273  -6.799
  494   HG12  VAL  68          HG12      VAL  68   0.265   5.864  -7.211
  495   HG13  VAL  68          HG13      VAL  68   0.181   4.550  -8.382
  496   HG21  VAL  68          HG21      VAL  68  -0.508   4.138  -4.791
  497   HG22  VAL  68          HG22      VAL  68  -2.247   4.434  -4.905
  498   HG23  VAL  68          HG23      VAL  68  -1.101   5.757  -5.158
  499    H    ASP  69           H        ASP  69  -3.762   4.026  -9.255
  500    HA   ASP  69           HA       ASP  69  -6.156   3.746  -7.634
  501    HB2  ASP  69           HB2      ASP  69  -6.450   4.445  -9.914
  502    HB3  ASP  69           HB3      ASP  69  -5.558   3.053 -10.502
  503    H    THR  70           H        THR  70  -3.740   1.581  -9.109
  504    HA   THR  70           HA       THR  70  -5.112  -0.555  -7.682
  505    HB   THR  70           HB       THR  70  -3.880  -2.166  -9.130
  506    HG1  THR  70           HG1      THR  70  -2.837   0.234 -10.232
  507   HG21  THR  70          HG21      THR  70  -5.130  -1.692 -11.208
  508   HG22  THR  70          HG22      THR  70  -5.467  -0.063 -10.602
  509   HG23  THR  70          HG23      THR  70  -6.118  -1.466  -9.762
  510    HA   PRO  71           HA       PRO  71  -2.136  -0.805  -4.459
  511    HB2  PRO  71           HB2      PRO  71  -2.484  -3.749  -4.828
  512    HB3  PRO  71           HB3      PRO  71  -2.592  -2.779  -3.354
  513    HG2  PRO  71           HG2      PRO  71  -4.793  -3.627  -4.510
  514    HG3  PRO  71           HG3      PRO  71  -4.703  -1.966  -3.890
  515    HD2  PRO  71           HD2      PRO  71  -4.496  -2.952  -6.702
  516    HD3  PRO  71           HD3      PRO  71  -5.331  -1.520  -6.070
  517    H    ARG  72           H        ARG  72  -1.778  -2.850  -7.264
  518    HA   ARG  72           HA       ARG  72   0.811  -3.780  -6.969
  519    HB2  ARG  72           HB2      ARG  72  -0.719  -4.464  -8.777
  520    HB3  ARG  72           HB3      ARG  72  -0.522  -2.890  -9.531
  521    HG2  ARG  72           HG2      ARG  72   1.812  -3.307  -9.883
  522    HG3  ARG  72           HG3      ARG  72   1.668  -4.874  -9.080
  523    HD2  ARG  72           HD2      ARG  72   0.126  -5.629 -10.786
  524    HD3  ARG  72           HD3      ARG  72   0.186  -4.046 -11.566
  525    HE   ARG  72           HE       ARG  72   2.751  -5.052 -11.238
  526   HH11  ARG  72          HH11      ARG  72  -0.157  -5.802 -13.127
  527   HH12  ARG  72          HH12      ARG  72   0.681  -6.249 -14.525
  528   HH21  ARG  72          HH21      ARG  72   3.928  -5.633 -13.227
  529   HH22  ARG  72          HH22      ARG  72   3.028  -6.201 -14.591
  530    H    GLU  73           H        GLU  73  -0.309  -0.720  -8.298
  531    HA   GLU  73           HA       GLU  73   2.173   0.319  -9.122
  532    HB2  GLU  73           HB2      GLU  73  -0.325   1.749  -8.247
  533    HB3  GLU  73           HB3      GLU  73   1.000   2.454  -9.162
  534    HG2  GLU  73           HG2      GLU  73   0.534   1.058 -11.035
  535    HG3  GLU  73           HG3      GLU  73  -0.665   0.148 -10.109
  536    H    LEU  74           H        LEU  74   0.348   0.589  -6.137
  537    HA   LEU  74           HA       LEU  74   2.066   2.486  -4.892
  538    HB2  LEU  74           HB2      LEU  74  -0.351   2.026  -4.282
  539    HB3  LEU  74           HB3      LEU  74   0.159   0.512  -3.588
  540    HG   LEU  74           HG       LEU  74  -0.354   2.312  -1.931
  541   HD11  LEU  74          HD11      LEU  74   1.574   1.988  -0.478
  542   HD12  LEU  74          HD12      LEU  74   2.485   1.329  -1.838
  543   HD13  LEU  74          HD13      LEU  74   1.065   0.479  -1.238
  544   HD21  LEU  74          HD21      LEU  74   0.470   4.227  -3.155
  545   HD22  LEU  74          HD22      LEU  74   2.120   3.615  -3.050
  546   HD23  LEU  74          HD23      LEU  74   1.272   4.116  -1.587
  547    H    LEU  75           H        LEU  75   1.733  -1.023  -4.731
  548    HA   LEU  75           HA       LEU  75   3.765  -1.616  -2.923
  549    HB2  LEU  75           HB2      LEU  75   2.066  -3.209  -3.785
  550    HB3  LEU  75           HB3      LEU  75   2.895  -3.217  -5.325
  551    HG   LEU  75           HG       LEU  75   4.880  -4.191  -4.238
  552   HD11  LEU  75          HD11      LEU  75   3.104  -4.279  -1.810
  553   HD12  LEU  75          HD12      LEU  75   4.552  -3.292  -2.010
  554   HD13  LEU  75          HD13      LEU  75   4.683  -5.050  -1.955
  555   HD21  LEU  75          HD21      LEU  75   3.923  -6.414  -3.868
  556   HD22  LEU  75          HD22      LEU  75   3.215  -5.640  -5.285
  557   HD23  LEU  75          HD23      LEU  75   2.311  -5.705  -3.772
  558    H    ASP  76           H        ASP  76   3.836  -1.162  -6.401
  559    HA   ASP  76           HA       ASP  76   6.530  -1.796  -6.853
  560    HB2  ASP  76           HB2      ASP  76   4.848  -1.659  -8.646
  561    HB3  ASP  76           HB3      ASP  76   4.736   0.080  -8.406
  562    H    LEU  77           H        LEU  77   4.955   1.234  -6.027
  563    HA   LEU  77           HA       LEU  77   7.151   2.990  -6.219
  564    HB2  LEU  77           HB2      LEU  77   4.840   3.047  -4.282
  565    HB3  LEU  77           HB3      LEU  77   5.938   4.377  -4.567
  566    HG   LEU  77           HG       LEU  77   4.104   3.210  -6.649
  567   HD11  LEU  77          HD11      LEU  77   2.854   4.239  -4.837
  568   HD12  LEU  77          HD12      LEU  77   2.776   5.226  -6.296
  569   HD13  LEU  77          HD13      LEU  77   3.841   5.692  -4.971
  570   HD21  LEU  77          HD21      LEU  77   5.771   5.727  -6.610
  571   HD22  LEU  77          HD22      LEU  77   4.661   5.241  -7.891
  572   HD23  LEU  77          HD23      LEU  77   6.104   4.281  -7.565
  573    H    ILE  78           H        ILE  78   6.020   0.920  -3.641
  574    HA   ILE  78           HA       ILE  78   7.905   1.643  -1.647
  575    HB   ILE  78           HB       ILE  78   6.695  -1.111  -2.028
  576   HG12  ILE  78          HG12      ILE  78   4.871   0.553  -2.053
  577   HG13  ILE  78          HG13      ILE  78   4.825  -0.434  -0.603
  578   HG21  ILE  78          HG21      ILE  78   7.670   0.343   0.426
  579   HG22  ILE  78          HG22      ILE  78   8.468  -1.000  -0.390
  580   HG23  ILE  78          HG23      ILE  78   6.921  -1.253   0.421
  581   HD11  ILE  78          HD11      ILE  78   5.870   2.375  -0.803
  582   HD12  ILE  78          HD12      ILE  78   5.826   1.392   0.662
  583   HD13  ILE  78          HD13      ILE  78   4.322   1.883  -0.118
  584    H    ASN  79           H        ASN  79   7.722  -1.099  -3.887
  585    HA   ASN  79           HA       ASN  79  10.148  -2.355  -3.284
  586    HB2  ASN  79           HB2      ASN  79   8.507  -2.382  -5.806
  587    HB3  ASN  79           HB3      ASN  79  10.020  -3.258  -5.696
  588   HD21  ASN  79          HD21      ASN  79   7.671  -2.969  -3.041
  589   HD22  ASN  79          HD22      ASN  79   7.234  -4.648  -3.080
  590    H    GLY  80           H        GLY  80   9.515   0.204  -5.605
  591    HA2  GLY  80           HA2      GLY  80  12.066   0.223  -6.813
  592    HA3  GLY  80           HA3      GLY  80  10.938   1.572  -6.777
  593    H    ALA  81           H        ALA  81  10.771   2.009  -4.059
  594    HA   ALA  81           HA       ALA  81  13.138   3.528  -3.649
  595    HB1  ALA  81           HB1      ALA  81  10.890   2.949  -1.716
  596    HB2  ALA  81           HB2      ALA  81  10.944   4.295  -2.855
  597    HB3  ALA  81           HB3      ALA  81  12.114   4.206  -1.538
  598    H    LEU  82           H        LEU  82  11.906   0.509  -2.400
  599    HA   LEU  82           HA       LEU  82  13.727  -0.005  -0.336
  600    HB2  LEU  82           HB2      LEU  82  12.275  -1.886  -2.189
  601    HB3  LEU  82           HB3      LEU  82  13.223  -2.431  -0.825
  602    HG   LEU  82           HG       LEU  82  10.849  -0.587  -0.551
  603   HD11  LEU  82          HD11      LEU  82   9.607  -2.562   0.154
  604   HD12  LEU  82          HD12      LEU  82  10.993  -3.584  -0.231
  605   HD13  LEU  82          HD13      LEU  82  10.143  -2.723  -1.515
  606   HD21  LEU  82          HD21      LEU  82  12.449  -0.536   1.291
  607   HD22  LEU  82          HD22      LEU  82  12.356  -2.293   1.426
  608   HD23  LEU  82          HD23      LEU  82  10.939  -1.303   1.780
  609    H    ALA  83           H        ALA  83  13.899  -0.889  -3.766
  610    HA   ALA  83           HA       ALA  83  16.380  -2.232  -3.654
  611    HB1  ALA  83           HB1      ALA  83  15.129  -0.793  -5.986
  612    HB2  ALA  83           HB2      ALA  83  14.816  -2.466  -5.526
  613    HB3  ALA  83           HB3      ALA  83  16.421  -1.988  -6.077
  614    H    GLU  84           H        GLU  84  15.519   1.081  -3.993
  615    HA   GLU  84           HA       GLU  84  18.089   1.980  -4.826
  616    HB2  GLU  84           HB2      GLU  84  16.077   3.153  -5.467
  617    HB3  GLU  84           HB3      GLU  84  15.691   3.459  -3.782
  618    HG2  GLU  84           HG2      GLU  84  17.660   4.853  -3.573
  619    HG3  GLU  84           HG3      GLU  84  18.071   4.534  -5.261
  620    H    ALA  85           H        ALA  85  16.246   2.482  -1.785
  621    HA   ALA  85           HA       ALA  85  18.530   2.139  -0.148
  622    HB1  ALA  85           HB1      ALA  85  19.112   4.353  -1.039
  623    HB2  ALA  85           HB2      ALA  85  18.731   4.438   0.681
  624    HB3  ALA  85           HB3      ALA  85  17.549   4.979  -0.511
  625    H    ALA  86           H        ALA  86  17.532   1.106   1.441
  626    HA   ALA  86           HA       ALA  86  15.091   2.291   2.532
  627    HB1  ALA  86           HB1      ALA  86  14.585   0.201   1.348
  628    HB2  ALA  86           HB2      ALA  86  14.348   0.017   3.086
  629    HB3  ALA  86           HB3      ALA  86  15.793  -0.644   2.318
  630    H28  SXA  87          H28A      SXA  87  -9.746  12.694  -3.264
  631   H28A  SXA  87          H28B      SXA  87  -9.770  13.932  -2.001
  632    H30  SXA  87          H30A      SXA  87  -8.050  15.645  -1.877
  633   H30A  SXA  87          H30B      SXA  87  -6.738  15.714  -3.054
  634   H30B  SXA  87          H30C      SXA  87  -6.810  14.389  -1.892
  635    H31  SXA  87          H31A      SXA  87  -6.670  14.013  -4.958
  636   H31A  SXA  87          H31B      SXA  87  -7.905  12.756  -5.018
  637   H31B  SXA  87          H31C      SXA  87  -6.699  12.742  -3.733
  638    H32  SXA  87          H32A      SXA  87  -9.728  15.835  -3.823
  639   HO33  SXA  87          H33A      SXA  87  -9.701  14.662  -6.135
  640   HN36  SXA  87          H36A      SXA  87  -7.440  16.998  -3.908
  641    H37  SXA  87          H37A      SXA  87  -6.155  17.213  -6.492
  642   H37A  SXA  87          H37B      SXA  87  -7.098  18.624  -6.014
  643    H38  SXA  87          H38A      SXA  87  -4.741  18.903  -5.432
  644   H38A  SXA  87          H38B      SXA  87  -5.746  18.858  -3.991
  645   HN41  SXA  87          H41A      SXA  87  -3.528  18.518  -3.165
  646    H42  SXA  87          H42A      SXA  87  -3.113  15.751  -2.458
  647   H42A  SXA  87          H42B      SXA  87  -1.767  16.517  -3.314
  648    H43  SXA  87          H43A      SXA  87  -3.030  17.524  -0.762
  649   H43A  SXA  87          H43B      SXA  87  -1.652  18.254  -1.600
  650    H2   SXA  87           H2C      SXA  87   0.936  17.410   2.023
  651    H2A  SXA  87           H2A      SXA  87   0.411  15.775   1.604
  652    H2B  SXA  87           H2B      SXA  87  -0.460  16.693   2.838
  Start of MODEL   14
    1    H1   MET   1           H1       MET   1  20.194  -3.899   1.141
    2    H2   MET   1           H2       MET   1  20.714  -4.629   2.552
    3    H3   MET   1           H3       MET   1  19.247  -3.779   2.521
    4    HA   MET   1           HA       MET   1  19.853  -6.227   0.979
    5    HB2  MET   1           HB2      MET   1  18.124  -5.851   3.435
    6    HB3  MET   1           HB3      MET   1  18.110  -7.294   2.436
    7    HG2  MET   1           HG2      MET   1  20.459  -6.228   3.978
    8    HG3  MET   1           HG3      MET   1  19.451  -7.608   4.427
    9    HE1  MET   1           HE1      MET   1  20.287 -10.181   1.584
   10    HE2  MET   1           HE2      MET   1  18.955  -9.025   1.614
   11    HE3  MET   1           HE3      MET   1  19.388  -9.908   3.077
   12    H    ALA   2           H        ALA   2  17.142  -4.324   2.271
   13    HA   ALA   2           HA       ALA   2  15.312  -3.485   1.402
   14    HB1  ALA   2           HB1      ALA   2  16.432  -4.079  -1.339
   15    HB2  ALA   2           HB2      ALA   2  16.661  -2.572  -0.449
   16    HB3  ALA   2           HB3      ALA   2  15.046  -3.049  -0.977
   17    H    THR   3           H        THR   3  14.103  -4.993   2.331
   18    HA   THR   3           HA       THR   3  13.581  -7.516   1.140
   19    HB   THR   3           HB       THR   3  11.734  -7.431   2.917
   20    HG1  THR   3           HG1      THR   3  11.716  -5.147   2.933
   21   HG21  THR   3          HG21      THR   3  13.914  -8.518   3.313
   22   HG22  THR   3          HG22      THR   3  13.334  -7.715   4.772
   23   HG23  THR   3          HG23      THR   3  14.596  -6.965   3.795
   24    H    LEU   4           H        LEU   4  12.588  -7.455  -0.769
   25    HA   LEU   4           HA       LEU   4  10.831  -5.407  -1.618
   26    HB2  LEU   4           HB2      LEU   4  11.160  -8.184  -2.757
   27    HB3  LEU   4           HB3      LEU   4  10.365  -6.844  -3.540
   28    HG   LEU   4           HG       LEU   4  13.311  -6.969  -2.892
   29   HD11  LEU   4          HD11      LEU   4  12.696  -8.500  -4.672
   30   HD12  LEU   4          HD12      LEU   4  13.608  -7.132  -5.308
   31   HD13  LEU   4          HD13      LEU   4  11.858  -7.200  -5.519
   32   HD21  LEU   4          HD21      LEU   4  11.718  -4.901  -4.411
   33   HD22  LEU   4          HD22      LEU   4  13.474  -4.926  -4.237
   34   HD23  LEU   4          HD23      LEU   4  12.451  -4.683  -2.820
   35    H    LEU   5           H        LEU   5   8.640  -5.509  -1.907
   36    HA   LEU   5           HA       LEU   5   7.385  -6.907   0.280
   37    HB2  LEU   5           HB2      LEU   5   6.072  -5.125  -1.735
   38    HB3  LEU   5           HB3      LEU   5   5.431  -5.642  -0.196
   39    HG   LEU   5           HG       LEU   5   7.565  -3.632  -0.756
   40   HD11  LEU   5          HD11      LEU   5   5.278  -2.886  -0.869
   41   HD12  LEU   5          HD12      LEU   5   6.078  -2.201   0.546
   42   HD13  LEU   5          HD13      LEU   5   4.958  -3.553   0.732
   43   HD21  LEU   5          HD21      LEU   5   6.841  -4.832   1.911
   44   HD22  LEU   5          HD22      LEU   5   7.895  -3.440   1.656
   45   HD23  LEU   5          HD23      LEU   5   8.375  -5.032   1.065
   46    H    THR   6           H        THR   6   5.927  -8.436   0.124
   47    HA   THR   6           HA       THR   6   5.318  -9.485  -2.524
   48    HB   THR   6           HB       THR   6   4.427 -11.460  -1.243
   49    HG1  THR   6           HG1      THR   6   5.541 -10.049   1.000
   50   HG21  THR   6          HG21      THR   6   6.725 -11.512  -2.111
   51   HG22  THR   6          HG22      THR   6   6.623 -12.367  -0.572
   52   HG23  THR   6          HG23      THR   6   7.306 -10.741  -0.635
   53    H    THR   7           H        THR   7   2.855 -10.580  -2.157
   54    HA   THR   7           HA       THR   7   1.041  -8.476  -2.179
   55    HB   THR   7           HB       THR   7   0.475 -11.357  -1.444
   56    HG1  THR   7           HG1      THR   7   1.327 -11.813  -3.270
   57   HG21  THR   7          HG21      THR   7  -1.435  -9.807  -1.344
   58   HG22  THR   7          HG22      THR   7  -1.617 -10.949  -2.674
   59   HG23  THR   7          HG23      THR   7  -1.106  -9.291  -2.999
   60    H    ASP   8           H        ASP   8   2.162 -10.643   0.348
   61    HA   ASP   8           HA       ASP   8   0.292 -10.024   2.364
   62    HB2  ASP   8           HB2      ASP   8   1.632 -12.031   2.477
   63    HB3  ASP   8           HB3      ASP   8   3.104 -11.071   2.610
   64    H    ASP   9           H        ASP   9   3.504  -8.706   1.692
   65    HA   ASP   9           HA       ASP   9   3.728  -7.092   4.024
   66    HB2  ASP   9           HB2      ASP   9   4.940  -6.613   1.297
   67    HB3  ASP   9           HB3      ASP   9   5.408  -5.775   2.762
   68    H    LEU  10           H        LEU  10   2.611  -6.469   0.786
   69    HA   LEU  10           HA       LEU  10   1.972  -3.758   1.088
   70    HB2  LEU  10           HB2      LEU  10   2.241  -4.961  -1.053
   71    HB3  LEU  10           HB3      LEU  10   0.781  -5.859  -0.718
   72    HG   LEU  10           HG       LEU  10  -0.520  -3.766  -0.858
   73   HD11  LEU  10          HD11      LEU  10   2.111  -2.539  -1.687
   74   HD12  LEU  10          HD12      LEU  10   1.234  -2.193  -0.199
   75   HD13  LEU  10          HD13      LEU  10   0.535  -1.753  -1.758
   76   HD21  LEU  10          HD21      LEU  10  -0.256  -5.205  -2.797
   77   HD22  LEU  10          HD22      LEU  10   1.234  -4.367  -3.231
   78   HD23  LEU  10          HD23      LEU  10  -0.306  -3.509  -3.279
   79    H    ARG  11           H        ARG  11  -0.001  -6.699   1.246
   80    HA   ARG  11           HA       ARG  11  -2.487  -5.728   1.849
   81    HB2  ARG  11           HB2      ARG  11  -1.981  -8.085   1.403
   82    HB3  ARG  11           HB3      ARG  11  -1.180  -8.208   2.962
   83    HG2  ARG  11           HG2      ARG  11  -3.329  -7.709   4.064
   84    HG3  ARG  11           HG3      ARG  11  -4.104  -7.687   2.478
   85    HD2  ARG  11           HD2      ARG  11  -4.425  -9.841   3.553
   86    HD3  ARG  11           HD3      ARG  11  -3.420 -10.010   2.117
   87    HE   ARG  11           HE       ARG  11  -1.493 -10.091   3.639
   88   HH11  ARG  11          HH11      ARG  11  -4.702 -10.957   4.894
   89   HH12  ARG  11          HH12      ARG  11  -4.106 -11.863   6.193
   90   HH21  ARG  11          HH21      ARG  11  -0.660 -11.429   5.403
   91   HH22  ARG  11          HH22      ARG  11  -1.743 -12.141   6.484
   92    H    ARG  12           H        ARG  12   0.071  -6.554   4.158
   93    HA   ARG  12           HA       ARG  12  -1.329  -6.067   6.508
   94    HB2  ARG  12           HB2      ARG  12   1.614  -5.860   5.944
   95    HB3  ARG  12           HB3      ARG  12   0.930  -5.735   7.564
   96    HG2  ARG  12           HG2      ARG  12  -0.015  -7.988   7.294
   97    HG3  ARG  12           HG3      ARG  12   0.756  -8.094   5.706
   98    HD2  ARG  12           HD2      ARG  12   2.935  -7.816   6.742
   99    HD3  ARG  12           HD3      ARG  12   2.172  -7.676   8.326
  100    HE   ARG  12           HE       ARG  12   2.215 -10.061   6.629
  101   HH11  ARG  12          HH11      ARG  12   1.929  -8.541   9.827
  102   HH12  ARG  12          HH12      ARG  12   1.971  -9.990  10.707
  103   HH21  ARG  12          HH21      ARG  12   2.243 -12.107   7.861
  104   HH22  ARG  12          HH22      ARG  12   2.114 -12.050   9.568
  105    H    ALA  13           H        ALA  13   0.402  -3.792   4.480
  106    HA   ALA  13           HA       ALA  13   0.273  -1.613   6.282
  107    HB1  ALA  13           HB1      ALA  13   1.792  -1.644   4.369
  108    HB2  ALA  13           HB2      ALA  13   0.749  -0.220   4.340
  109    HB3  ALA  13           HB3      ALA  13   0.411  -1.584   3.274
  110    H    LEU  14           H        LEU  14  -1.813  -2.728   3.664
  111    HA   LEU  14           HA       LEU  14  -3.693  -0.651   3.939
  112    HB2  LEU  14           HB2      LEU  14  -3.925  -3.380   2.679
  113    HB3  LEU  14           HB3      LEU  14  -5.299  -2.311   2.796
  114    HG   LEU  14           HG       LEU  14  -3.887  -0.631   1.469
  115   HD11  LEU  14          HD11      LEU  14  -2.307  -3.106   0.856
  116   HD12  LEU  14          HD12      LEU  14  -1.730  -1.669   1.699
  117   HD13  LEU  14          HD13      LEU  14  -2.198  -1.568   0.001
  118   HD21  LEU  14          HD21      LEU  14  -4.522  -1.654  -0.656
  119   HD22  LEU  14          HD22      LEU  14  -5.800  -1.772   0.552
  120   HD23  LEU  14          HD23      LEU  14  -4.809  -3.181   0.176
  121    H    VAL  15           H        VAL  15  -3.400  -3.815   5.421
  122    HA   VAL  15           HA       VAL  15  -5.844  -4.021   6.752
  123    HB   VAL  15           HB       VAL  15  -3.103  -4.914   7.753
  124   HG11  VAL  15          HG11      VAL  15  -4.684  -4.787   9.620
  125   HG12  VAL  15          HG12      VAL  15  -4.303  -6.462   9.230
  126   HG13  VAL  15          HG13      VAL  15  -5.840  -5.765   8.716
  127   HG21  VAL  15          HG21      VAL  15  -5.291  -6.438   6.343
  128   HG22  VAL  15          HG22      VAL  15  -3.786  -7.126   6.950
  129   HG23  VAL  15          HG23      VAL  15  -3.750  -5.940   5.645
  130    H    GLU  16           H        GLU  16  -2.875  -2.428   7.843
  131    HA   GLU  16           HA       GLU  16  -3.772  -1.457  10.292
  132    HB2  GLU  16           HB2      GLU  16  -1.811  -0.250   8.347
  133    HB3  GLU  16           HB3      GLU  16  -2.040   0.309   9.995
  134    HG2  GLU  16           HG2      GLU  16  -1.129  -2.433   9.178
  135    HG3  GLU  16           HG3      GLU  16  -0.093  -1.133   9.762
  136    H    SER  17           H        SER  17  -4.016  -0.017   7.061
  137    HA   SER  17           HA       SER  17  -5.190   2.408   8.024
  138    HB2  SER  17           HB2      SER  17  -5.030   1.348   5.222
  139    HB3  SER  17           HB3      SER  17  -5.228   3.029   5.732
  140    HG   SER  17           HG       SER  17  -3.154   2.298   6.994
  141    H    ALA  18           H        ALA  18  -6.410  -0.669   7.293
  142    HA   ALA  18           HA       ALA  18  -9.017   0.096   6.399
  143    HB1  ALA  18           HB1      ALA  18  -8.100  -2.121   5.887
  144    HB2  ALA  18           HB2      ALA  18  -9.613  -2.260   6.783
  145    HB3  ALA  18           HB3      ALA  18  -8.073  -2.510   7.608
  146    H    GLY  19           H        GLY  19  -7.446  -0.440   9.450
  147    HA2  GLY  19           HA2      GLY  19  -8.574   1.019  11.155
  148    HA3  GLY  19           HA3      GLY  19  -9.996   0.053  10.793
  149    H    GLU  20           H        GLU  20 -10.293  -1.783  11.810
  150    HA   GLU  20           HA       GLU  20  -8.293  -2.442  13.871
  151    HB2  GLU  20           HB2      GLU  20 -11.295  -2.731  13.933
  152    HB3  GLU  20           HB3      GLU  20 -10.202  -3.205  15.227
  153    HG2  GLU  20           HG2      GLU  20  -9.468  -0.866  15.436
  154    HG3  GLU  20           HG3      GLU  20 -10.620  -0.416  14.184
  155    H    THR  21           H        THR  21  -8.323  -3.502  11.258
  156    HA   THR  21           HA       THR  21  -7.932  -5.417  10.162
  157    HB   THR  21           HB       THR  21  -8.081  -6.817  12.861
  158    HG1  THR  21           HG1      THR  21  -6.379  -4.962  12.048
  159   HG21  THR  21          HG21      THR  21  -6.692  -7.584  10.277
  160   HG22  THR  21          HG22      THR  21  -8.141  -8.353  10.931
  161   HG23  THR  21          HG23      THR  21  -6.610  -8.481  11.793
  162    H    ASP  22           H        ASP  22 -10.140  -4.845   9.400
  163    HA   ASP  22           HA       ASP  22 -12.111  -6.861  10.007
  164    HB2  ASP  22           HB2      ASP  22 -13.458  -5.685   8.218
  165    HB3  ASP  22           HB3      ASP  22 -12.993  -4.641   9.554
  166    H    GLY  23           H        GLY  23 -10.480  -5.745   7.072
  167    HA2  GLY  23           HA2      GLY  23  -9.263  -7.038   5.570
  168    HA3  GLY  23           HA3      GLY  23  -9.895  -8.494   6.343
  169    H    THR  24           H        THR  24 -11.212  -5.632   4.755
  170    HA   THR  24           HA       THR  24 -13.452  -6.871   3.657
  171    HB   THR  24           HB       THR  24 -13.514  -4.525   3.897
  172    HG1  THR  24           HG1      THR  24 -13.190  -5.060   1.151
  173   HG21  THR  24          HG21      THR  24 -11.964  -2.956   2.778
  174   HG22  THR  24          HG22      THR  24 -11.041  -4.327   2.159
  175   HG23  THR  24          HG23      THR  24 -11.123  -4.031   3.895
  176    H    ASP  25           H        ASP  25 -12.248  -8.856   2.898
  177    HA   ASP  25           HA       ASP  25 -11.470 -10.279   1.304
  178    HB2  ASP  25           HB2      ASP  25 -13.578  -9.317   0.184
  179    HB3  ASP  25           HB3      ASP  25 -12.500  -8.263  -0.725
  180    H    LEU  26           H        LEU  26  -9.654  -8.717   2.386
  181    HA   LEU  26           HA       LEU  26  -8.074  -7.381   0.326
  182    HB2  LEU  26           HB2      LEU  26  -8.680  -6.243   2.422
  183    HB3  LEU  26           HB3      LEU  26  -7.769  -7.438   3.326
  184    HG   LEU  26           HG       LEU  26  -5.721  -6.650   2.121
  185   HD11  LEU  26          HD11      LEU  26  -6.804  -5.698   0.174
  186   HD12  LEU  26          HD12      LEU  26  -5.838  -4.475   1.004
  187   HD13  LEU  26          HD13      LEU  26  -7.594  -4.492   1.188
  188   HD21  LEU  26          HD21      LEU  26  -7.250  -4.601   3.717
  189   HD22  LEU  26          HD22      LEU  26  -5.507  -4.602   3.441
  190   HD23  LEU  26          HD23      LEU  26  -6.252  -5.898   4.377
  191    H    SER  27           H        SER  27  -8.256 -10.381   1.821
  192    HA   SER  27           HA       SER  27  -5.380 -10.760   1.607
  193    HB2  SER  27           HB2      SER  27  -7.406 -12.484   3.027
  194    HB3  SER  27           HB3      SER  27  -5.646 -12.667   3.053
  195    HG   SER  27           HG       SER  27  -7.240 -10.621   4.177
  196    H    GLY  28           H        GLY  28  -4.544 -12.081   0.184
  197    HA2  GLY  28           HA2      GLY  28  -4.855 -14.155  -1.165
  198    HA3  GLY  28           HA3      GLY  28  -6.364 -13.406  -1.710
  199    H    ASP  29           H        ASP  29  -6.315 -11.992  -3.312
  200    HA   ASP  29           HA       ASP  29  -3.864 -10.527  -3.789
  201    HB2  ASP  29           HB2      ASP  29  -3.717 -12.314  -5.457
  202    HB3  ASP  29           HB3      ASP  29  -5.359 -11.977  -6.001
  203    H    PHE  30           H        PHE  30  -4.179  -8.570  -4.590
  204    HA   PHE  30           HA       PHE  30  -6.864  -7.608  -5.150
  205    HB2  PHE  30           HB2      PHE  30  -6.836  -5.929  -3.296
  206    HB3  PHE  30           HB3      PHE  30  -6.848  -7.581  -2.708
  207    HD1  PHE  30           HD2      PHE  30  -4.712  -8.584  -1.828
  208    HD2  PHE  30           HD1      PHE  30  -5.090  -4.448  -2.728
  209    HE1  PHE  30           HE2      PHE  30  -2.723  -8.109  -0.467
  210    HE2  PHE  30           HE1      PHE  30  -3.102  -3.971  -1.368
  211    HZ   PHE  30           HZ       PHE  30  -1.918  -5.799  -0.239
  212    H    LEU  31           H        LEU  31  -3.697  -7.652  -5.805
  213    HA   LEU  31           HA       LEU  31  -2.895  -5.009  -6.110
  214    HB2  LEU  31           HB2      LEU  31  -1.996  -7.570  -7.362
  215    HB3  LEU  31           HB3      LEU  31  -1.335  -6.042  -7.896
  216    HG   LEU  31           HG       LEU  31  -0.490  -5.622  -5.609
  217   HD11  LEU  31          HD11      LEU  31  -0.433  -7.412  -3.963
  218   HD12  LEU  31          HD12      LEU  31  -1.448  -8.411  -5.005
  219   HD13  LEU  31          HD13      LEU  31  -2.090  -6.920  -4.316
  220   HD21  LEU  31          HD21      LEU  31   0.351  -8.233  -6.827
  221   HD22  LEU  31          HD22      LEU  31   1.283  -7.292  -5.664
  222   HD23  LEU  31          HD23      LEU  31   0.943  -6.628  -7.264
  223    H    ASP  32           H        ASP  32  -5.024  -6.887  -8.050
  224    HA   ASP  32           HA       ASP  32  -4.693  -5.172 -10.401
  225    HB2  ASP  32           HB2      ASP  32  -4.818  -7.629 -10.651
  226    HB3  ASP  32           HB3      ASP  32  -6.414  -7.617  -9.924
  227    H    LEU  33           H        LEU  33  -6.614  -5.520  -7.655
  228    HA   LEU  33           HA       LEU  33  -9.047  -4.385  -8.730
  229    HB2  LEU  33           HB2      LEU  33  -8.262  -4.912  -5.867
  230    HB3  LEU  33           HB3      LEU  33  -9.876  -4.605  -6.476
  231    HG   LEU  33           HG       LEU  33  -8.202  -7.055  -7.024
  232   HD11  LEU  33          HD11      LEU  33  -9.896  -8.206  -5.715
  233   HD12  LEU  33          HD12      LEU  33 -10.680  -6.654  -5.399
  234   HD13  LEU  33          HD13      LEU  33  -9.058  -6.965  -4.775
  235   HD21  LEU  33          HD21      LEU  33  -9.602  -6.507  -8.946
  236   HD22  LEU  33          HD22      LEU  33 -11.013  -6.399  -7.896
  237   HD23  LEU  33          HD23      LEU  33 -10.199  -7.949  -8.123
  238    H    ARG  34           H        ARG  34  -9.705  -2.255  -8.336
  239    HA   ARG  34           HA       ARG  34  -7.571  -0.425  -7.659
  240    HB2  ARG  34           HB2      ARG  34 -10.493   0.155  -8.192
  241    HB3  ARG  34           HB3      ARG  34  -9.231   1.363  -8.015
  242    HG2  ARG  34           HG2      ARG  34  -8.128   0.449 -10.029
  243    HG3  ARG  34           HG3      ARG  34  -9.480  -0.673 -10.218
  244    HD2  ARG  34           HD2      ARG  34  -9.864   1.222 -11.646
  245    HD3  ARG  34           HD3      ARG  34 -11.016   1.281 -10.314
  246    HE   ARG  34           HE       ARG  34  -8.615   2.987 -10.565
  247   HH11  ARG  34          HH11      ARG  34 -11.866   2.500  -9.172
  248   HH12  ARG  34          HH12      ARG  34 -11.955   4.117  -8.611
  249   HH21  ARG  34          HH21      ARG  34  -8.797   5.077  -9.818
  250   HH22  ARG  34          HH22      ARG  34 -10.178   5.614  -8.933
  251    H    PHE  35           H        PHE  35  -7.382   0.786  -5.813
  252    HA   PHE  35           HA       PHE  35  -8.146  -0.200  -3.360
  253    HB2  PHE  35           HB2      PHE  35  -7.525   2.648  -4.118
  254    HB3  PHE  35           HB3      PHE  35  -7.773   2.133  -2.458
  255    HD1  PHE  35           HD2      PHE  35  -6.159   0.576  -1.407
  256    HD2  PHE  35           HD1      PHE  35  -5.513   2.225  -5.269
  257    HE1  PHE  35           HE2      PHE  35  -3.800  -0.083  -1.287
  258    HE2  PHE  35           HE1      PHE  35  -3.147   1.564  -5.158
  259    HZ   PHE  35           HZ       PHE  35  -2.253   0.579  -3.052
  260    H    GLU  36           H        GLU  36  -9.833   2.211  -5.228
  261    HA   GLU  36           HA       GLU  36 -11.829   2.923  -3.450
  262    HB2  GLU  36           HB2      GLU  36 -11.829   2.828  -6.449
  263    HB3  GLU  36           HB3      GLU  36 -13.107   3.574  -5.493
  264    HG2  GLU  36           HG2      GLU  36 -11.617   5.186  -4.598
  265    HG3  GLU  36           HG3      GLU  36 -10.216   4.347  -5.257
  266    H    ASP  37           H        ASP  37 -11.574  -0.031  -5.289
  267    HA   ASP  37           HA       ASP  37 -14.386  -0.660  -5.011
  268    HB2  ASP  37           HB2      ASP  37 -13.300  -1.465  -7.011
  269    HB3  ASP  37           HB3      ASP  37 -12.056  -2.277  -6.066
  270    H    ILE  38           H        ILE  38 -11.453  -1.219  -3.309
  271    HA   ILE  38           HA       ILE  38 -12.772  -3.214  -1.654
  272    HB   ILE  38           HB       ILE  38 -10.529  -3.557  -0.568
  273   HG12  ILE  38          HG12      ILE  38  -9.560  -1.744  -2.797
  274   HG13  ILE  38          HG13      ILE  38  -9.596  -1.327  -1.092
  275   HG21  ILE  38          HG21      ILE  38 -10.660  -3.920  -3.555
  276   HG22  ILE  38          HG22      ILE  38 -11.303  -5.017  -2.332
  277   HG23  ILE  38          HG23      ILE  38  -9.560  -4.773  -2.467
  278   HD11  ILE  38          HD11      ILE  38  -7.376  -1.890  -1.799
  279   HD12  ILE  38          HD12      ILE  38  -7.916  -3.478  -2.367
  280   HD13  ILE  38          HD13      ILE  38  -7.959  -3.086  -0.643
  281    H    GLY  39           H        GLY  39 -13.276  -0.297  -1.664
  282    HA2  GLY  39           HA2      GLY  39 -14.229   1.040  -0.026
  283    HA3  GLY  39           HA3      GLY  39 -13.680  -0.105   1.176
  284    H    TYR  40           H        TYR  40 -11.257   1.105  -0.948
  285    HA   TYR  40           HA       TYR  40 -10.262   2.666   1.283
  286    HB2  TYR  40           HB2      TYR  40  -8.888   1.400  -1.057
  287    HB3  TYR  40           HB3      TYR  40  -8.073   2.661  -0.149
  288    HD1  TYR  40           HD1      TYR  40  -9.969  -0.495   0.466
  289    HD2  TYR  40           HD2      TYR  40  -6.724   1.995   1.586
  290    HE1  TYR  40           HE1      TYR  40  -9.244  -2.175   2.076
  291    HE2  TYR  40           HE2      TYR  40  -5.980   0.333   3.206
  292    HH   TYR  40           HH       TYR  40  -7.285  -2.838   3.322
  293    H    ASP  41           H        ASP  41 -10.623   4.607   1.367
  294    HA   ASP  41           HA       ASP  41 -11.683   6.207  -0.659
  295    HB2  ASP  41           HB2      ASP  41 -11.242   8.056   1.073
  296    HB3  ASP  41           HB3      ASP  41 -12.328   6.746   1.527
  297    H    SER  42           H        SER  42  -8.780   7.225   1.087
  298    HA   SER  42           HA       SER  42  -6.934   7.290  -1.013
  299    HB2  SER  42           HB2      SER  42  -6.952   9.738  -1.512
  300    HB3  SER  42           HB3      SER  42  -8.415   8.927  -2.082
  301    H    LEU  43           H        LEU  43  -8.220   9.130   1.683
  302    HA   LEU  43           HA       LEU  43  -5.729   9.957   2.721
  303    HB2  LEU  43           HB2      LEU  43  -8.376   9.554   4.114
  304    HB3  LEU  43           HB3      LEU  43  -6.983  10.335   4.840
  305    HG   LEU  43           HG       LEU  43  -8.446  11.333   2.398
  306   HD11  LEU  43          HD11      LEU  43  -9.794  11.525   4.424
  307   HD12  LEU  43          HD12      LEU  43  -9.248  13.109   3.869
  308   HD13  LEU  43          HD13      LEU  43  -8.458  12.335   5.243
  309   HD21  LEU  43          HD21      LEU  43  -7.069  13.334   2.698
  310   HD22  LEU  43          HD22      LEU  43  -6.072  11.909   2.405
  311   HD23  LEU  43          HD23      LEU  43  -6.229  12.555   4.040
  312    H    ALA  44           H        ALA  44  -7.833   7.216   3.455
  313    HA   ALA  44           HA       ALA  44  -6.117   5.995   5.336
  314    HB1  ALA  44           HB1      ALA  44  -7.375   3.943   4.911
  315    HB2  ALA  44           HB2      ALA  44  -8.071   4.662   3.459
  316    HB3  ALA  44           HB3      ALA  44  -8.466   5.324   5.047
  317    H    LEU  45           H        LEU  45  -6.177   6.026   1.892
  318    HA   LEU  45           HA       LEU  45  -4.416   3.849   1.378
  319    HB2  LEU  45           HB2      LEU  45  -6.063   5.284  -0.172
  320    HB3  LEU  45           HB3      LEU  45  -4.611   6.208  -0.393
  321    HG   LEU  45           HG       LEU  45  -4.878   3.376  -1.023
  322   HD11  LEU  45          HD11      LEU  45  -5.021   5.821  -2.783
  323   HD12  LEU  45          HD12      LEU  45  -6.325   4.686  -2.405
  324   HD13  LEU  45          HD13      LEU  45  -4.954   4.154  -3.379
  325   HD21  LEU  45          HD21      LEU  45  -2.706   5.348  -1.735
  326   HD22  LEU  45          HD22      LEU  45  -2.805   3.693  -2.343
  327   HD23  LEU  45          HD23      LEU  45  -2.558   3.987  -0.621
  328    H    MET  46           H        MET  46  -3.998   7.315   1.827
  329    HA   MET  46           HA       MET  46  -1.200   7.459   1.353
  330    HB2  MET  46           HB2      MET  46  -2.986   9.247   3.028
  331    HB3  MET  46           HB3      MET  46  -1.345   9.645   2.535
  332    HG2  MET  46           HG2      MET  46  -1.963   9.654   0.252
  333    HG3  MET  46           HG3      MET  46  -3.585   9.078   0.625
  334    HE1  MET  46           HE1      MET  46  -4.740  10.969  -0.748
  335    HE2  MET  46           HE2      MET  46  -3.152  11.555  -1.247
  336    HE3  MET  46           HE3      MET  46  -4.347  12.683  -0.605
  337    H    GLU  47           H        GLU  47  -3.164   6.854   4.127
  338    HA   GLU  47           HA       GLU  47  -1.170   6.838   6.102
  339    HB2  GLU  47           HB2      GLU  47  -3.590   7.041   6.434
  340    HB3  GLU  47           HB3      GLU  47  -3.796   5.371   5.953
  341    HG2  GLU  47           HG2      GLU  47  -2.505   4.617   7.859
  342    HG3  GLU  47           HG3      GLU  47  -2.234   6.290   8.351
  343    H    THR  48           H        THR  48  -2.455   4.378   3.930
  344    HA   THR  48           HA       THR  48  -1.137   2.099   4.838
  345    HB   THR  48           HB       THR  48  -1.917   2.992   2.057
  346    HG1  THR  48           HG1      THR  48  -3.250   2.096   4.192
  347   HG21  THR  48          HG21      THR  48  -0.245   1.220   1.900
  348   HG22  THR  48          HG22      THR  48  -1.830   0.614   1.423
  349   HG23  THR  48          HG23      THR  48  -1.176   0.221   3.016
  350    H    ALA  49           H        ALA  49  -0.182   4.487   2.397
  351    HA   ALA  49           HA       ALA  49   2.335   3.483   1.774
  352    HB1  ALA  49           HB1      ALA  49   2.843   5.731   0.954
  353    HB2  ALA  49           HB2      ALA  49   1.443   6.367   1.815
  354    HB3  ALA  49           HB3      ALA  49   1.218   5.238   0.479
  355    H    ALA  50           H        ALA  50   1.384   5.875   4.211
  356    HA   ALA  50           HA       ALA  50   3.865   6.495   5.284
  357    HB1  ALA  50           HB1      ALA  50   1.805   7.717   5.790
  358    HB2  ALA  50           HB2      ALA  50   2.664   7.253   7.258
  359    HB3  ALA  50           HB3      ALA  50   1.234   6.353   6.750
  360    H    ARG  51           H        ARG  51   1.784   3.776   5.995
  361    HA   ARG  51           HA       ARG  51   3.240   2.797   8.213
  362    HB2  ARG  51           HB2      ARG  51   1.365   1.396   6.301
  363    HB3  ARG  51           HB3      ARG  51   2.081   0.601   7.697
  364    HG2  ARG  51           HG2      ARG  51   0.541   3.151   8.028
  365    HG3  ARG  51           HG3      ARG  51  -0.296   1.609   7.880
  366    HD2  ARG  51           HD2      ARG  51   0.158   2.432  10.241
  367    HD3  ARG  51           HD3      ARG  51   0.647   0.786   9.879
  368    HE   ARG  51           HE       ARG  51   2.926   1.543   9.824
  369   HH11  ARG  51          HH11      ARG  51   0.678   3.935  11.197
  370   HH12  ARG  51          HH12      ARG  51   1.860   4.641  12.197
  371   HH21  ARG  51          HH21      ARG  51   4.475   2.486  11.175
  372   HH22  ARG  51          HH22      ARG  51   4.095   3.856  12.141
  373    H    LEU  52           H        LEU  52   3.400   1.948   4.777
  374    HA   LEU  52           HA       LEU  52   5.521   0.091   5.117
  375    HB2  LEU  52           HB2      LEU  52   4.645   1.597   2.649
  376    HB3  LEU  52           HB3      LEU  52   5.839   0.309   2.655
  377    HG   LEU  52           HG       LEU  52   2.959  -0.023   3.474
  378   HD11  LEU  52          HD11      LEU  52   2.721  -1.255   1.391
  379   HD12  LEU  52          HD12      LEU  52   4.388  -0.869   0.970
  380   HD13  LEU  52          HD13      LEU  52   3.187   0.421   1.083
  381   HD21  LEU  52          HD21      LEU  52   3.483  -2.415   3.418
  382   HD22  LEU  52          HD22      LEU  52   4.466  -1.566   4.611
  383   HD23  LEU  52          HD23      LEU  52   5.169  -2.040   3.065
  384    H    GLU  53           H        GLU  53   5.432   3.522   4.422
  385    HA   GLU  53           HA       GLU  53   8.144   4.000   3.992
  386    HB2  GLU  53           HB2      GLU  53   6.087   5.671   5.376
  387    HB3  GLU  53           HB3      GLU  53   7.684   6.272   4.951
  388    HG2  GLU  53           HG2      GLU  53   7.155   5.907   2.586
  389    HG3  GLU  53           HG3      GLU  53   5.552   5.327   3.047
  390    H    SER  54           H        SER  54   6.303   3.866   6.979
  391    HA   SER  54           HA       SER  54   8.355   4.531   8.737
  392    HB2  SER  54           HB2      SER  54   5.889   4.492   9.226
  393    HB3  SER  54           HB3      SER  54   5.982   2.736   9.290
  394    HG   SER  54           HG       SER  54   7.606   3.091  11.029
  395    H    ARG  55           H        ARG  55   7.102   1.276   7.874
  396    HA   ARG  55           HA       ARG  55   9.049  -0.077   9.399
  397    HB2  ARG  55           HB2      ARG  55   6.931  -1.157   8.732
  398    HB3  ARG  55           HB3      ARG  55   7.476  -1.180   7.056
  399    HG2  ARG  55           HG2      ARG  55   9.470  -2.517   7.857
  400    HG3  ARG  55           HG3      ARG  55   8.633  -2.680   9.391
  401    HD2  ARG  55           HD2      ARG  55   7.538  -3.565   6.731
  402    HD3  ARG  55           HD3      ARG  55   8.401  -4.612   7.837
  403    HE   ARG  55           HE       ARG  55   6.173  -3.415   9.113
  404   HH11  ARG  55          HH11      ARG  55   6.894  -5.805   6.585
  405   HH12  ARG  55          HH12      ARG  55   5.675  -6.904   7.027
  406   HH21  ARG  55          HH21      ARG  55   4.447  -4.923   9.763
  407   HH22  ARG  55          HH22      ARG  55   4.327  -6.417   8.950
  408    H    TYR  56           H        TYR  56   9.018   0.726   5.911
  409    HA   TYR  56           HA       TYR  56  11.521  -0.740   5.683
  410    HB2  TYR  56           HB2      TYR  56   9.669   0.212   3.509
  411    HB3  TYR  56           HB3      TYR  56  11.174  -0.666   3.232
  412    HD1  TYR  56           HD2      TYR  56  11.416  -2.913   4.519
  413    HD2  TYR  56           HD1      TYR  56   7.693  -0.999   3.788
  414    HE1  TYR  56           HE2      TYR  56  10.261  -5.034   4.927
  415    HE2  TYR  56           HE1      TYR  56   6.516  -3.102   4.207
  416    HH   TYR  56           HH       TYR  56   7.167  -5.715   4.133
  417    H    GLY  57           H        GLY  57  10.616   2.509   5.894
  418    HA2  GLY  57           HA2      GLY  57  12.118   4.280   6.054
  419    HA3  GLY  57           HA3      GLY  57  13.386   3.228   5.442
  420    H    VAL  58           H        VAL  58  10.351   3.618   3.858
  421    HA   VAL  58           HA       VAL  58  11.721   4.843   1.586
  422    HB   VAL  58           HB       VAL  58   9.926   4.082   0.145
  423   HG11  VAL  58          HG11      VAL  58  11.627   2.434   0.640
  424   HG12  VAL  58          HG12      VAL  58  10.042   1.660   0.435
  425   HG13  VAL  58          HG13      VAL  58  10.697   1.917   2.052
  426   HG21  VAL  58          HG21      VAL  58   8.536   3.073   2.629
  427   HG22  VAL  58          HG22      VAL  58   8.000   2.809   0.969
  428   HG23  VAL  58          HG23      VAL  58   8.027   4.441   1.640
  429    H    SER  59           H        SER  59  10.038   6.315   0.242
  430    HA   SER  59           HA       SER  59   8.450   7.869   2.105
  431    HB2  SER  59           HB2      SER  59  10.689   8.941   1.962
  432    HB3  SER  59           HB3      SER  59  10.516   9.038   0.214
  433    HG   SER  59           HG       SER  59   8.692  10.243   2.038
  434    H    ILE  60           H        ILE  60   6.526   8.132   1.270
  435    HA   ILE  60           HA       ILE  60   6.182   8.032  -1.655
  436    HB   ILE  60           HB       ILE  60   4.224   6.990   0.425
  437   HG12  ILE  60          HG12      ILE  60   6.160   5.476   0.240
  438   HG13  ILE  60          HG13      ILE  60   4.703   4.727  -0.401
  439   HG21  ILE  60          HG21      ILE  60   3.098   7.870  -1.530
  440   HG22  ILE  60          HG22      ILE  60   2.955   6.112  -1.490
  441   HG23  ILE  60          HG23      ILE  60   4.104   6.877  -2.588
  442   HD11  ILE  60          HD11      ILE  60   6.641   4.233  -1.785
  443   HD12  ILE  60          HD12      ILE  60   6.932   5.959  -2.015
  444   HD13  ILE  60          HD13      ILE  60   5.478   5.215  -2.678
  445    HA   PRO  61           HA       PRO  61   4.611  12.130  -0.591
  446    HB2  PRO  61           HB2      PRO  61   4.044  12.127  -3.505
  447    HB3  PRO  61           HB3      PRO  61   4.949  13.298  -2.539
  448    HG2  PRO  61           HG2      PRO  61   6.210  11.629  -4.184
  449    HG3  PRO  61           HG3      PRO  61   6.896  12.046  -2.603
  450    HD2  PRO  61           HD2      PRO  61   5.439   9.575  -3.444
  451    HD3  PRO  61           HD3      PRO  61   6.881   9.737  -2.418
  452    H    ASP  62           H        ASP  62   2.601  12.853  -0.241
  453    HA   ASP  62           HA       ASP  62   0.373  11.206  -0.092
  454    HB2  ASP  62           HB2      ASP  62   0.482  14.220  -0.252
  455    HB3  ASP  62           HB3      ASP  62  -0.986  13.324   0.085
  456    H    ASP  63           H        ASP  63   1.348  13.333  -2.679
  457    HA   ASP  63           HA       ASP  63  -1.088  13.190  -4.140
  458    HB2  ASP  63           HB2      ASP  63   1.693  14.000  -4.936
  459    HB3  ASP  63           HB3      ASP  63   0.367  13.968  -6.088
  460    H    VAL  64           H        VAL  64   1.801  11.270  -4.120
  461    HA   VAL  64           HA       VAL  64   1.067   9.760  -6.498
  462    HB   VAL  64           HB       VAL  64   3.074   9.036  -4.371
  463   HG11  VAL  64          HG11      VAL  64   2.813   8.245  -7.285
  464   HG12  VAL  64          HG12      VAL  64   2.479   7.212  -5.899
  465   HG13  VAL  64          HG13      VAL  64   4.133   7.743  -6.225
  466   HG21  VAL  64          HG21      VAL  64   4.796  10.073  -5.813
  467   HG22  VAL  64          HG22      VAL  64   3.621  11.244  -5.212
  468   HG23  VAL  64          HG23      VAL  64   3.518  10.669  -6.875
  469    H    ALA  65           H        ALA  65   0.932   9.365  -3.031
  470    HA   ALA  65           HA       ALA  65  -0.140   6.790  -2.955
  471    HB1  ALA  65           HB1      ALA  65  -0.559   9.117  -1.097
  472    HB2  ALA  65           HB2      ALA  65   0.693   7.880  -0.963
  473    HB3  ALA  65           HB3      ALA  65  -1.006   7.450  -0.724
  474    H    GLY  66           H        GLY  66  -1.674   9.917  -3.500
  475    HA2  GLY  66           HA2      GLY  66  -4.279   8.615  -3.803
  476    HA3  GLY  66           HA3      GLY  66  -3.980  10.348  -3.811
  477    H    ARG  67           H        ARG  67  -2.058   8.149  -5.659
  478    HA   ARG  67           HA       ARG  67  -3.401   8.951  -8.159
  479    HB2  ARG  67           HB2      ARG  67  -1.416  10.359  -7.828
  480    HB3  ARG  67           HB3      ARG  67  -0.420   8.931  -7.628
  481    HG2  ARG  67           HG2      ARG  67  -0.148  10.008  -9.818
  482    HG3  ARG  67           HG3      ARG  67  -0.730   8.349  -9.951
  483    HD2  ARG  67           HD2      ARG  67  -1.868   9.888 -11.479
  484    HD3  ARG  67           HD3      ARG  67  -2.965   9.120 -10.331
  485    HE   ARG  67           HE       ARG  67  -2.119  11.589  -9.299
  486   HH11  ARG  67          HH11      ARG  67  -4.080  10.466 -12.059
  487   HH12  ARG  67          HH12      ARG  67  -5.193  11.760 -11.914
  488   HH21  ARG  67          HH21      ARG  67  -3.714  13.326  -9.166
  489   HH22  ARG  67          HH22      ARG  67  -4.979  13.361 -10.330
  490    H    VAL  68           H        VAL  68  -1.945   6.531  -6.270
  491    HA   VAL  68           HA       VAL  68  -1.694   4.653  -8.424
  492    HB   VAL  68           HB       VAL  68  -1.214   3.007  -6.490
  493   HG11  VAL  68          HG11      VAL  68   1.049   3.913  -6.173
  494   HG12  VAL  68          HG12      VAL  68   0.511   5.464  -6.818
  495   HG13  VAL  68          HG13      VAL  68   0.531   4.035  -7.854
  496   HG21  VAL  68          HG21      VAL  68  -1.082   5.601  -4.951
  497   HG22  VAL  68          HG22      VAL  68  -0.576   4.022  -4.354
  498   HG23  VAL  68          HG23      VAL  68  -2.286   4.334  -4.690
  499    H    ASP  69           H        ASP  69  -3.356   3.689  -9.278
  500    HA   ASP  69           HA       ASP  69  -5.946   3.608  -7.952
  501    HB2  ASP  69           HB2      ASP  69  -5.013   2.646 -10.663
  502    HB3  ASP  69           HB3      ASP  69  -6.641   2.377 -10.070
  503    H    THR  70           H        THR  70  -3.587   1.275  -9.158
  504    HA   THR  70           HA       THR  70  -4.980  -0.798  -7.699
  505    HB   THR  70           HB       THR  70  -3.444  -2.279  -9.084
  506    HG1  THR  70           HG1      THR  70  -2.379  -1.281 -10.826
  507   HG21  THR  70          HG21      THR  70  -5.359  -0.448 -10.539
  508   HG22  THR  70          HG22      THR  70  -5.797  -1.927  -9.682
  509   HG23  THR  70          HG23      THR  70  -4.800  -2.013 -11.136
  510    HA   PRO  71           HA       PRO  71  -1.821  -0.767  -4.553
  511    HB2  PRO  71           HB2      PRO  71  -2.217  -3.724  -4.549
  512    HB3  PRO  71           HB3      PRO  71  -2.314  -2.570  -3.217
  513    HG2  PRO  71           HG2      PRO  71  -4.534  -3.578  -4.233
  514    HG3  PRO  71           HG3      PRO  71  -4.449  -1.866  -3.783
  515    HD2  PRO  71           HD2      PRO  71  -4.267  -3.122  -6.491
  516    HD3  PRO  71           HD3      PRO  71  -5.139  -1.660  -5.980
  517    H    ARG  72           H        ARG  72  -1.738  -2.908  -7.281
  518    HA   ARG  72           HA       ARG  72   0.834  -3.944  -7.172
  519    HB2  ARG  72           HB2      ARG  72  -1.021  -4.462  -8.827
  520    HB3  ARG  72           HB3      ARG  72  -0.551  -3.002  -9.682
  521    HG2  ARG  72           HG2      ARG  72   1.602  -3.924 -10.180
  522    HG3  ARG  72           HG3      ARG  72   1.272  -5.341  -9.173
  523    HD2  ARG  72           HD2      ARG  72  -0.666  -5.847 -10.653
  524    HD3  ARG  72           HD3      ARG  72  -0.146  -4.534 -11.705
  525    HE   ARG  72           HE       ARG  72   2.011  -6.225 -11.314
  526   HH11  ARG  72          HH11      ARG  72  -1.211  -6.467 -12.739
  527   HH12  ARG  72          HH12      ARG  72  -0.765  -7.565 -13.970
  528   HH21  ARG  72          HH21      ARG  72   2.659  -7.703 -13.041
  529   HH22  ARG  72          HH22      ARG  72   1.496  -8.280 -14.145
  530    H    GLU  73           H        GLU  73  -0.291  -0.799  -8.365
  531    HA   GLU  73           HA       GLU  73   2.184   0.184  -9.278
  532    HB2  GLU  73           HB2      GLU  73  -0.297   1.613  -8.323
  533    HB3  GLU  73           HB3      GLU  73   1.070   2.412  -9.082
  534    HG2  GLU  73           HG2      GLU  73  -0.548   0.241 -10.380
  535    HG3  GLU  73           HG3      GLU  73  -0.844   1.965 -10.592
  536    H    LEU  74           H        LEU  74   0.573   0.301  -6.157
  537    HA   LEU  74           HA       LEU  74   2.424   2.096  -4.928
  538    HB2  LEU  74           HB2      LEU  74  -0.002   1.482  -4.211
  539    HB3  LEU  74           HB3      LEU  74   0.701   0.056  -3.490
  540    HG   LEU  74           HG       LEU  74   1.355   2.902  -2.670
  541   HD11  LEU  74          HD11      LEU  74  -0.455   0.879  -1.378
  542   HD12  LEU  74          HD12      LEU  74  -0.951   2.365  -2.187
  543   HD13  LEU  74          HD13      LEU  74  -0.007   2.445  -0.698
  544   HD21  LEU  74          HD21      LEU  74   1.987   0.278  -1.315
  545   HD22  LEU  74          HD22      LEU  74   2.342   1.885  -0.677
  546   HD23  LEU  74          HD23      LEU  74   3.153   1.315  -2.135
  547    H    LEU  75           H        LEU  75   2.076  -1.394  -5.132
  548    HA   LEU  75           HA       LEU  75   4.191  -2.291  -3.567
  549    HB2  LEU  75           HB2      LEU  75   2.498  -3.728  -4.679
  550    HB3  LEU  75           HB3      LEU  75   3.238  -3.382  -6.224
  551    HG   LEU  75           HG       LEU  75   5.329  -4.482  -5.365
  552   HD11  LEU  75          HD11      LEU  75   5.107  -5.964  -3.451
  553   HD12  LEU  75          HD12      LEU  75   3.486  -5.331  -3.153
  554   HD13  LEU  75          HD13      LEU  75   4.889  -4.274  -3.002
  555   HD21  LEU  75          HD21      LEU  75   2.837  -6.171  -5.466
  556   HD22  LEU  75          HD22      LEU  75   4.488  -6.746  -5.696
  557   HD23  LEU  75          HD23      LEU  75   3.774  -5.631  -6.858
  558    H    ASP  76           H        ASP  76   4.114  -1.469  -7.001
  559    HA   ASP  76           HA       ASP  76   6.805  -1.753  -7.641
  560    HB2  ASP  76           HB2      ASP  76   5.207  -1.523  -9.400
  561    HB3  ASP  76           HB3      ASP  76   4.682   0.046  -8.801
  562    H    LEU  77           H        LEU  77   5.111   1.040  -6.330
  563    HA   LEU  77           HA       LEU  77   7.178   2.936  -6.474
  564    HB2  LEU  77           HB2      LEU  77   5.030   2.628  -4.386
  565    HB3  LEU  77           HB3      LEU  77   6.058   4.033  -4.540
  566    HG   LEU  77           HG       LEU  77   4.053   3.093  -6.581
  567   HD11  LEU  77          HD11      LEU  77   4.011   5.383  -4.627
  568   HD12  LEU  77          HD12      LEU  77   3.025   3.923  -4.540
  569   HD13  LEU  77          HD13      LEU  77   2.797   5.065  -5.865
  570   HD21  LEU  77          HD21      LEU  77   5.744   5.594  -6.457
  571   HD22  LEU  77          HD22      LEU  77   4.495   5.246  -7.655
  572   HD23  LEU  77          HD23      LEU  77   5.953   4.259  -7.593
  573    H    ILE  78           H        ILE  78   6.239   0.817  -3.800
  574    HA   ILE  78           HA       ILE  78   8.331   1.557  -2.064
  575    HB   ILE  78           HB       ILE  78   6.959  -1.146  -2.129
  576   HG12  ILE  78          HG12      ILE  78   5.280   0.647  -2.047
  577   HG13  ILE  78          HG13      ILE  78   5.350  -0.219  -0.520
  578   HG21  ILE  78          HG21      ILE  78   8.332   0.353   0.114
  579   HG22  ILE  78          HG22      ILE  78   8.949  -1.077  -0.713
  580   HG23  ILE  78          HG23      ILE  78   7.498  -1.193   0.280
  581   HD11  ILE  78          HD11      ILE  78   5.097   2.161  -0.171
  582   HD12  ILE  78          HD12      ILE  78   6.570   2.474  -1.090
  583   HD13  ILE  78          HD13      ILE  78   6.653   1.608   0.445
  584    H    ASN  79           H        ASN  79   8.011  -1.151  -4.343
  585    HA   ASN  79           HA       ASN  79  10.487  -2.376  -3.761
  586    HB2  ASN  79           HB2      ASN  79   8.796  -2.470  -6.265
  587    HB3  ASN  79           HB3      ASN  79  10.315  -3.336  -6.142
  588   HD21  ASN  79          HD21      ASN  79   8.086  -3.028  -3.427
  589   HD22  ASN  79          HD22      ASN  79   7.561  -4.683  -3.468
  590    H    GLY  80           H        GLY  80   9.681   0.221  -5.995
  591    HA2  GLY  80           HA2      GLY  80  12.231   0.411  -7.216
  592    HA3  GLY  80           HA3      GLY  80  11.009   1.676  -7.158
  593    H    ALA  81           H        ALA  81  10.792   1.961  -4.404
  594    HA   ALA  81           HA       ALA  81  12.946   3.737  -3.865
  595    HB1  ALA  81           HB1      ALA  81  10.841   2.647  -1.998
  596    HB2  ALA  81           HB2      ALA  81  10.688   4.090  -3.000
  597    HB3  ALA  81           HB3      ALA  81  11.872   4.043  -1.694
  598    H    LEU  82           H        LEU  82  12.141   0.514  -2.848
  599    HA   LEU  82           HA       LEU  82  14.190   0.080  -0.952
  600    HB2  LEU  82           HB2      LEU  82  12.820  -1.867  -2.813
  601    HB3  LEU  82           HB3      LEU  82  13.821  -2.322  -1.451
  602    HG   LEU  82           HG       LEU  82  11.247  -0.768  -1.221
  603   HD11  LEU  82          HD11      LEU  82  10.284  -2.845  -0.396
  604   HD12  LEU  82          HD12      LEU  82  11.791  -3.689  -0.753
  605   HD13  LEU  82          HD13      LEU  82  10.831  -3.003  -2.066
  606   HD21  LEU  82          HD21      LEU  82  12.822  -0.381   0.582
  607   HD22  LEU  82          HD22      LEU  82  12.975  -2.119   0.842
  608   HD23  LEU  82          HD23      LEU  82  11.434  -1.308   1.152
  609    H    ALA  83           H        ALA  83  13.973  -0.398  -4.417
  610    HA   ALA  83           HA       ALA  83  16.526  -1.490  -4.842
  611    HB1  ALA  83           HB1      ALA  83  14.861   0.152  -6.758
  612    HB2  ALA  83           HB2      ALA  83  14.741  -1.591  -6.532
  613    HB3  ALA  83           HB3      ALA  83  16.218  -0.887  -7.192
  614    H    GLU  84           H        GLU  84  15.369   1.834  -4.737
  615    HA   GLU  84           HA       GLU  84  17.771   3.113  -5.415
  616    HB2  GLU  84           HB2      GLU  84  15.645   4.092  -3.483
  617    HB3  GLU  84           HB3      GLU  84  16.894   5.080  -4.215
  618    HG2  GLU  84           HG2      GLU  84  15.891   4.640  -6.419
  619    HG3  GLU  84           HG3      GLU  84  14.611   3.718  -5.622
  620    H    ALA  85           H        ALA  85  16.443   2.974  -2.124
  621    HA   ALA  85           HA       ALA  85  18.627   1.828  -0.837
  622    HB1  ALA  85           HB1      ALA  85  19.850   3.879  -1.465
  623    HB2  ALA  85           HB2      ALA  85  19.620   3.785   0.280
  624    HB3  ALA  85           HB3      ALA  85  18.606   4.856  -0.686
  625    H    ALA  86           H        ALA  86  17.292   0.854   0.500
  626    HA   ALA  86           HA       ALA  86  15.992   2.335   2.556
  627    HB1  ALA  86           HB1      ALA  86  13.784   1.289   2.194
  628    HB2  ALA  86           HB2      ALA  86  14.368   0.588   0.685
  629    HB3  ALA  86           HB3      ALA  86  14.221   2.337   0.844
  630    H28  SXA  87          H28A      SXA  87  -8.679  13.963  -1.896
  631   H28A  SXA  87          H28B      SXA  87  -9.985  14.076  -0.717
  632    H30  SXA  87          H30A      SXA  87  -8.357  13.938   1.757
  633   H30A  SXA  87          H30B      SXA  87  -9.645  15.100   1.431
  634   H30B  SXA  87          H30C      SXA  87  -8.054  15.665   1.940
  635    H31  SXA  87          H31A      SXA  87  -6.093  15.498   0.347
  636   H31A  SXA  87          H31B      SXA  87  -6.338  14.758  -1.236
  637   H31B  SXA  87          H31C      SXA  87  -6.402  13.764   0.220
  638    H32  SXA  87          H32A      SXA  87  -9.538  16.636  -0.573
  639   HO33  SXA  87          H33A      SXA  87  -7.434  17.032  -2.178
  640   HN36  SXA  87          H36A      SXA  87  -8.697  17.562   1.599
  641    H37  SXA  87          H37A      SXA  87  -6.258  18.704   2.166
  642   H37A  SXA  87          H37B      SXA  87  -7.010  19.826   1.059
  643    H38  SXA  87          H38A      SXA  87  -7.461  20.634   3.179
  644   H38A  SXA  87          H38B      SXA  87  -8.992  19.964   2.582
  645   HN41  SXA  87          H41A      SXA  87  -6.767  17.562   3.557
  646    H42  SXA  87          H42A      SXA  87  -6.467  17.254   6.112
  647   H42A  SXA  87          H42B      SXA  87  -8.221  17.132   6.044
  648    H43  SXA  87          H43A      SXA  87  -6.270  15.322   4.630
  649   H43A  SXA  87          H43B      SXA  87  -8.029  15.258   4.479
  650    H2   SXA  87           H2C      SXA  87  -9.688  14.835   9.037
  651    H2A  SXA  87           H2A      SXA  87  -8.530  13.550   8.678
  652    H2B  SXA  87           H2B      SXA  87 -10.189  13.437   8.078
  Start of MODEL   15
    1    H1   MET   1           H1       MET   1  21.386  -6.268  -2.069
    2    H2   MET   1           H2       MET   1  21.777  -7.909  -2.249
    3    H3   MET   1           H3       MET   1  21.367  -7.267  -0.723
    4    HA   MET   1           HA       MET   1  19.526  -7.344  -3.013
    5    HB2  MET   1           HB2      MET   1  19.589  -8.972  -0.454
    6    HB3  MET   1           HB3      MET   1  18.230  -8.920  -1.563
    7    HG2  MET   1           HG2      MET   1  20.980  -9.965  -2.182
    8    HG3  MET   1           HG3      MET   1  19.557 -10.940  -1.829
    9    HE1  MET   1           HE1      MET   1  21.335 -11.414  -4.397
   10    HE2  MET   1           HE2      MET   1  20.096 -11.621  -5.634
   11    HE3  MET   1           HE3      MET   1  19.876 -12.338  -4.038
   12    H    ALA   2           H        ALA   2  17.423  -6.667  -2.385
   13    HA   ALA   2           HA       ALA   2  17.290  -5.042   0.046
   14    HB1  ALA   2           HB1      ALA   2  16.062  -3.323  -1.228
   15    HB2  ALA   2           HB2      ALA   2  16.361  -4.228  -2.713
   16    HB3  ALA   2           HB3      ALA   2  17.709  -3.518  -1.824
   17    H    THR   3           H        THR   3  15.119  -4.921   0.861
   18    HA   THR   3           HA       THR   3  13.691  -7.344   0.276
   19    HB   THR   3           HB       THR   3  12.991  -5.048   2.130
   20    HG1  THR   3           HG1      THR   3  15.044  -6.559   2.307
   21   HG21  THR   3          HG21      THR   3  11.083  -6.518   1.614
   22   HG22  THR   3          HG22      THR   3  11.611  -6.732   3.285
   23   HG23  THR   3          HG23      THR   3  12.046  -7.927   2.064
   24    H    LEU   4           H        LEU   4  12.632  -7.288  -1.614
   25    HA   LEU   4           HA       LEU   4  11.060  -4.954  -2.333
   26    HB2  LEU   4           HB2      LEU   4  11.435  -7.591  -3.772
   27    HB3  LEU   4           HB3      LEU   4  10.572  -6.205  -4.405
   28    HG   LEU   4           HG       LEU   4  13.535  -6.347  -3.847
   29   HD11  LEU   4          HD11      LEU   4  12.000  -6.230  -6.433
   30   HD12  LEU   4          HD12      LEU   4  12.872  -7.627  -5.796
   31   HD13  LEU   4          HD13      LEU   4  13.755  -6.176  -6.273
   32   HD21  LEU   4          HD21      LEU   4  13.645  -4.136  -4.907
   33   HD22  LEU   4          HD22      LEU   4  12.672  -4.099  -3.436
   34   HD23  LEU   4          HD23      LEU   4  11.885  -4.099  -5.012
   35    H    LEU   5           H        LEU   5   9.156  -4.796  -1.471
   36    HA   LEU   5           HA       LEU   5   8.017  -6.907   0.011
   37    HB2  LEU   5           HB2      LEU   5   6.741  -4.323  -0.819
   38    HB3  LEU   5           HB3      LEU   5   6.102  -5.440   0.367
   39    HG   LEU   5           HG       LEU   5   8.499  -3.664   0.574
   40   HD11  LEU   5          HD11      LEU   5   7.362  -2.884   2.558
   41   HD12  LEU   5          HD12      LEU   5   6.094  -4.081   2.315
   42   HD13  LEU   5          HD13      LEU   5   6.299  -2.777   1.151
   43   HD21  LEU   5          HD21      LEU   5   9.019  -4.742   2.708
   44   HD22  LEU   5          HD22      LEU   5   9.198  -5.869   1.363
   45   HD23  LEU   5          HD23      LEU   5   7.774  -5.953   2.402
   46    H    THR   6           H        THR   6   6.328  -8.138  -0.298
   47    HA   THR   6           HA       THR   6   5.450  -8.355  -3.056
   48    HB   THR   6           HB       THR   6   4.937 -10.755  -2.426
   49    HG1  THR   6           HG1      THR   6   6.172  -9.878  -0.010
   50   HG21  THR   6          HG21      THR   6   7.820  -9.851  -2.237
   51   HG22  THR   6          HG22      THR   6   6.928 -10.156  -3.730
   52   HG23  THR   6          HG23      THR   6   7.282 -11.485  -2.625
   53    H    THR   7           H        THR   7   3.264  -9.984  -2.783
   54    HA   THR   7           HA       THR   7   1.137  -8.377  -2.438
   55    HB   THR   7           HB       THR   7   1.284 -11.341  -1.968
   56    HG1  THR   7           HG1      THR   7   0.954 -11.190  -4.427
   57   HG21  THR   7          HG21      THR   7  -0.872  -9.569  -3.171
   58   HG22  THR   7          HG22      THR   7  -0.939 -10.329  -1.580
   59   HG23  THR   7          HG23      THR   7  -0.946 -11.324  -3.026
   60    H    ASP   8           H        ASP   8   2.290 -10.846  -0.057
   61    HA   ASP   8           HA       ASP   8   0.304 -10.180   1.819
   62    HB2  ASP   8           HB2      ASP   8   1.263 -12.378   1.872
   63    HB3  ASP   8           HB3      ASP   8   2.868 -11.716   2.159
   64    H    ASP   9           H        ASP   9   3.474  -8.861   1.285
   65    HA   ASP   9           HA       ASP   9   3.793  -7.645   3.849
   66    HB2  ASP   9           HB2      ASP   9   4.864  -6.746   1.167
   67    HB3  ASP   9           HB3      ASP   9   5.337  -6.041   2.699
   68    H    LEU  10           H        LEU  10   2.450  -6.573   0.802
   69    HA   LEU  10           HA       LEU  10   1.674  -3.996   1.717
   70    HB2  LEU  10           HB2      LEU  10   2.059  -4.616  -0.656
   71    HB3  LEU  10           HB3      LEU  10   0.626  -5.618  -0.602
   72    HG   LEU  10           HG       LEU  10  -0.748  -3.606  -0.216
   73   HD11  LEU  10          HD11      LEU  10   0.935  -2.216   0.877
   74   HD12  LEU  10          HD12      LEU  10   0.246  -1.397  -0.524
   75   HD13  LEU  10          HD13      LEU  10   1.849  -2.124  -0.629
   76   HD21  LEU  10          HD21      LEU  10  -0.519  -2.698  -2.470
   77   HD22  LEU  10          HD22      LEU  10  -0.406  -4.456  -2.464
   78   HD23  LEU  10          HD23      LEU  10   1.054  -3.480  -2.625
   79    H    ARG  11           H        ARG  11   0.079  -7.099   1.388
   80    HA   ARG  11           HA       ARG  11  -2.528  -6.585   2.129
   81    HB2  ARG  11           HB2      ARG  11  -1.746  -8.754   1.402
   82    HB3  ARG  11           HB3      ARG  11  -0.727  -8.901   2.816
   83    HG2  ARG  11           HG2      ARG  11  -2.777  -8.982   4.209
   84    HG3  ARG  11           HG3      ARG  11  -3.728  -8.990   2.715
   85    HD2  ARG  11           HD2      ARG  11  -2.614 -10.997   1.972
   86    HD3  ARG  11           HD3      ARG  11  -1.570 -10.975   3.385
   87    HE   ARG  11           HE       ARG  11  -4.468 -11.237   3.690
   88   HH11  ARG  11          HH11      ARG  11  -1.187 -12.501   4.200
   89   HH12  ARG  11          HH12      ARG  11  -1.684 -13.907   4.976
   90   HH21  ARG  11          HH21      ARG  11  -5.172 -13.166   4.790
   91   HH22  ARG  11          HH22      ARG  11  -4.046 -14.326   5.342
   92    H    ARG  12           H        ARG  12   0.218  -7.340   4.243
   93    HA   ARG  12           HA       ARG  12  -1.017  -7.110   6.733
   94    HB2  ARG  12           HB2      ARG  12   1.846  -6.508   5.973
   95    HB3  ARG  12           HB3      ARG  12   1.276  -6.669   7.631
   96    HG2  ARG  12           HG2      ARG  12   0.680  -8.999   7.186
   97    HG3  ARG  12           HG3      ARG  12   1.237  -8.821   5.521
   98    HD2  ARG  12           HD2      ARG  12   3.486  -8.245   6.378
   99    HD3  ARG  12           HD3      ARG  12   2.910  -8.548   8.015
  100    HE   ARG  12           HE       ARG  12   2.751 -10.689   6.012
  101   HH11  ARG  12          HH11      ARG  12   4.109  -9.500   9.093
  102   HH12  ARG  12          HH12      ARG  12   4.971 -10.961   9.364
  103   HH21  ARG  12          HH21      ARG  12   3.964 -12.677   6.506
  104   HH22  ARG  12          HH22      ARG  12   4.872 -12.711   7.955
  105    H    ALA  13           H        ALA  13   0.257  -4.632   4.623
  106    HA   ALA  13           HA       ALA  13   0.091  -2.526   6.531
  107    HB1  ALA  13           HB1      ALA  13   0.191  -2.359   3.516
  108    HB2  ALA  13           HB2      ALA  13   1.588  -2.381   4.593
  109    HB3  ALA  13           HB3      ALA  13   0.460  -1.025   4.639
  110    H    LEU  14           H        LEU  14  -1.985  -3.635   3.882
  111    HA   LEU  14           HA       LEU  14  -3.929  -1.617   4.228
  112    HB2  LEU  14           HB2      LEU  14  -3.911  -4.174   2.708
  113    HB3  LEU  14           HB3      LEU  14  -5.459  -3.428   3.025
  114    HG   LEU  14           HG       LEU  14  -4.607  -1.357   1.892
  115   HD11  LEU  14          HD11      LEU  14  -2.715  -1.511   0.413
  116   HD12  LEU  14          HD12      LEU  14  -2.335  -3.119   1.037
  117   HD13  LEU  14          HD13      LEU  14  -2.230  -1.708   2.096
  118   HD21  LEU  14          HD21      LEU  14  -4.680  -3.875   0.255
  119   HD22  LEU  14          HD22      LEU  14  -4.873  -2.235  -0.364
  120   HD23  LEU  14          HD23      LEU  14  -6.064  -2.901   0.752
  121    H    VAL  15           H        VAL  15  -3.455  -4.527   5.948
  122    HA   VAL  15           HA       VAL  15  -6.029  -4.782   7.092
  123    HB   VAL  15           HB       VAL  15  -3.337  -5.399   8.386
  124   HG11  VAL  15          HG11      VAL  15  -4.598  -6.924   9.848
  125   HG12  VAL  15          HG12      VAL  15  -6.104  -6.382   9.108
  126   HG13  VAL  15          HG13      VAL  15  -5.126  -5.252  10.047
  127   HG21  VAL  15          HG21      VAL  15  -3.660  -6.628   6.304
  128   HG22  VAL  15          HG22      VAL  15  -5.230  -7.199   6.871
  129   HG23  VAL  15          HG23      VAL  15  -3.756  -7.716   7.689
  130    H    GLU  16           H        GLU  16  -3.126  -3.271   8.515
  131    HA   GLU  16           HA       GLU  16  -4.537  -2.003  10.624
  132    HB2  GLU  16           HB2      GLU  16  -1.829  -1.267   9.522
  133    HB3  GLU  16           HB3      GLU  16  -2.470  -0.839  11.097
  134    HG2  GLU  16           HG2      GLU  16  -2.505  -3.251  11.673
  135    HG3  GLU  16           HG3      GLU  16  -1.720  -3.583  10.127
  136    H    SER  17           H        SER  17  -3.883  -1.079   7.353
  137    HA   SER  17           HA       SER  17  -4.045   1.733   7.794
  138    HB2  SER  17           HB2      SER  17  -2.757   0.618   5.942
  139    HB3  SER  17           HB3      SER  17  -4.299   0.254   5.175
  140    HG   SER  17           HG       SER  17  -4.685   2.552   5.177
  141    H    ALA  18           H        ALA  18  -6.349  -0.771   6.802
  142    HA   ALA  18           HA       ALA  18  -8.400   1.091   6.111
  143    HB1  ALA  18           HB1      ALA  18  -8.619  -1.844   6.800
  144    HB2  ALA  18           HB2      ALA  18  -8.352  -1.185   5.188
  145    HB3  ALA  18           HB3      ALA  18  -9.868  -0.867   6.029
  146    H    GLY  19           H        GLY  19  -7.326  -0.455   8.979
  147    HA2  GLY  19           HA2      GLY  19  -7.921   0.783  11.054
  148    HA3  GLY  19           HA3      GLY  19  -9.593   0.656  10.491
  149    H    GLU  20           H        GLU  20  -9.688  -1.785   9.482
  150    HA   GLU  20           HA       GLU  20  -8.648  -3.654  11.390
  151    HB2  GLU  20           HB2      GLU  20 -10.834  -4.736  11.746
  152    HB3  GLU  20           HB3      GLU  20 -10.843  -3.094  12.350
  153    HG2  GLU  20           HG2      GLU  20 -12.034  -3.960   9.722
  154    HG3  GLU  20           HG3      GLU  20 -12.933  -3.811  11.224
  155    H    THR  21           H        THR  21  -9.358  -5.932  10.565
  156    HA   THR  21           HA       THR  21  -8.375  -6.078   7.915
  157    HB   THR  21           HB       THR  21  -7.714  -7.803   9.460
  158    HG1  THR  21           HG1      THR  21  -8.104  -9.636   8.241
  159   HG21  THR  21          HG21      THR  21  -9.665  -7.892  10.933
  160   HG22  THR  21          HG22      THR  21  -9.278  -9.511  10.352
  161   HG23  THR  21          HG23      THR  21 -10.627  -8.620   9.647
  162    H    ASP  22           H        ASP  22  -9.893  -4.789   6.915
  163    HA   ASP  22           HA       ASP  22 -12.572  -5.126   6.386
  164    HB2  ASP  22           HB2      ASP  22 -11.191  -3.275   5.490
  165    HB3  ASP  22           HB3      ASP  22 -10.420  -4.395   4.375
  166    H    GLY  23           H        GLY  23 -10.026  -6.368   4.267
  167    HA2  GLY  23           HA2      GLY  23  -9.721  -8.363   3.226
  168    HA3  GLY  23           HA3      GLY  23 -10.801  -9.049   4.421
  169    H    THR  24           H        THR  24 -11.192  -6.822   1.662
  170    HA   THR  24           HA       THR  24 -13.467  -8.432   0.871
  171    HB   THR  24           HB       THR  24 -13.782  -5.980   0.859
  172    HG1  THR  24           HG1      THR  24 -14.051  -6.020  -1.750
  173   HG21  THR  24          HG21      THR  24 -11.528  -5.212   0.334
  174   HG22  THR  24          HG22      THR  24 -12.682  -4.522  -0.806
  175   HG23  THR  24          HG23      THR  24 -11.662  -5.874  -1.296
  176    H    ASP  25           H        ASP  25 -11.961 -10.167   0.648
  177    HA   ASP  25           HA       ASP  25 -10.568 -11.604  -0.294
  178    HB2  ASP  25           HB2      ASP  25 -12.324 -11.534  -2.153
  179    HB3  ASP  25           HB3      ASP  25 -11.288 -10.388  -2.994
  180    H    LEU  26           H        LEU  26  -9.070 -10.458   0.838
  181    HA   LEU  26           HA       LEU  26  -7.289  -8.649  -0.676
  182    HB2  LEU  26           HB2      LEU  26  -8.583  -7.760   1.291
  183    HB3  LEU  26           HB3      LEU  26  -7.698  -8.873   2.307
  184    HG   LEU  26           HG       LEU  26  -5.594  -7.681   1.676
  185   HD11  LEU  26          HD11      LEU  26  -7.516  -5.754   0.392
  186   HD12  LEU  26          HD12      LEU  26  -6.335  -6.763  -0.446
  187   HD13  LEU  26          HD13      LEU  26  -5.792  -5.480   0.636
  188   HD21  LEU  26          HD21      LEU  26  -6.026  -5.722   3.070
  189   HD22  LEU  26          HD22      LEU  26  -6.785  -7.160   3.760
  190   HD23  LEU  26          HD23      LEU  26  -7.759  -5.971   2.890
  191    H    SER  27           H        SER  27  -7.524 -11.716   0.603
  192    HA   SER  27           HA       SER  27  -4.675 -11.908   1.183
  193    HB2  SER  27           HB2      SER  27  -6.887 -13.923   1.615
  194    HB3  SER  27           HB3      SER  27  -5.202 -14.056   2.154
  195    HG   SER  27           HG       SER  27  -7.272 -12.785   3.373
  196    H    GLY  28           H        GLY  28  -3.377 -13.510   0.085
  197    HA2  GLY  28           HA2      GLY  28  -2.983 -15.089  -1.580
  198    HA3  GLY  28           HA3      GLY  28  -4.582 -14.772  -2.253
  199    H    ASP  29           H        ASP  29  -4.913 -12.566  -3.085
  200    HA   ASP  29           HA       ASP  29  -2.675 -10.970  -3.819
  201    HB2  ASP  29           HB2      ASP  29  -2.773 -12.886  -5.598
  202    HB3  ASP  29           HB3      ASP  29  -4.263 -12.120  -6.131
  203    H    PHE  30           H        PHE  30  -3.468  -9.024  -4.724
  204    HA   PHE  30           HA       PHE  30  -6.300  -8.555  -4.975
  205    HB2  PHE  30           HB2      PHE  30  -6.436  -6.887  -3.134
  206    HB3  PHE  30           HB3      PHE  30  -6.136  -8.513  -2.536
  207    HD1  PHE  30           HD2      PHE  30  -3.859  -9.117  -1.724
  208    HD2  PHE  30           HD1      PHE  30  -4.892  -5.125  -2.754
  209    HE1  PHE  30           HE2      PHE  30  -1.905  -8.292  -0.489
  210    HE2  PHE  30           HE1      PHE  30  -2.937  -4.301  -1.521
  211    HZ   PHE  30           HZ       PHE  30  -1.466  -5.881  -0.357
  212    H    LEU  31           H        LEU  31  -3.375  -8.112  -6.033
  213    HA   LEU  31           HA       LEU  31  -2.910  -5.366  -6.031
  214    HB2  LEU  31           HB2      LEU  31  -1.709  -7.592  -7.621
  215    HB3  LEU  31           HB3      LEU  31  -1.295  -5.925  -7.958
  216    HG   LEU  31           HG       LEU  31  -0.500  -5.692  -5.599
  217   HD11  LEU  31          HD11      LEU  31  -1.783  -7.446  -4.536
  218   HD12  LEU  31          HD12      LEU  31  -0.053  -7.673  -4.265
  219   HD13  LEU  31          HD13      LEU  31  -0.899  -8.665  -5.452
  220   HD21  LEU  31          HD21      LEU  31   1.074  -6.129  -7.381
  221   HD22  LEU  31          HD22      LEU  31   0.810  -7.866  -7.207
  222   HD23  LEU  31          HD23      LEU  31   1.565  -6.955  -5.901
  223    H    ASP  32           H        ASP  32  -5.081  -7.111  -7.960
  224    HA   ASP  32           HA       ASP  32  -5.095  -5.043 -10.033
  225    HB2  ASP  32           HB2      ASP  32  -6.558  -7.683  -9.882
  226    HB3  ASP  32           HB3      ASP  32  -6.749  -6.523 -11.191
  227    H    LEU  33           H        LEU  33  -6.503  -5.369  -7.106
  228    HA   LEU  33           HA       LEU  33  -9.190  -4.597  -7.818
  229    HB2  LEU  33           HB2      LEU  33  -7.785  -4.674  -5.155
  230    HB3  LEU  33           HB3      LEU  33  -9.481  -4.297  -5.376
  231    HG   LEU  33           HG       LEU  33  -8.158  -6.939  -5.986
  232   HD11  LEU  33          HD11      LEU  33  -9.494  -7.740  -4.105
  233   HD12  LEU  33          HD12      LEU  33 -10.074  -6.096  -3.826
  234   HD13  LEU  33          HD13      LEU  33  -8.364  -6.477  -3.609
  235   HD21  LEU  33          HD21      LEU  33 -10.440  -7.738  -6.379
  236   HD22  LEU  33          HD22      LEU  33  -9.997  -6.469  -7.522
  237   HD23  LEU  33          HD23      LEU  33 -11.051  -6.098  -6.157
  238    H    ARG  34           H        ARG  34 -10.031  -2.565  -7.706
  239    HA   ARG  34           HA       ARG  34  -8.202  -0.346  -7.779
  240    HB2  ARG  34           HB2      ARG  34 -11.217  -0.357  -7.565
  241    HB3  ARG  34           HB3      ARG  34 -10.234   1.071  -7.809
  242    HG2  ARG  34           HG2      ARG  34  -9.484   0.118  -9.961
  243    HG3  ARG  34           HG3      ARG  34 -10.598  -1.231  -9.700
  244    HD2  ARG  34           HD2      ARG  34 -11.390   1.679  -9.804
  245    HD3  ARG  34           HD3      ARG  34 -11.542   0.547 -11.140
  246    HE   ARG  34           HE       ARG  34 -12.978  -0.736  -9.425
  247   HH11  ARG  34          HH11      ARG  34 -12.863   2.856  -9.581
  248   HH12  ARG  34          HH12      ARG  34 -14.542   3.035  -9.378
  249   HH21  ARG  34          HH21      ARG  34 -15.350  -0.391  -9.038
  250   HH22  ARG  34          HH22      ARG  34 -15.938   1.198  -9.019
  251    H    PHE  35           H        PHE  35  -7.498   0.806  -6.062
  252    HA   PHE  35           HA       PHE  35  -8.200   0.384  -3.430
  253    HB2  PHE  35           HB2      PHE  35  -7.133   2.851  -4.785
  254    HB3  PHE  35           HB3      PHE  35  -7.520   2.867  -3.071
  255    HD1  PHE  35           HD2      PHE  35  -6.419   0.864  -1.702
  256    HD2  PHE  35           HD1      PHE  35  -5.008   2.335  -5.428
  257    HE1  PHE  35           HE2      PHE  35  -4.214  -0.112  -1.250
  258    HE2  PHE  35           HE1      PHE  35  -2.799   1.355  -4.990
  259    HZ   PHE  35           HZ       PHE  35  -2.370   0.280  -2.735
  260    H    GLU  36           H        GLU  36  -9.701   2.551  -5.755
  261    HA   GLU  36           HA       GLU  36 -11.632   3.878  -4.256
  262    HB2  GLU  36           HB2      GLU  36 -12.056   2.659  -6.986
  263    HB3  GLU  36           HB3      GLU  36 -12.981   3.968  -6.277
  264    HG2  GLU  36           HG2      GLU  36 -11.038   5.403  -6.360
  265    HG3  GLU  36           HG3      GLU  36 -10.074   4.075  -7.010
  266    H    ASP  37           H        ASP  37 -11.578   0.592  -5.400
  267    HA   ASP  37           HA       ASP  37 -14.360   0.089  -4.793
  268    HB2  ASP  37           HB2      ASP  37 -13.397  -0.890  -6.807
  269    HB3  ASP  37           HB3      ASP  37 -12.179  -1.718  -5.847
  270    H    ILE  38           H        ILE  38 -11.225  -0.487  -3.384
  271    HA   ILE  38           HA       ILE  38 -12.420  -2.324  -1.466
  272    HB   ILE  38           HB       ILE  38 -10.159  -2.841  -0.676
  273   HG12  ILE  38          HG12      ILE  38  -9.241  -0.808  -2.738
  274   HG13  ILE  38          HG13      ILE  38  -9.119  -0.653  -0.988
  275   HG21  ILE  38          HG21      ILE  38 -10.422  -2.918  -3.678
  276   HG22  ILE  38          HG22      ILE  38 -11.056  -4.107  -2.537
  277   HG23  ILE  38          HG23      ILE  38  -9.314  -3.903  -2.722
  278   HD11  ILE  38          HD11      ILE  38  -7.561  -2.520  -0.919
  279   HD12  ILE  38          HD12      ILE  38  -6.985  -1.234  -1.979
  280   HD13  ILE  38          HD13      ILE  38  -7.686  -2.698  -2.670
  281    H    GLY  39           H        GLY  39 -12.752   0.659  -1.522
  282    HA2  GLY  39           HA2      GLY  39 -13.487   2.047   0.194
  283    HA3  GLY  39           HA3      GLY  39 -12.833   0.904   1.351
  284    H    TYR  40           H        TYR  40 -10.663   1.995  -1.085
  285    HA   TYR  40           HA       TYR  40  -9.408   3.747   0.892
  286    HB2  TYR  40           HB2      TYR  40  -8.257   2.009  -1.276
  287    HB3  TYR  40           HB3      TYR  40  -7.344   3.373  -0.649
  288    HD1  TYR  40           HD1      TYR  40  -9.329   0.533   0.678
  289    HD2  TYR  40           HD2      TYR  40  -5.788   2.845   1.021
  290    HE1  TYR  40           HE1      TYR  40  -8.556  -0.934   2.466
  291    HE2  TYR  40           HE2      TYR  40  -5.004   1.373   2.830
  292    HH   TYR  40           HH       TYR  40  -5.876  -0.227   4.436
  293    H    ASP  41           H        ASP  41 -10.096   5.715   0.512
  294    HA   ASP  41           HA       ASP  41 -10.693   6.583  -2.174
  295    HB2  ASP  41           HB2      ASP  41 -12.243   7.159  -0.431
  296    HB3  ASP  41           HB3      ASP  41 -10.973   7.952   0.490
  297    H    SER  42           H        SER  42  -8.425   7.444   0.364
  298    HA   SER  42           HA       SER  42  -6.303   8.171  -1.341
  299    HB2  SER  42           HB2      SER  42  -6.312  10.649  -0.993
  300    HB3  SER  42           HB3      SER  42  -7.666  10.098  -1.990
  301    H    LEU  43           H        LEU  43  -7.841   9.348   1.621
  302    HA   LEU  43           HA       LEU  43  -5.433   9.762   3.026
  303    HB2  LEU  43           HB2      LEU  43  -8.197   9.265   4.122
  304    HB3  LEU  43           HB3      LEU  43  -6.839   9.839   5.066
  305    HG   LEU  43           HG       LEU  43  -8.171  11.309   2.794
  306   HD11  LEU  43          HD11      LEU  43  -9.513  11.237   4.820
  307   HD12  LEU  43          HD12      LEU  43  -8.880  12.859   4.539
  308   HD13  LEU  43          HD13      LEU  43  -8.142  11.823   5.761
  309   HD21  LEU  43          HD21      LEU  43  -6.704  13.172   3.408
  310   HD22  LEU  43          HD22      LEU  43  -5.776  11.772   2.872
  311   HD23  LEU  43          HD23      LEU  43  -5.895  12.145   4.594
  312    H    ALA  44           H        ALA  44  -7.662   7.040   2.990
  313    HA   ALA  44           HA       ALA  44  -6.223   5.433   4.800
  314    HB1  ALA  44           HB1      ALA  44  -7.488   3.561   3.866
  315    HB2  ALA  44           HB2      ALA  44  -7.991   4.568   2.510
  316    HB3  ALA  44           HB3      ALA  44  -8.540   4.949   4.142
  317    H    LEU  45           H        LEU  45  -5.959   5.981   1.371
  318    HA   LEU  45           HA       LEU  45  -4.193   3.835   0.772
  319    HB2  LEU  45           HB2      LEU  45  -5.679   5.504  -0.747
  320    HB3  LEU  45           HB3      LEU  45  -4.148   6.327  -0.801
  321    HG   LEU  45           HG       LEU  45  -4.539   3.561  -1.622
  322   HD11  LEU  45          HD11      LEU  45  -4.396   6.079  -3.276
  323   HD12  LEU  45          HD12      LEU  45  -5.801   5.025  -3.058
  324   HD13  LEU  45          HD13      LEU  45  -4.385   4.436  -3.927
  325   HD21  LEU  45          HD21      LEU  45  -2.358   3.822  -2.765
  326   HD22  LEU  45          HD22      LEU  45  -2.237   4.008  -1.015
  327   HD23  LEU  45          HD23      LEU  45  -2.217   5.432  -2.059
  328    H    MET  46           H        MET  46  -3.748   7.248   1.531
  329    HA   MET  46           HA       MET  46  -0.934   7.387   1.322
  330    HB2  MET  46           HB2      MET  46  -2.811   8.959   3.092
  331    HB3  MET  46           HB3      MET  46  -1.116   9.350   2.844
  332    HG2  MET  46           HG2      MET  46  -1.528   9.667   0.508
  333    HG3  MET  46           HG3      MET  46  -3.228   9.270   0.725
  334    HE1  MET  46           HE1      MET  46  -3.943  11.503  -0.456
  335    HE2  MET  46           HE2      MET  46  -2.248  11.928  -0.693
  336    HE3  MET  46           HE3      MET  46  -3.361  13.099   0.012
  337    H    GLU  47           H        GLU  47  -3.099   6.489   3.864
  338    HA   GLU  47           HA       GLU  47  -1.335   6.361   6.024
  339    HB2  GLU  47           HB2      GLU  47  -3.894   6.225   5.813
  340    HB3  GLU  47           HB3      GLU  47  -3.645   4.503   5.614
  341    HG2  GLU  47           HG2      GLU  47  -4.116   4.840   7.907
  342    HG3  GLU  47           HG3      GLU  47  -2.386   4.513   7.782
  343    H    THR  48           H        THR  48  -2.257   4.028   3.543
  344    HA   THR  48           HA       THR  48  -0.920   1.737   4.406
  345    HB   THR  48           HB       THR  48  -1.471   2.749   1.614
  346    HG1  THR  48           HG1      THR  48  -3.112   1.996   3.553
  347   HG21  THR  48          HG21      THR  48  -0.903  -0.060   2.590
  348   HG22  THR  48          HG22      THR  48   0.167   0.931   1.597
  349   HG23  THR  48          HG23      THR  48  -1.374   0.377   0.946
  350    H    ALA  49           H        ALA  49   0.061   4.211   2.054
  351    HA   ALA  49           HA       ALA  49   2.644   3.300   1.553
  352    HB1  ALA  49           HB1      ALA  49   1.503   4.972   0.175
  353    HB2  ALA  49           HB2      ALA  49   3.085   5.550   0.703
  354    HB3  ALA  49           HB3      ALA  49   1.622   6.138   1.493
  355    H    ALA  50           H        ALA  50   1.516   5.774   3.824
  356    HA   ALA  50           HA       ALA  50   3.942   6.487   4.979
  357    HB1  ALA  50           HB1      ALA  50   2.611   7.394   6.794
  358    HB2  ALA  50           HB2      ALA  50   1.219   6.453   6.257
  359    HB3  ALA  50           HB3      ALA  50   1.859   7.740   5.236
  360    H    ARG  51           H        ARG  51   1.785   3.850   5.702
  361    HA   ARG  51           HA       ARG  51   2.782   2.965   8.177
  362    HB2  ARG  51           HB2      ARG  51   0.694   2.155   7.140
  363    HB3  ARG  51           HB3      ARG  51   1.624   1.390   5.866
  364    HG2  ARG  51           HG2      ARG  51   1.283  -0.425   7.147
  365    HG3  ARG  51           HG3      ARG  51   2.719   0.173   7.971
  366    HD2  ARG  51           HD2      ARG  51  -0.142   0.663   8.775
  367    HD3  ARG  51           HD3      ARG  51   0.969  -0.460   9.540
  368    HE   ARG  51           HE       ARG  51   1.762   2.348   9.536
  369   HH11  ARG  51          HH11      ARG  51   0.440  -0.396  11.341
  370   HH12  ARG  51          HH12      ARG  51   0.435   0.408  12.824
  371   HH21  ARG  51          HH21      ARG  51   1.807   3.430  11.518
  372   HH22  ARG  51          HH22      ARG  51   1.215   2.671  12.946
  373    H    LEU  52           H        LEU  52   3.501   1.970   4.868
  374    HA   LEU  52           HA       LEU  52   5.627   0.272   5.659
  375    HB2  LEU  52           HB2      LEU  52   4.909   1.261   2.898
  376    HB3  LEU  52           HB3      LEU  52   6.060  -0.016   3.260
  377    HG   LEU  52           HG       LEU  52   3.101  -0.114   3.835
  378   HD11  LEU  52          HD11      LEU  52   4.777  -1.613   1.859
  379   HD12  LEU  52          HD12      LEU  52   3.625  -0.322   1.464
  380   HD13  LEU  52          HD13      LEU  52   3.052  -1.849   2.138
  381   HD21  LEU  52          HD21      LEU  52   3.517  -2.445   4.471
  382   HD22  LEU  52          HD22      LEU  52   4.379  -1.323   5.525
  383   HD23  LEU  52          HD23      LEU  52   5.249  -2.191   4.260
  384    H    GLU  53           H        GLU  53   5.446   3.623   4.697
  385    HA   GLU  53           HA       GLU  53   8.135   4.067   4.149
  386    HB2  GLU  53           HB2      GLU  53   6.135   5.947   5.380
  387    HB3  GLU  53           HB3      GLU  53   7.739   6.450   4.868
  388    HG2  GLU  53           HG2      GLU  53   7.122   5.676   2.562
  389    HG3  GLU  53           HG3      GLU  53   5.480   5.439   3.154
  390    H    SER  54           H        SER  54   6.483   4.471   7.283
  391    HA   SER  54           HA       SER  54   8.823   5.044   8.703
  392    HB2  SER  54           HB2      SER  54   7.360   4.439  10.668
  393    HB3  SER  54           HB3      SER  54   6.695   5.661   9.582
  394    HG   SER  54           HG       SER  54   5.269   3.882  10.249
  395    H    ARG  55           H        ARG  55   7.135   2.095   8.023
  396    HA   ARG  55           HA       ARG  55   8.540   0.392   9.770
  397    HB2  ARG  55           HB2      ARG  55   6.301  -0.069   8.921
  398    HB3  ARG  55           HB3      ARG  55   6.946  -0.275   7.306
  399    HG2  ARG  55           HG2      ARG  55   8.093  -2.275   7.976
  400    HG3  ARG  55           HG3      ARG  55   7.625  -2.021   9.662
  401    HD2  ARG  55           HD2      ARG  55   5.279  -2.242   9.076
  402    HD3  ARG  55           HD3      ARG  55   5.692  -2.408   7.374
  403    HE   ARG  55           HE       ARG  55   7.060  -4.418   8.480
  404   HH11  ARG  55          HH11      ARG  55   3.627  -3.465   8.983
  405   HH12  ARG  55          HH12      ARG  55   3.071  -5.043   9.148
  406   HH21  ARG  55          HH21      ARG  55   6.253  -6.623   8.666
  407   HH22  ARG  55          HH22      ARG  55   4.619  -6.884   9.004
  408    H    TYR  56           H        TYR  56   8.988   0.858   6.236
  409    HA   TYR  56           HA       TYR  56  11.397  -0.818   6.444
  410    HB2  TYR  56           HB2      TYR  56   9.691  -0.145   4.064
  411    HB3  TYR  56           HB3      TYR  56  11.242  -0.966   3.939
  412    HD1  TYR  56           HD2      TYR  56  11.517  -3.221   4.994
  413    HD2  TYR  56           HD1      TYR  56   7.749  -1.282   4.718
  414    HE1  TYR  56           HE2      TYR  56  10.413  -5.356   5.404
  415    HE2  TYR  56           HE1      TYR  56   6.608  -3.411   5.115
  416    HH   TYR  56           HH       TYR  56   8.170  -6.168   6.248
  417    H    GLY  57           H        GLY  57  10.474   2.442   5.813
  418    HA2  GLY  57           HA2      GLY  57  12.003   4.205   5.713
  419    HA3  GLY  57           HA3      GLY  57  13.271   3.058   5.292
  420    H    VAL  58           H        VAL  58  10.128   3.952   3.957
  421    HA   VAL  58           HA       VAL  58  11.473   4.278   1.390
  422    HB   VAL  58           HB       VAL  58   9.393   3.687   0.185
  423   HG11  VAL  58          HG11      VAL  58   9.394   1.309   0.625
  424   HG12  VAL  58          HG12      VAL  58  10.248   1.604   2.143
  425   HG13  VAL  58          HG13      VAL  58  11.035   1.971   0.600
  426   HG21  VAL  58          HG21      VAL  58   8.317   2.955   2.896
  427   HG22  VAL  58          HG22      VAL  58   7.540   2.617   1.347
  428   HG23  VAL  58          HG23      VAL  58   7.762   4.284   1.881
  429    H    SER  59           H        SER  59   9.930   5.660  -0.153
  430    HA   SER  59           HA       SER  59   8.826   7.852   1.362
  431    HB2  SER  59           HB2      SER  59  10.116   9.402  -0.225
  432    HB3  SER  59           HB3      SER  59  11.025   8.643   1.081
  433    HG   SER  59           HG       SER  59  11.420   8.517  -1.537
  434    H    ILE  60           H        ILE  60   6.846   7.902   0.673
  435    HA   ILE  60           HA       ILE  60   6.341   7.895  -2.225
  436    HB   ILE  60           HB       ILE  60   4.535   6.708  -0.064
  437   HG12  ILE  60          HG12      ILE  60   4.482   4.697  -1.553
  438   HG13  ILE  60          HG13      ILE  60   5.671   5.468  -2.592
  439   HG21  ILE  60          HG21      ILE  60   3.796   7.254  -2.937
  440   HG22  ILE  60          HG22      ILE  60   3.142   8.055  -1.510
  441   HG23  ILE  60          HG23      ILE  60   2.821   6.343  -1.784
  442   HD11  ILE  60          HD11      ILE  60   6.674   3.806  -1.163
  443   HD12  ILE  60          HD12      ILE  60   6.050   4.629   0.267
  444   HD13  ILE  60          HD13      ILE  60   7.266   5.414  -0.741
  445    HA   PRO  61           HA       PRO  61   5.129  12.065  -1.156
  446    HB2  PRO  61           HB2      PRO  61   4.339  12.018  -4.016
  447    HB3  PRO  61           HB3      PRO  61   5.397  13.146  -3.164
  448    HG2  PRO  61           HG2      PRO  61   6.410  11.351  -4.830
  449    HG3  PRO  61           HG3      PRO  61   7.230  11.733  -3.301
  450    HD2  PRO  61           HD2      PRO  61   5.503   9.390  -3.992
  451    HD3  PRO  61           HD3      PRO  61   7.034   9.433  -3.086
  452    H    ASP  62           H        ASP  62   3.203  13.027  -0.751
  453    HA   ASP  62           HA       ASP  62   0.867  11.563  -0.357
  454    HB2  ASP  62           HB2      ASP  62   1.178  14.556  -0.655
  455    HB3  ASP  62           HB3      ASP  62  -0.283  13.766  -0.091
  456    H    ASP  63           H        ASP  63   1.845  13.508  -3.089
  457    HA   ASP  63           HA       ASP  63  -0.713  13.589  -4.382
  458    HB2  ASP  63           HB2      ASP  63   2.012  13.831  -5.689
  459    HB3  ASP  63           HB3      ASP  63   0.480  14.259  -6.419
  460    H    VAL  64           H        VAL  64   2.040  11.487  -4.514
  461    HA   VAL  64           HA       VAL  64   1.107   9.898  -6.742
  462    HB   VAL  64           HB       VAL  64   3.246   9.260  -4.714
  463   HG11  VAL  64          HG11      VAL  64   2.813   8.277  -7.544
  464   HG12  VAL  64          HG12      VAL  64   2.549   7.347  -6.069
  465   HG13  VAL  64          HG13      VAL  64   4.180   7.849  -6.515
  466   HG21  VAL  64          HG21      VAL  64   4.857  10.191  -6.327
  467   HG22  VAL  64          HG22      VAL  64   3.724  11.407  -5.736
  468   HG23  VAL  64          HG23      VAL  64   3.514  10.716  -7.343
  469    H    ALA  65           H        ALA  65   1.109   9.629  -3.243
  470    HA   ALA  65           HA       ALA  65   0.036   7.068  -3.016
  471    HB1  ALA  65           HB1      ALA  65  -0.802   7.810  -0.824
  472    HB2  ALA  65           HB2      ALA  65  -0.440   9.485  -1.281
  473    HB3  ALA  65           HB3      ALA  65   0.866   8.316  -1.100
  474    H    GLY  66           H        GLY  66  -1.621  10.208  -3.302
  475    HA2  GLY  66           HA2      GLY  66  -4.177   8.862  -3.747
  476    HA3  GLY  66           HA3      GLY  66  -3.910  10.601  -3.669
  477    H    ARG  67           H        ARG  67  -2.407   8.116  -5.609
  478    HA   ARG  67           HA       ARG  67  -3.432   9.307  -8.085
  479    HB2  ARG  67           HB2      ARG  67  -1.349  10.464  -7.727
  480    HB3  ARG  67           HB3      ARG  67  -0.515   8.954  -7.416
  481    HG2  ARG  67           HG2      ARG  67  -0.818   8.306  -9.735
  482    HG3  ARG  67           HG3      ARG  67  -1.687   9.815 -10.041
  483    HD2  ARG  67           HD2      ARG  67   0.281  11.097  -9.451
  484    HD3  ARG  67           HD3      ARG  67   1.154   9.615  -9.059
  485    HE   ARG  67           HE       ARG  67   0.980   9.011 -11.393
  486   HH11  ARG  67          HH11      ARG  67   0.534  12.416 -10.537
  487   HH12  ARG  67          HH12      ARG  67   0.945  13.015 -12.074
  488   HH21  ARG  67          HH21      ARG  67   1.614   9.843 -13.530
  489   HH22  ARG  67          HH22      ARG  67   1.556  11.520 -13.799
  490    H    VAL  68           H        VAL  68  -1.719   6.710  -6.475
  491    HA   VAL  68           HA       VAL  68  -1.804   4.985  -8.733
  492    HB   VAL  68           HB       VAL  68  -1.059   3.233  -7.022
  493   HG11  VAL  68          HG11      VAL  68   0.505   4.509  -8.416
  494   HG12  VAL  68          HG12      VAL  68   1.175   4.238  -6.807
  495   HG13  VAL  68          HG13      VAL  68   0.503   5.814  -7.231
  496   HG21  VAL  68          HG21      VAL  68  -0.942   5.674  -5.253
  497   HG22  VAL  68          HG22      VAL  68  -0.318   4.074  -4.844
  498   HG23  VAL  68          HG23      VAL  68  -2.058   4.324  -5.036
  499    H    ASP  69           H        ASP  69  -3.255   3.591  -9.332
  500    HA   ASP  69           HA       ASP  69  -5.866   3.737  -8.065
  501    HB2  ASP  69           HB2      ASP  69  -5.867   4.146 -10.403
  502    HB3  ASP  69           HB3      ASP  69  -4.907   2.715 -10.726
  503    H    THR  70           H        THR  70  -3.743   1.140  -9.216
  504    HA   THR  70           HA       THR  70  -5.230  -0.670  -7.472
  505    HB   THR  70           HB       THR  70  -4.084  -2.500  -8.726
  506    HG1  THR  70           HG1      THR  70  -3.079  -0.310 -10.267
  507   HG21  THR  70          HG21      THR  70  -6.291  -1.738  -9.416
  508   HG22  THR  70          HG22      THR  70  -5.329  -2.198 -10.823
  509   HG23  THR  70          HG23      THR  70  -5.557  -0.493 -10.424
  510    HA   PRO  71           HA       PRO  71  -2.096  -1.050  -4.377
  511    HB2  PRO  71           HB2      PRO  71  -2.322  -3.998  -4.780
  512    HB3  PRO  71           HB3      PRO  71  -2.430  -3.055  -3.288
  513    HG2  PRO  71           HG2      PRO  71  -4.621  -4.000  -4.380
  514    HG3  PRO  71           HG3      PRO  71  -4.597  -2.334  -3.757
  515    HD2  PRO  71           HD2      PRO  71  -4.385  -3.305  -6.577
  516    HD3  PRO  71           HD3      PRO  71  -5.316  -1.940  -5.924
  517    H    ARG  72           H        ARG  72  -1.757  -3.044  -7.246
  518    HA   ARG  72           HA       ARG  72   0.913  -3.781  -7.093
  519    HB2  ARG  72           HB2      ARG  72  -0.627  -4.620  -8.794
  520    HB3  ARG  72           HB3      ARG  72  -0.701  -3.030  -9.531
  521    HG2  ARG  72           HG2      ARG  72   1.603  -3.184 -10.213
  522    HG3  ARG  72           HG3      ARG  72   1.791  -4.711  -9.345
  523    HD2  ARG  72           HD2      ARG  72  -0.132  -4.249 -11.618
  524    HD3  ARG  72           HD3      ARG  72   1.455  -5.006 -11.780
  525    HE   ARG  72           HE       ARG  72   0.659  -6.750 -10.276
  526   HH11  ARG  72          HH11      ARG  72  -1.831  -4.773 -11.931
  527   HH12  ARG  72          HH12      ARG  72  -2.986  -6.031 -11.899
  528   HH21  ARG  72          HH21      ARG  72  -1.079  -8.417 -10.205
  529   HH22  ARG  72          HH22      ARG  72  -2.588  -8.049 -10.905
  530    H    GLU  73           H        GLU  73  -0.510  -0.797  -8.310
  531    HA   GLU  73           HA       GLU  73   1.835   0.469  -9.202
  532    HB2  GLU  73           HB2      GLU  73  -0.804   1.565  -8.238
  533    HB3  GLU  73           HB3      GLU  73   0.434   2.528  -9.028
  534    HG2  GLU  73           HG2      GLU  73   0.140   1.414 -11.074
  535    HG3  GLU  73           HG3      GLU  73  -0.773   0.107 -10.320
  536    H    LEU  74           H        LEU  74   0.133   0.513  -6.109
  537    HA   LEU  74           HA       LEU  74   1.809   2.461  -4.873
  538    HB2  LEU  74           HB2      LEU  74  -0.548   1.836  -4.148
  539    HB3  LEU  74           HB3      LEU  74   0.113   0.343  -3.528
  540    HG   LEU  74           HG       LEU  74  -0.430   2.089  -1.803
  541   HD11  LEU  74          HD11      LEU  74   1.576   1.808  -0.454
  542   HD12  LEU  74          HD12      LEU  74   2.446   1.218  -1.872
  543   HD13  LEU  74          HD13      LEU  74   1.085   0.300  -1.226
  544   HD21  LEU  74          HD21      LEU  74   0.268   4.067  -3.006
  545   HD22  LEU  74          HD22      LEU  74   1.942   3.516  -2.992
  546   HD23  LEU  74          HD23      LEU  74   1.143   3.944  -1.479
  547    H    LEU  75           H        LEU  75   1.691  -1.065  -4.793
  548    HA   LEU  75           HA       LEU  75   3.813  -1.543  -3.049
  549    HB2  LEU  75           HB2      LEU  75   2.157  -3.221  -3.837
  550    HB3  LEU  75           HB3      LEU  75   2.952  -3.228  -5.399
  551    HG   LEU  75           HG       LEU  75   5.001  -4.102  -4.332
  552   HD11  LEU  75          HD11      LEU  75   3.288  -4.230  -1.852
  553   HD12  LEU  75          HD12      LEU  75   4.675  -3.169  -2.105
  554   HD13  LEU  75          HD13      LEU  75   4.904  -4.915  -2.029
  555   HD21  LEU  75          HD21      LEU  75   2.501  -5.695  -3.779
  556   HD22  LEU  75          HD22      LEU  75   4.135  -6.352  -3.893
  557   HD23  LEU  75          HD23      LEU  75   3.373  -5.632  -5.311
  558    H    ASP  76           H        ASP  76   3.742  -0.914  -6.489
  559    HA   ASP  76           HA       ASP  76   6.407  -1.478  -7.153
  560    HB2  ASP  76           HB2      ASP  76   4.601  -1.062  -8.795
  561    HB3  ASP  76           HB3      ASP  76   4.610   0.639  -8.347
  562    H    LEU  77           H        LEU  77   4.859   1.462  -5.984
  563    HA   LEU  77           HA       LEU  77   7.050   3.229  -6.102
  564    HB2  LEU  77           HB2      LEU  77   4.866   3.178  -4.029
  565    HB3  LEU  77           HB3      LEU  77   5.849   4.553  -4.473
  566    HG   LEU  77           HG       LEU  77   3.822   3.215  -6.247
  567   HD11  LEU  77          HD11      LEU  77   2.797   4.343  -4.373
  568   HD12  LEU  77          HD12      LEU  77   2.509   5.236  -5.866
  569   HD13  LEU  77          HD13      LEU  77   3.723   5.802  -4.716
  570   HD21  LEU  77          HD21      LEU  77   4.153   5.157  -7.700
  571   HD22  LEU  77          HD22      LEU  77   5.647   4.240  -7.512
  572   HD23  LEU  77          HD23      LEU  77   5.421   5.749  -6.626
  573    H    ILE  78           H        ILE  78   5.913   1.010  -3.673
  574    HA   ILE  78           HA       ILE  78   7.764   1.589  -1.610
  575    HB   ILE  78           HB       ILE  78   6.461  -1.085  -2.202
  576   HG12  ILE  78          HG12      ILE  78   4.745   0.687  -2.051
  577   HG13  ILE  78          HG13      ILE  78   4.645  -0.432  -0.701
  578   HG21  ILE  78          HG21      ILE  78   8.248  -1.245  -0.594
  579   HG22  ILE  78          HG22      ILE  78   6.694  -1.443   0.222
  580   HG23  ILE  78          HG23      ILE  78   7.564   0.083   0.343
  581   HD11  ILE  78          HD11      ILE  78   4.292   1.859   0.010
  582   HD12  ILE  78          HD12      ILE  78   5.868   2.318  -0.636
  583   HD13  ILE  78          HD13      ILE  78   5.763   1.203   0.728
  584    H    ASN  79           H        ASN  79   7.648  -1.019  -4.031
  585    HA   ASN  79           HA       ASN  79  10.113  -2.218  -3.443
  586    HB2  ASN  79           HB2      ASN  79   8.491  -2.223  -5.990
  587    HB3  ASN  79           HB3      ASN  79  10.047  -3.019  -5.905
  588   HD21  ASN  79          HD21      ASN  79   7.624  -2.980  -3.300
  589   HD22  ASN  79          HD22      ASN  79   7.305  -4.683  -3.406
  590    H    GLY  80           H        GLY  80   9.349   0.320  -5.783
  591    HA2  GLY  80           HA2      GLY  80  11.870   0.559  -6.946
  592    HA3  GLY  80           HA3      GLY  80  10.666   1.832  -6.853
  593    H    ALA  81           H        ALA  81  10.552   2.138  -4.086
  594    HA   ALA  81           HA       ALA  81  12.824   3.779  -3.663
  595    HB1  ALA  81           HB1      ALA  81  10.618   4.345  -2.749
  596    HB2  ALA  81           HB2      ALA  81  11.838   4.255  -1.476
  597    HB3  ALA  81           HB3      ALA  81  10.694   2.933  -1.695
  598    H    LEU  82           H        LEU  82  11.770   0.662  -2.398
  599    HA   LEU  82           HA       LEU  82  13.936   0.364  -0.601
  600    HB2  LEU  82           HB2      LEU  82  11.943  -1.592  -1.697
  601    HB3  LEU  82           HB3      LEU  82  13.239  -2.098  -0.628
  602    HG   LEU  82           HG       LEU  82  11.186  -0.004   0.077
  603   HD11  LEU  82          HD11      LEU  82  11.322  -2.898   0.894
  604   HD12  LEU  82          HD12      LEU  82  10.121  -2.176  -0.175
  605   HD13  LEU  82          HD13      LEU  82  10.193  -1.698   1.522
  606   HD21  LEU  82          HD21      LEU  82  13.243  -1.448   1.744
  607   HD22  LEU  82          HD22      LEU  82  12.041  -0.310   2.351
  608   HD23  LEU  82          HD23      LEU  82  13.304   0.246   1.253
  609    H    ALA  83           H        ALA  83  13.555  -0.474  -3.965
  610    HA   ALA  83           HA       ALA  83  15.825  -2.102  -4.229
  611    HB1  ALA  83           HB1      ALA  83  14.643  -0.207  -6.266
  612    HB2  ALA  83           HB2      ALA  83  14.122  -1.869  -5.986
  613    HB3  ALA  83           HB3      ALA  83  15.740  -1.546  -6.610
  614    H    GLU  84           H        GLU  84  15.493   1.283  -3.780
  615    HA   GLU  84           HA       GLU  84  18.223   1.852  -4.564
  616    HB2  GLU  84           HB2      GLU  84  15.976   3.596  -3.581
  617    HB3  GLU  84           HB3      GLU  84  17.602   4.198  -3.872
  618    HG2  GLU  84           HG2      GLU  84  15.854   2.877  -5.931
  619    HG3  GLU  84           HG3      GLU  84  16.086   4.619  -5.750
  620    H    ALA  85           H        ALA  85  16.706   0.688  -1.874
  621    HA   ALA  85           HA       ALA  85  18.379   2.046   0.049
  622    HB1  ALA  85           HB1      ALA  85  16.370  -0.187   0.398
  623    HB2  ALA  85           HB2      ALA  85  16.065   1.530   0.664
  624    HB3  ALA  85           HB3      ALA  85  17.195   0.663   1.704
  625    H    ALA  86           H        ALA  86  20.123   1.133   1.008
  626    HA   ALA  86           HA       ALA  86  20.908  -1.547   0.552
  627    HB1  ALA  86           HB1      ALA  86  21.459  -0.626  -1.660
  628    HB2  ALA  86           HB2      ALA  86  22.924  -1.024  -0.763
  629    HB3  ALA  86           HB3      ALA  86  22.400   0.655  -0.896
  630    H28  SXA  87          H28A      SXA  87  -7.931  14.506  -1.456
  631   H28A  SXA  87          H28B      SXA  87  -8.205  14.751   0.269
  632    H30  SXA  87          H30A      SXA  87  -6.295  15.113   1.777
  633   H30A  SXA  87          H30B      SXA  87  -4.670  15.316   1.129
  634   H30B  SXA  87          H30C      SXA  87  -5.437  13.725   1.103
  635    H31  SXA  87          H31A      SXA  87  -4.295  15.140  -1.377
  636   H31A  SXA  87          H31B      SXA  87  -5.670  14.799  -2.430
  637   H31B  SXA  87          H31C      SXA  87  -5.063  13.551  -1.341
  638    H32  SXA  87          H32A      SXA  87  -7.297  16.969   0.047
  639   HO33  SXA  87          H33A      SXA  87  -6.141  17.507  -2.240
  640   HN36  SXA  87          H36A      SXA  87  -5.455  17.234   1.623
  641    H37  SXA  87          H37A      SXA  87  -2.854  17.956   1.159
  642   H37A  SXA  87          H37B      SXA  87  -3.771  19.450   0.937
  643    H38  SXA  87          H38A      SXA  87  -3.842  17.701   3.425
  644   H38A  SXA  87          H38B      SXA  87  -2.807  19.088   3.220
  645   HN41  SXA  87          H41A      SXA  87  -5.564  19.826   1.640
  646    H42  SXA  87          H42A      SXA  87  -7.571  20.485   3.392
  647   H42A  SXA  87          H42B      SXA  87  -6.435  21.835   3.416
  648    H43  SXA  87          H43A      SXA  87  -8.128  22.271   1.741
  649   H43A  SXA  87          H43B      SXA  87  -7.784  20.713   0.978
  650    H2   SXA  87           H2C      SXA  87  -5.842  24.339  -1.415
  651    H2A  SXA  87           H2A      SXA  87  -6.814  23.604  -2.693
  652    H2B  SXA  87           H2B      SXA  87  -5.338  22.805  -2.134
  Start of MODEL   16
    1    H1   MET   1           H1       MET   1  21.057  -7.138  -3.781
    2    H2   MET   1           H2       MET   1  22.175  -8.045  -2.908
    3    H3   MET   1           H3       MET   1  21.899  -6.385  -2.538
    4    HA   MET   1           HA       MET   1  19.897  -8.532  -2.286
    5    HB2  MET   1           HB2      MET   1  21.359  -6.903  -0.193
    6    HB3  MET   1           HB3      MET   1  19.971  -7.927   0.137
    7    HG2  MET   1           HG2      MET   1  21.250  -9.880  -0.548
    8    HG3  MET   1           HG3      MET   1  22.638  -8.849  -0.895
    9    HE1  MET   1           HE1      MET   1  23.717 -10.768   2.345
   10    HE2  MET   1           HE2      MET   1  24.127 -10.383   0.673
   11    HE3  MET   1           HE3      MET   1  22.727 -11.390   1.026
   12    H    ALA   2           H        ALA   2  17.876  -7.809  -1.756
   13    HA   ALA   2           HA       ALA   2  17.481  -4.939  -1.592
   14    HB1  ALA   2           HB1      ALA   2  15.712  -5.003  -3.278
   15    HB2  ALA   2           HB2      ALA   2  16.059  -6.704  -3.589
   16    HB3  ALA   2           HB3      ALA   2  17.264  -5.474  -3.968
   17    H    THR   3           H        THR   3  16.061  -4.496  -0.076
   18    HA   THR   3           HA       THR   3  14.492  -6.665   1.043
   19    HB   THR   3           HB       THR   3  15.651  -5.220   2.656
   20    HG1  THR   3           HG1      THR   3  13.855  -5.927   3.535
   21   HG21  THR   3          HG21      THR   3  15.082  -2.838   2.970
   22   HG22  THR   3          HG22      THR   3  14.057  -2.899   1.537
   23   HG23  THR   3          HG23      THR   3  15.801  -3.129   1.386
   24    H    LEU   4           H        LEU   4  12.642  -7.076  -0.021
   25    HA   LEU   4           HA       LEU   4  11.229  -4.768  -1.171
   26    HB2  LEU   4           HB2      LEU   4  11.275  -7.527  -2.402
   27    HB3  LEU   4           HB3      LEU   4  10.578  -6.077  -3.023
   28    HG   LEU   4           HG       LEU   4  13.553  -6.404  -2.683
   29   HD11  LEU   4          HD11      LEU   4  11.840  -6.623  -5.147
   30   HD12  LEU   4          HD12      LEU   4  12.709  -7.942  -4.359
   31   HD13  LEU   4          HD13      LEU   4  13.603  -6.620  -5.113
   32   HD21  LEU   4          HD21      LEU   4  12.785  -4.087  -2.587
   33   HD22  LEU   4          HD22      LEU   4  11.894  -4.312  -4.092
   34   HD23  LEU   4          HD23      LEU   4  13.655  -4.401  -4.088
   35    H    LEU   5           H        LEU   5   8.937  -5.018  -1.341
   36    HA   LEU   5           HA       LEU   5   7.922  -6.741   0.775
   37    HB2  LEU   5           HB2      LEU   5   6.671  -4.341  -0.540
   38    HB3  LEU   5           HB3      LEU   5   5.870  -5.354   0.640
   39    HG   LEU   5           HG       LEU   5   8.259  -3.589   1.100
   40   HD11  LEU   5          HD11      LEU   5   6.757  -2.472   2.652
   41   HD12  LEU   5          HD12      LEU   5   5.471  -3.605   2.241
   42   HD13  LEU   5          HD13      LEU   5   6.075  -2.481   1.024
   43   HD21  LEU   5          HD21      LEU   5   6.883  -5.494   2.957
   44   HD22  LEU   5          HD22      LEU   5   8.168  -4.362   3.404
   45   HD23  LEU   5          HD23      LEU   5   8.511  -5.704   2.302
   46    H    THR   6           H        THR   6   6.282  -8.116   0.459
   47    HA   THR   6           HA       THR   6   5.829  -8.802  -2.328
   48    HB   THR   6           HB       THR   6   5.045 -10.987  -1.408
   49    HG1  THR   6           HG1      THR   6   5.936  -9.855   1.090
   50   HG21  THR   6          HG21      THR   6   7.277 -11.816  -0.765
   51   HG22  THR   6          HG22      THR   6   7.826 -10.152  -0.547
   52   HG23  THR   6          HG23      THR   6   7.368 -10.731  -2.151
   53    H    THR   7           H        THR   7   3.625 -10.041  -2.448
   54    HA   THR   7           HA       THR   7   1.443  -8.344  -2.392
   55    HB   THR   7           HB       THR   7   1.577 -11.372  -2.203
   56    HG1  THR   7           HG1      THR   7   2.728 -10.548  -4.008
   57   HG21  THR   7          HG21      THR   7  -0.692 -10.530  -1.759
   58   HG22  THR   7          HG22      THR   7  -0.618 -11.346  -3.322
   59   HG23  THR   7          HG23      THR   7  -0.632  -9.584  -3.246
   60    H    ASP   8           H        ASP   8   2.274 -10.929  -0.050
   61    HA   ASP   8           HA       ASP   8   0.200 -10.469   1.758
   62    HB2  ASP   8           HB2      ASP   8   1.487 -12.513   1.823
   63    HB3  ASP   8           HB3      ASP   8   2.945 -11.615   2.241
   64    H    ASP   9           H        ASP   9   3.408  -9.005   1.620
   65    HA   ASP   9           HA       ASP   9   3.304  -7.634   4.125
   66    HB2  ASP   9           HB2      ASP   9   4.787  -6.908   1.607
   67    HB3  ASP   9           HB3      ASP   9   5.029  -6.055   3.115
   68    H    LEU  10           H        LEU  10   2.428  -6.810   0.873
   69    HA   LEU  10           HA       LEU  10   1.730  -4.163   1.305
   70    HB2  LEU  10           HB2      LEU  10   2.141  -5.236  -0.886
   71    HB3  LEU  10           HB3      LEU  10   0.630  -6.100  -0.726
   72    HG   LEU  10           HG       LEU  10  -0.551  -3.903  -0.717
   73   HD11  LEU  10          HD11      LEU  10   1.287  -2.496   0.015
   74   HD12  LEU  10          HD12      LEU  10   0.650  -1.938  -1.532
   75   HD13  LEU  10          HD13      LEU  10   2.164  -2.845  -1.476
   76   HD21  LEU  10          HD21      LEU  10   1.143  -4.572  -3.114
   77   HD22  LEU  10          HD22      LEU  10  -0.285  -3.541  -3.137
   78   HD23  LEU  10          HD23      LEU  10  -0.435  -5.250  -2.722
   79    H    ARG  11           H        ARG  11  -0.224  -7.138   1.131
   80    HA   ARG  11           HA       ARG  11  -2.772  -6.190   1.624
   81    HB2  ARG  11           HB2      ARG  11  -2.455  -8.526   1.083
   82    HB3  ARG  11           HB3      ARG  11  -1.521  -8.792   2.549
   83    HG2  ARG  11           HG2      ARG  11  -3.504  -8.457   3.913
   84    HG3  ARG  11           HG3      ARG  11  -4.450  -8.057   2.484
   85    HD2  ARG  11           HD2      ARG  11  -4.869 -10.350   3.233
   86    HD3  ARG  11           HD3      ARG  11  -4.142 -10.316   1.630
   87    HE   ARG  11           HE       ARG  11  -2.032 -10.628   3.352
   88   HH11  ARG  11          HH11      ARG  11  -5.076 -12.461   2.908
   89   HH12  ARG  11          HH12      ARG  11  -4.308 -13.961   3.170
   90   HH21  ARG  11          HH21      ARG  11  -1.069 -12.783   3.749
   91   HH22  ARG  11          HH22      ARG  11  -2.103 -14.144   3.629
   92    H    ARG  12           H        ARG  12  -0.475  -7.302   4.042
   93    HA   ARG  12           HA       ARG  12  -1.993  -6.736   6.308
   94    HB2  ARG  12           HB2      ARG  12   0.992  -6.876   5.963
   95    HB3  ARG  12           HB3      ARG  12   0.188  -6.802   7.533
   96    HG2  ARG  12           HG2      ARG  12  -0.994  -8.892   6.969
   97    HG3  ARG  12           HG3      ARG  12  -0.101  -8.962   5.455
   98    HD2  ARG  12           HD2      ARG  12   1.126  -8.953   8.203
   99    HD3  ARG  12           HD3      ARG  12   0.859 -10.384   7.218
  100    HE   ARG  12           HE       ARG  12   2.355  -8.724   5.655
  101   HH11  ARG  12          HH11      ARG  12   2.718 -10.242   8.845
  102   HH12  ARG  12          HH12      ARG  12   4.423 -10.301   8.777
  103   HH21  ARG  12          HH21      ARG  12   4.850  -8.860   5.578
  104   HH22  ARG  12          HH22      ARG  12   5.565  -9.549   6.955
  105    H    ALA  13           H        ALA  13  -0.136  -4.599   4.328
  106    HA   ALA  13           HA       ALA  13  -0.009  -2.495   6.263
  107    HB1  ALA  13           HB1      ALA  13   0.448  -2.416   3.290
  108    HB2  ALA  13           HB2      ALA  13   1.682  -2.709   4.515
  109    HB3  ALA  13           HB3      ALA  13   0.865  -1.148   4.440
  110    H    LEU  14           H        LEU  14  -1.936  -3.135   3.342
  111    HA   LEU  14           HA       LEU  14  -3.393  -0.718   3.516
  112    HB2  LEU  14           HB2      LEU  14  -3.938  -3.255   2.011
  113    HB3  LEU  14           HB3      LEU  14  -5.123  -1.980   2.062
  114    HG   LEU  14           HG       LEU  14  -3.395  -0.474   0.992
  115   HD11  LEU  14          HD11      LEU  14  -1.971  -3.072   0.524
  116   HD12  LEU  14          HD12      LEU  14  -1.402  -1.732   1.522
  117   HD13  LEU  14          HD13      LEU  14  -1.582  -1.522  -0.220
  118   HD21  LEU  14          HD21      LEU  14  -5.230  -1.427  -0.248
  119   HD22  LEU  14          HD22      LEU  14  -4.310  -2.909  -0.512
  120   HD23  LEU  14          HD23      LEU  14  -3.770  -1.397  -1.238
  121    H    VAL  15           H        VAL  15  -4.195  -3.993   4.621
  122    HA   VAL  15           HA       VAL  15  -6.850  -3.592   5.336
  123    HB   VAL  15           HB       VAL  15  -4.834  -5.359   6.775
  124   HG11  VAL  15          HG11      VAL  15  -7.853  -5.479   6.757
  125   HG12  VAL  15          HG12      VAL  15  -6.846  -5.007   8.128
  126   HG13  VAL  15          HG13      VAL  15  -6.781  -6.658   7.516
  127   HG21  VAL  15          HG21      VAL  15  -5.738  -7.146   5.358
  128   HG22  VAL  15          HG22      VAL  15  -4.998  -5.862   4.402
  129   HG23  VAL  15          HG23      VAL  15  -6.753  -5.966   4.527
  130    H    GLU  16           H        GLU  16  -4.059  -3.293   7.508
  131    HA   GLU  16           HA       GLU  16  -5.509  -2.364   9.717
  132    HB2  GLU  16           HB2      GLU  16  -2.609  -2.088   9.003
  133    HB3  GLU  16           HB3      GLU  16  -3.283  -1.590  10.551
  134    HG2  GLU  16           HG2      GLU  16  -3.490  -4.363   9.431
  135    HG3  GLU  16           HG3      GLU  16  -2.248  -3.831  10.566
  136    H    SER  17           H        SER  17  -4.167  -0.657   7.011
  137    HA   SER  17           HA       SER  17  -4.427   1.905   8.266
  138    HB2  SER  17           HB2      SER  17  -3.872   1.183   5.405
  139    HB3  SER  17           HB3      SER  17  -3.619   2.762   6.165
  140    HG   SER  17           HG       SER  17  -2.164   0.423   6.339
  141    H    ALA  18           H        ALA  18  -6.569  -0.200   6.706
  142    HA   ALA  18           HA       ALA  18  -8.250   1.771   5.510
  143    HB1  ALA  18           HB1      ALA  18  -8.905  -1.064   6.336
  144    HB2  ALA  18           HB2      ALA  18  -8.296  -0.567   4.758
  145    HB3  ALA  18           HB3      ALA  18  -9.893  -0.040   5.293
  146    H    GLY  19           H        GLY  19  -7.953   0.266   8.620
  147    HA2  GLY  19           HA2      GLY  19  -8.640   1.057  10.674
  148    HA3  GLY  19           HA3      GLY  19  -9.427   2.395   9.855
  149    H    GLU  20           H        GLU  20 -11.311   1.506   8.446
  150    HA   GLU  20           HA       GLU  20 -13.225   0.543  10.324
  151    HB2  GLU  20           HB2      GLU  20 -13.493   1.176   7.385
  152    HB3  GLU  20           HB3      GLU  20 -14.831   0.796   8.462
  153    HG2  GLU  20           HG2      GLU  20 -12.980   3.157   8.663
  154    HG3  GLU  20           HG3      GLU  20 -14.671   3.179   8.157
  155    H    THR  21           H        THR  21 -13.710  -1.419  10.712
  156    HA   THR  21           HA       THR  21 -12.553  -3.535   9.169
  157    HB   THR  21           HB       THR  21 -13.737  -4.934  11.013
  158    HG1  THR  21           HG1      THR  21 -13.750  -2.389  12.305
  159   HG21  THR  21          HG21      THR  21 -11.314  -4.501  10.949
  160   HG22  THR  21          HG22      THR  21 -11.917  -4.442  12.602
  161   HG23  THR  21          HG23      THR  21 -11.573  -2.945  11.736
  162    H    ASP  22           H        ASP  22 -13.868  -2.826   7.339
  163    HA   ASP  22           HA       ASP  22 -16.688  -3.410   7.320
  164    HB2  ASP  22           HB2      ASP  22 -15.724  -1.666   5.860
  165    HB3  ASP  22           HB3      ASP  22 -14.831  -2.909   4.987
  166    H    GLY  23           H        GLY  23 -13.760  -5.045   6.578
  167    HA2  GLY  23           HA2      GLY  23 -13.668  -7.419   6.647
  168    HA3  GLY  23           HA3      GLY  23 -15.347  -7.464   6.127
  169    H    THR  24           H        THR  24 -12.716  -5.601   4.755
  170    HA   THR  24           HA       THR  24 -13.328  -6.678   2.183
  171    HB   THR  24           HB       THR  24 -12.780  -4.323   2.278
  172    HG1  THR  24           HG1      THR  24 -12.044  -5.043   0.369
  173   HG21  THR  24          HG21      THR  24 -11.385  -4.262   4.295
  174   HG22  THR  24          HG22      THR  24 -10.560  -3.469   2.954
  175   HG23  THR  24          HG23      THR  24 -10.091  -5.101   3.439
  176    H    ASP  25           H        ASP  25 -12.649  -8.631   1.668
  177    HA   ASP  25           HA       ASP  25 -10.268  -9.754   2.806
  178    HB2  ASP  25           HB2      ASP  25 -12.096 -11.279   2.247
  179    HB3  ASP  25           HB3      ASP  25 -12.031 -10.773   0.557
  180    H    LEU  26           H        LEU  26  -8.468  -8.939   2.260
  181    HA   LEU  26           HA       LEU  26  -8.084  -7.872  -0.440
  182    HB2  LEU  26           HB2      LEU  26  -7.786  -6.541   1.726
  183    HB3  LEU  26           HB3      LEU  26  -6.368  -7.525   2.007
  184    HG   LEU  26           HG       LEU  26  -5.442  -6.679  -0.151
  185   HD11  LEU  26          HD11      LEU  26  -7.785  -4.789   0.025
  186   HD12  LEU  26          HD12      LEU  26  -7.533  -6.026  -1.206
  187   HD13  LEU  26          HD13      LEU  26  -6.431  -4.653  -1.100
  188   HD21  LEU  26          HD21      LEU  26  -4.826  -4.507   0.769
  189   HD22  LEU  26          HD22      LEU  26  -4.770  -5.767   2.001
  190   HD23  LEU  26          HD23      LEU  26  -6.123  -4.639   1.952
  191    H    SER  27           H        SER  27  -8.026 -10.698   0.325
  192    HA   SER  27           HA       SER  27  -5.214 -11.416   0.178
  193    HB2  SER  27           HB2      SER  27  -7.639 -13.184   0.430
  194    HB3  SER  27           HB3      SER  27  -5.957 -13.604   0.776
  195    HG   SER  27           HG       SER  27  -7.810 -12.223   2.245
  196    H    GLY  28           H        GLY  28  -4.512 -12.915  -1.487
  197    HA2  GLY  28           HA2      GLY  28  -4.763 -14.094  -3.478
  198    HA3  GLY  28           HA3      GLY  28  -6.320 -13.312  -3.728
  199    H    ASP  29           H        ASP  29  -5.971 -12.558  -5.713
  200    HA   ASP  29           HA       ASP  29  -3.614 -10.919  -6.192
  201    HB2  ASP  29           HB2      ASP  29  -5.805 -11.761  -8.114
  202    HB3  ASP  29           HB3      ASP  29  -4.353 -10.867  -8.547
  203    H    PHE  30           H        PHE  30  -4.404  -9.433  -4.625
  204    HA   PHE  30           HA       PHE  30  -6.696  -7.843  -5.389
  205    HB2  PHE  30           HB2      PHE  30  -6.407  -6.633  -3.323
  206    HB3  PHE  30           HB3      PHE  30  -6.308  -8.358  -3.012
  207    HD1  PHE  30           HD2      PHE  30  -4.031  -9.385  -2.702
  208    HD2  PHE  30           HD1      PHE  30  -4.680  -5.189  -2.680
  209    HE1  PHE  30           HE2      PHE  30  -1.876  -9.062  -1.582
  210    HE2  PHE  30           HE1      PHE  30  -2.522  -4.863  -1.569
  211    HZ   PHE  30           HZ       PHE  30  -1.194  -6.745  -0.894
  212    H    LEU  31           H        LEU  31  -3.428  -7.811  -6.084
  213    HA   LEU  31           HA       LEU  31  -2.749  -5.118  -6.035
  214    HB2  LEU  31           HB2      LEU  31  -1.705  -7.335  -7.769
  215    HB3  LEU  31           HB3      LEU  31  -1.107  -5.701  -7.906
  216    HG   LEU  31           HG       LEU  31  -0.390  -5.830  -5.513
  217   HD11  LEU  31          HD11      LEU  31  -1.071  -8.744  -5.801
  218   HD12  LEU  31          HD12      LEU  31  -1.869  -7.580  -4.741
  219   HD13  LEU  31          HD13      LEU  31  -0.179  -8.010  -4.466
  220   HD21  LEU  31          HD21      LEU  31   1.167  -6.162  -7.329
  221   HD22  LEU  31          HD22      LEU  31   0.757  -7.876  -7.393
  222   HD23  LEU  31          HD23      LEU  31   1.564  -7.215  -5.972
  223    H    ASP  32           H        ASP  32  -4.651  -6.809  -8.367
  224    HA   ASP  32           HA       ASP  32  -4.552  -4.567 -10.222
  225    HB2  ASP  32           HB2      ASP  32  -5.754  -6.019 -11.748
  226    HB3  ASP  32           HB3      ASP  32  -4.306  -6.805 -11.131
  227    H    LEU  33           H        LEU  33  -6.244  -5.080  -7.533
  228    HA   LEU  33           HA       LEU  33  -8.884  -4.457  -8.542
  229    HB2  LEU  33           HB2      LEU  33  -7.831  -4.671  -5.724
  230    HB3  LEU  33           HB3      LEU  33  -9.501  -4.358  -6.136
  231    HG   LEU  33           HG       LEU  33  -7.982  -6.884  -6.799
  232   HD11  LEU  33          HD11      LEU  33 -10.138  -6.322  -4.782
  233   HD12  LEU  33          HD12      LEU  33  -8.441  -6.663  -4.428
  234   HD13  LEU  33          HD13      LEU  33  -9.465  -7.911  -5.152
  235   HD21  LEU  33          HD21      LEU  33 -10.166  -7.748  -7.479
  236   HD22  LEU  33          HD22      LEU  33  -9.685  -6.366  -8.461
  237   HD23  LEU  33          HD23      LEU  33 -10.887  -6.166  -7.184
  238    H    ARG  34           H        ARG  34  -9.919  -2.507  -8.228
  239    HA   ARG  34           HA       ARG  34  -8.213  -0.163  -8.136
  240    HB2  ARG  34           HB2      ARG  34 -11.214  -0.412  -8.183
  241    HB3  ARG  34           HB3      ARG  34 -10.347   1.106  -8.244
  242    HG2  ARG  34           HG2      ARG  34  -9.369   0.432 -10.388
  243    HG3  ARG  34           HG3      ARG  34 -10.312  -1.068 -10.318
  244    HD2  ARG  34           HD2      ARG  34 -12.376   0.182 -10.243
  245    HD3  ARG  34           HD3      ARG  34 -11.489   1.699 -10.179
  246    HE   ARG  34           HE       ARG  34 -10.902   0.114 -12.472
  247   HH11  ARG  34          HH11      ARG  34 -13.210   2.577 -11.160
  248   HH12  ARG  34          HH12      ARG  34 -13.615   3.119 -12.724
  249   HH21  ARG  34          HH21      ARG  34 -11.560   1.000 -14.575
  250   HH22  ARG  34          HH22      ARG  34 -12.721   2.264 -14.583
  251    H    PHE  35           H        PHE  35  -7.894   1.187  -6.405
  252    HA   PHE  35           HA       PHE  35  -8.561   0.478  -3.806
  253    HB2  PHE  35           HB2      PHE  35  -7.893   3.195  -4.928
  254    HB3  PHE  35           HB3      PHE  35  -8.187   2.930  -3.213
  255    HD1  PHE  35           HD2      PHE  35  -6.777   1.036  -2.115
  256    HD2  PHE  35           HD1      PHE  35  -5.745   2.996  -5.739
  257    HE1  PHE  35           HE2      PHE  35  -4.433   0.379  -1.795
  258    HE2  PHE  35           HE1      PHE  35  -3.396   2.339  -5.428
  259    HZ   PHE  35           HZ       PHE  35  -2.737   1.034  -3.450
  260    H    GLU  36           H        GLU  36 -10.303   2.682  -5.942
  261    HA   GLU  36           HA       GLU  36 -12.421   3.407  -4.265
  262    HB2  GLU  36           HB2      GLU  36 -13.717   3.794  -6.354
  263    HB3  GLU  36           HB3      GLU  36 -12.110   4.504  -6.384
  264    HG2  GLU  36           HG2      GLU  36 -11.293   2.744  -7.782
  265    HG3  GLU  36           HG3      GLU  36 -12.817   1.872  -7.644
  266    H    ASP  37           H        ASP  37 -11.804   0.443  -5.832
  267    HA   ASP  37           HA       ASP  37 -14.539  -0.490  -5.727
  268    HB2  ASP  37           HB2      ASP  37 -13.124  -1.048  -7.639
  269    HB3  ASP  37           HB3      ASP  37 -12.002  -1.882  -6.572
  270    H    ILE  38           H        ILE  38 -11.541  -0.895  -3.993
  271    HA   ILE  38           HA       ILE  38 -12.769  -2.911  -2.293
  272    HB   ILE  38           HB       ILE  38 -10.506  -3.117  -1.221
  273   HG12  ILE  38          HG12      ILE  38  -9.663  -1.264  -3.472
  274   HG13  ILE  38          HG13      ILE  38  -9.653  -0.867  -1.758
  275   HG21  ILE  38          HG21      ILE  38 -11.216  -4.649  -2.954
  276   HG22  ILE  38          HG22      ILE  38  -9.490  -4.316  -3.107
  277   HG23  ILE  38          HG23      ILE  38 -10.637  -3.539  -4.197
  278   HD11  ILE  38          HD11      ILE  38  -7.938  -2.577  -1.389
  279   HD12  ILE  38          HD12      ILE  38  -7.422  -1.362  -2.557
  280   HD13  ILE  38          HD13      ILE  38  -7.951  -2.952  -3.113
  281    H    GLY  39           H        GLY  39 -13.226   0.089  -2.351
  282    HA2  GLY  39           HA2      GLY  39 -14.064   1.580  -0.811
  283    HA3  GLY  39           HA3      GLY  39 -13.924   0.304   0.386
  284    H    TYR  40           H        TYR  40 -11.277   1.721  -1.483
  285    HA   TYR  40           HA       TYR  40 -10.247   2.871   1.013
  286    HB2  TYR  40           HB2      TYR  40  -8.766   1.804  -1.407
  287    HB3  TYR  40           HB3      TYR  40  -8.017   2.911  -0.277
  288    HD1  TYR  40           HD1      TYR  40 -10.065  -0.199  -0.042
  289    HD2  TYR  40           HD2      TYR  40  -6.616   1.912   1.250
  290    HE1  TYR  40           HE1      TYR  40  -9.449  -2.092   1.385
  291    HE2  TYR  40           HE2      TYR  40  -5.983   0.026   2.683
  292    HH   TYR  40           HH       TYR  40  -7.472  -3.020   2.445
  293    H    ASP  41           H        ASP  41  -9.827   5.001   1.092
  294    HA   ASP  41           HA       ASP  41 -10.945   6.537  -1.060
  295    HB2  ASP  41           HB2      ASP  41 -10.553   8.440   0.478
  296    HB3  ASP  41           HB3      ASP  41 -11.717   7.255   1.141
  297    H    SER  42           H        SER  42  -8.147   7.120   0.895
  298    HA   SER  42           HA       SER  42  -6.105   7.327  -0.912
  299    HB2  SER  42           HB2      SER  42  -5.959   9.789  -1.277
  300    HB3  SER  42           HB3      SER  42  -7.394   9.108  -2.054
  301    H    LEU  43           H        LEU  43  -7.763   8.877   1.835
  302    HA   LEU  43           HA       LEU  43  -5.384   9.625   3.187
  303    HB2  LEU  43           HB2      LEU  43  -8.135   9.079   4.309
  304    HB3  LEU  43           HB3      LEU  43  -6.818   9.821   5.197
  305    HG   LEU  43           HG       LEU  43  -8.209  10.978   2.790
  306   HD11  LEU  43          HD11      LEU  43  -8.232  11.775   5.690
  307   HD12  LEU  43          HD12      LEU  43  -9.570  11.037   4.802
  308   HD13  LEU  43          HD13      LEU  43  -9.011  12.654   4.374
  309   HD21  LEU  43          HD21      LEU  43  -5.998  12.093   4.506
  310   HD22  LEU  43          HD22      LEU  43  -6.848  12.957   3.223
  311   HD23  LEU  43          HD23      LEU  43  -5.846  11.561   2.832
  312    H    ALA  44           H        ALA  44  -7.572   6.872   3.490
  313    HA   ALA  44           HA       ALA  44  -6.130   5.425   5.432
  314    HB1  ALA  44           HB1      ALA  44  -7.448   3.495   4.506
  315    HB2  ALA  44           HB2      ALA  44  -7.990   4.586   3.205
  316    HB3  ALA  44           HB3      ALA  44  -8.431   4.920   4.859
  317    H    LEU  45           H        LEU  45  -5.997   5.706   2.031
  318    HA   LEU  45           HA       LEU  45  -4.184   3.630   1.420
  319    HB2  LEU  45           HB2      LEU  45  -5.832   4.693  -0.051
  320    HB3  LEU  45           HB3      LEU  45  -4.929   6.160  -0.124
  321    HG   LEU  45           HG       LEU  45  -4.210   3.452  -1.286
  322   HD11  LEU  45          HD11      LEU  45  -4.496   4.601  -3.411
  323   HD12  LEU  45          HD12      LEU  45  -4.962   6.065  -2.546
  324   HD13  LEU  45          HD13      LEU  45  -5.964   4.616  -2.436
  325   HD21  LEU  45          HD21      LEU  45  -2.663   6.037  -1.526
  326   HD22  LEU  45          HD22      LEU  45  -2.311   4.527  -2.377
  327   HD23  LEU  45          HD23      LEU  45  -2.146   4.612  -0.621
  328    H    MET  46           H        MET  46  -3.742   7.140   1.997
  329    HA   MET  46           HA       MET  46  -0.933   7.229   1.655
  330    HB2  MET  46           HB2      MET  46  -2.710   8.984   3.367
  331    HB3  MET  46           HB3      MET  46  -1.019   9.310   3.040
  332    HG2  MET  46           HG2      MET  46  -1.496   9.579   0.698
  333    HG3  MET  46           HG3      MET  46  -3.180   9.136   0.969
  334    HE1  MET  46           HE1      MET  46  -4.181  11.234  -0.148
  335    HE2  MET  46           HE2      MET  46  -2.548  11.711  -0.618
  336    HE3  MET  46           HE3      MET  46  -3.622  12.882   0.146
  337    H    GLU  47           H        GLU  47  -2.990   6.641   4.420
  338    HA   GLU  47           HA       GLU  47  -1.041   6.575   6.417
  339    HB2  GLU  47           HB2      GLU  47  -3.555   6.634   6.637
  340    HB3  GLU  47           HB3      GLU  47  -3.554   4.914   6.289
  341    HG2  GLU  47           HG2      GLU  47  -2.096   4.570   8.257
  342    HG3  GLU  47           HG3      GLU  47  -2.280   6.281   8.638
  343    H    THR  48           H        THR  48  -2.193   4.181   4.155
  344    HA   THR  48           HA       THR  48  -0.912   1.856   5.073
  345    HB   THR  48           HB       THR  48  -1.516   2.752   2.237
  346    HG1  THR  48           HG1      THR  48  -3.376   2.606   3.680
  347   HG21  THR  48          HG21      THR  48   0.055   0.903   2.246
  348   HG22  THR  48          HG22      THR  48  -1.535   0.355   1.697
  349   HG23  THR  48          HG23      THR  48  -0.996  -0.008   3.334
  350    H    ALA  49           H        ALA  49   0.029   4.142   2.530
  351    HA   ALA  49           HA       ALA  49   2.577   3.176   1.998
  352    HB1  ALA  49           HB1      ALA  49   1.570   6.004   1.739
  353    HB2  ALA  49           HB2      ALA  49   1.365   4.725   0.543
  354    HB3  ALA  49           HB3      ALA  49   2.979   5.326   0.928
  355    H    ALA  50           H        ALA  50   1.547   5.735   4.222
  356    HA   ALA  50           HA       ALA  50   4.037   6.619   5.075
  357    HB1  ALA  50           HB1      ALA  50   1.487   6.552   6.679
  358    HB2  ALA  50           HB2      ALA  50   1.939   7.801   5.517
  359    HB3  ALA  50           HB3      ALA  50   2.889   7.578   6.982
  360    H    ARG  51           H        ARG  51   2.105   3.928   6.252
  361    HA   ARG  51           HA       ARG  51   3.630   3.334   8.549
  362    HB2  ARG  51           HB2      ARG  51   1.375   2.381   8.019
  363    HB3  ARG  51           HB3      ARG  51   2.126   1.397   6.774
  364    HG2  ARG  51           HG2      ARG  51   3.524   0.334   8.513
  365    HG3  ARG  51           HG3      ARG  51   2.647   1.255   9.734
  366    HD2  ARG  51           HD2      ARG  51   0.538   0.216   8.855
  367    HD3  ARG  51           HD3      ARG  51   1.550  -0.832   7.860
  368    HE   ARG  51           HE       ARG  51   2.105  -0.757  10.687
  369   HH11  ARG  51          HH11      ARG  51   0.509  -2.507   8.046
  370   HH12  ARG  51          HH12      ARG  51   0.314  -3.955   8.942
  371   HH21  ARG  51          HH21      ARG  51   1.799  -2.770  11.910
  372   HH22  ARG  51          HH22      ARG  51   1.026  -4.081  11.152
  373    H    LEU  52           H        LEU  52   3.761   2.139   5.229
  374    HA   LEU  52           HA       LEU  52   5.958   0.411   5.675
  375    HB2  LEU  52           HB2      LEU  52   5.085   1.520   2.987
  376    HB3  LEU  52           HB3      LEU  52   6.011   0.056   3.312
  377    HG   LEU  52           HG       LEU  52   3.127   0.452   4.043
  378   HD11  LEU  52          HD11      LEU  52   2.716  -1.217   2.326
  379   HD12  LEU  52          HD12      LEU  52   4.437  -1.247   1.952
  380   HD13  LEU  52          HD13      LEU  52   3.495   0.216   1.637
  381   HD21  LEU  52          HD21      LEU  52   3.210  -1.924   4.628
  382   HD22  LEU  52          HD22      LEU  52   4.304  -0.973   5.632
  383   HD23  LEU  52          HD23      LEU  52   4.943  -1.940   4.306
  384    H    GLU  53           H        GLU  53   5.675   3.769   4.775
  385    HA   GLU  53           HA       GLU  53   8.268   4.312   3.931
  386    HB2  GLU  53           HB2      GLU  53   6.406   5.982   5.555
  387    HB3  GLU  53           HB3      GLU  53   7.935   6.605   4.964
  388    HG2  GLU  53           HG2      GLU  53   7.083   6.149   2.649
  389    HG3  GLU  53           HG3      GLU  53   5.521   5.756   3.378
  390    H    SER  54           H        SER  54   6.998   4.620   7.258
  391    HA   SER  54           HA       SER  54   9.515   5.212   8.320
  392    HB2  SER  54           HB2      SER  54   8.370   4.737  10.535
  393    HB3  SER  54           HB3      SER  54   7.629   5.976   9.524
  394    HG   SER  54           HG       SER  54   5.902   4.848   9.713
  395    H    ARG  55           H        ARG  55   7.692   2.183   8.257
  396    HA   ARG  55           HA       ARG  55   9.595   0.740   9.750
  397    HB2  ARG  55           HB2      ARG  55   7.336  -0.072   9.664
  398    HB3  ARG  55           HB3      ARG  55   7.410  -0.251   7.916
  399    HG2  ARG  55           HG2      ARG  55   9.013  -2.046   8.126
  400    HG3  ARG  55           HG3      ARG  55   9.080  -1.819   9.872
  401    HD2  ARG  55           HD2      ARG  55   6.563  -2.560   8.383
  402    HD3  ARG  55           HD3      ARG  55   7.672  -3.749   9.061
  403    HE   ARG  55           HE       ARG  55   6.059  -1.806  10.559
  404   HH11  ARG  55          HH11      ARG  55   7.864  -4.879  10.402
  405   HH12  ARG  55          HH12      ARG  55   7.579  -5.306  12.020
  406   HH21  ARG  55          HH21      ARG  55   5.542  -2.474  12.794
  407   HH22  ARG  55          HH22      ARG  55   6.192  -3.931  13.400
  408    H    TYR  56           H        TYR  56   9.291   1.096   6.217
  409    HA   TYR  56           HA       TYR  56  11.550  -0.738   6.024
  410    HB2  TYR  56           HB2      TYR  56   9.593   0.097   3.897
  411    HB3  TYR  56           HB3      TYR  56  10.926  -1.026   3.632
  412    HD1  TYR  56           HD2      TYR  56  10.991  -3.115   5.146
  413    HD2  TYR  56           HD1      TYR  56   7.538  -0.690   4.669
  414    HE1  TYR  56           HE2      TYR  56   9.603  -4.982   5.887
  415    HE2  TYR  56           HE1      TYR  56   6.116  -2.558   5.395
  416    HH   TYR  56           HH       TYR  56   7.430  -5.470   6.755
  417    H    GLY  57           H        GLY  57  10.822   2.582   5.532
  418    HA2  GLY  57           HA2      GLY  57  12.522   4.186   5.369
  419    HA3  GLY  57           HA3      GLY  57  13.616   2.937   4.794
  420    H    VAL  58           H        VAL  58  10.525   4.335   3.789
  421    HA   VAL  58           HA       VAL  58  11.652   4.950   1.164
  422    HB   VAL  58           HB       VAL  58   9.667   4.223  -0.038
  423   HG11  VAL  58          HG11      VAL  58  11.329   2.514   0.268
  424   HG12  VAL  58          HG12      VAL  58   9.691   1.829   0.254
  425   HG13  VAL  58          HG13      VAL  58  10.545   2.054   1.785
  426   HG21  VAL  58          HG21      VAL  58   8.532   3.313   2.604
  427   HG22  VAL  58          HG22      VAL  58   7.805   3.030   1.020
  428   HG23  VAL  58          HG23      VAL  58   7.965   4.674   1.636
  429    H    SER  59           H        SER  59   9.971   6.455  -0.002
  430    HA   SER  59           HA       SER  59   8.269   7.758   1.910
  431    HB2  SER  59           HB2      SER  59  10.495   9.012   1.759
  432    HB3  SER  59           HB3      SER  59  10.029   9.417   0.105
  433    HG   SER  59           HG       SER  59   8.106   9.812   2.036
  434    H    ILE  60           H        ILE  60   6.367   7.921   1.118
  435    HA   ILE  60           HA       ILE  60   6.013   7.868  -1.798
  436    HB   ILE  60           HB       ILE  60   4.094   6.787   0.294
  437   HG12  ILE  60          HG12      ILE  60   6.052   5.326   0.107
  438   HG13  ILE  60          HG13      ILE  60   4.634   4.544  -0.577
  439   HG21  ILE  60          HG21      ILE  60   2.929   7.642  -1.658
  440   HG22  ILE  60          HG22      ILE  60   2.831   5.880  -1.614
  441   HG23  ILE  60          HG23      ILE  60   3.951   6.673  -2.720
  442   HD11  ILE  60          HD11      ILE  60   6.624   4.147  -1.928
  443   HD12  ILE  60          HD12      ILE  60   6.847   5.886  -2.128
  444   HD13  ILE  60          HD13      ILE  60   5.435   5.092  -2.827
  445    HA   PRO  61           HA       PRO  61   4.488  11.958  -0.738
  446    HB2  PRO  61           HB2      PRO  61   4.061  12.067  -3.662
  447    HB3  PRO  61           HB3      PRO  61   4.993  13.149  -2.619
  448    HG2  PRO  61           HG2      PRO  61   6.194  11.446  -4.289
  449    HG3  PRO  61           HG3      PRO  61   6.871  11.805  -2.686
  450    HD2  PRO  61           HD2      PRO  61   5.315   9.420  -3.600
  451    HD3  PRO  61           HD3      PRO  61   6.737   9.496  -2.540
  452    H    ASP  62           H        ASP  62   2.502  12.735  -0.426
  453    HA   ASP  62           HA       ASP  62   0.200  11.192  -0.556
  454    HB2  ASP  62           HB2      ASP  62  -1.050  13.219   0.044
  455    HB3  ASP  62           HB3      ASP  62   0.431  13.098   0.979
  456    H    ASP  63           H        ASP  63   1.509  13.336  -2.944
  457    HA   ASP  63           HA       ASP  63  -0.829  13.630  -4.550
  458    HB2  ASP  63           HB2      ASP  63   1.099  15.157  -4.656
  459    HB3  ASP  63           HB3      ASP  63   2.099  13.860  -5.284
  460    H    VAL  64           H        VAL  64   1.759  11.318  -4.393
  461    HA   VAL  64           HA       VAL  64   1.100   9.896  -6.817
  462    HB   VAL  64           HB       VAL  64   2.716   8.973  -4.429
  463   HG11  VAL  64          HG11      VAL  64   3.790   7.458  -6.035
  464   HG12  VAL  64          HG12      VAL  64   2.717   8.050  -7.302
  465   HG13  VAL  64          HG13      VAL  64   2.054   7.166  -5.927
  466   HG21  VAL  64          HG21      VAL  64   4.700   9.692  -5.681
  467   HG22  VAL  64          HG22      VAL  64   3.639  11.043  -5.283
  468   HG23  VAL  64          HG23      VAL  64   3.653  10.385  -6.919
  469    H    ALA  65           H        ALA  65   0.584   9.494  -3.380
  470    HA   ALA  65           HA       ALA  65  -0.706   7.031  -3.361
  471    HB1  ALA  65           HB1      ALA  65  -1.206   9.362  -1.517
  472    HB2  ALA  65           HB2      ALA  65   0.100   8.191  -1.356
  473    HB3  ALA  65           HB3      ALA  65  -1.579   7.669  -1.182
  474    H    GLY  66           H        GLY  66  -2.031  10.234  -3.999
  475    HA2  GLY  66           HA2      GLY  66  -4.737   9.182  -4.209
  476    HA3  GLY  66           HA3      GLY  66  -4.246  10.852  -4.453
  477    H    ARG  67           H        ARG  67  -2.166   8.990  -6.186
  478    HA   ARG  67           HA       ARG  67  -3.701   9.450  -8.646
  479    HB2  ARG  67           HB2      ARG  67  -1.581  10.680  -8.421
  480    HB3  ARG  67           HB3      ARG  67  -0.724   9.153  -8.266
  481    HG2  ARG  67           HG2      ARG  67  -1.405   8.547 -10.532
  482    HG3  ARG  67           HG3      ARG  67  -2.255  10.088 -10.684
  483    HD2  ARG  67           HD2      ARG  67  -0.115  10.280 -11.741
  484    HD3  ARG  67           HD3      ARG  67  -0.118  11.253 -10.276
  485    HE   ARG  67           HE       ARG  67   1.061   8.560 -10.357
  486   HH11  ARG  67          HH11      ARG  67   1.275  11.991  -9.526
  487   HH12  ARG  67          HH12      ARG  67   2.858  11.915  -8.916
  488   HH21  ARG  67          HH21      ARG  67   3.287   8.435  -9.538
  489   HH22  ARG  67          HH22      ARG  67   4.050   9.862  -8.985
  490    H    VAL  68           H        VAL  68  -2.006   7.020  -6.804
  491    HA   VAL  68           HA       VAL  68  -1.882   5.121  -8.930
  492    HB   VAL  68           HB       VAL  68  -1.233   3.468  -7.115
  493   HG11  VAL  68          HG11      VAL  68   0.285   6.074  -7.200
  494   HG12  VAL  68          HG12      VAL  68   0.446   4.734  -8.340
  495   HG13  VAL  68          HG13      VAL  68   0.921   4.522  -6.652
  496   HG21  VAL  68          HG21      VAL  68  -1.403   5.913  -5.352
  497   HG22  VAL  68          HG22      VAL  68  -0.690   4.370  -4.897
  498   HG23  VAL  68          HG23      VAL  68  -2.428   4.476  -5.218
  499    H    ASP  69           H        ASP  69  -3.243   3.633  -9.560
  500    HA   ASP  69           HA       ASP  69  -5.985   3.827  -8.592
  501    HB2  ASP  69           HB2      ASP  69  -4.869   2.223 -10.892
  502    HB3  ASP  69           HB3      ASP  69  -6.567   2.446 -10.525
  503    H    THR  70           H        THR  70  -3.447   1.375  -8.771
  504    HA   THR  70           HA       THR  70  -5.248  -0.486  -7.401
  505    HB   THR  70           HB       THR  70  -4.032  -2.285  -8.617
  506    HG1  THR  70           HG1      THR  70  -2.899  -1.287 -10.623
  507   HG21  THR  70          HG21      THR  70  -5.073  -1.929 -10.830
  508   HG22  THR  70          HG22      THR  70  -5.307  -0.226 -10.435
  509   HG23  THR  70          HG23      THR  70  -6.169  -1.466  -9.528
  510    HA   PRO  71           HA       PRO  71  -2.073  -0.906  -4.275
  511    HB2  PRO  71           HB2      PRO  71  -2.406  -3.860  -4.487
  512    HB3  PRO  71           HB3      PRO  71  -2.550  -2.798  -3.092
  513    HG2  PRO  71           HG2      PRO  71  -4.726  -3.809  -4.233
  514    HG3  PRO  71           HG3      PRO  71  -4.705  -2.157  -3.586
  515    HD2  PRO  71           HD2      PRO  71  -4.518  -3.087  -6.418
  516    HD3  PRO  71           HD3      PRO  71  -5.385  -1.692  -5.745
  517    H    ARG  72           H        ARG  72  -1.919  -2.823  -7.217
  518    HA   ARG  72           HA       ARG  72   0.655  -3.876  -7.108
  519    HB2  ARG  72           HB2      ARG  72  -1.072  -4.186  -8.959
  520    HB3  ARG  72           HB3      ARG  72  -0.516  -2.647  -9.601
  521    HG2  ARG  72           HG2      ARG  72   1.806  -3.654  -9.619
  522    HG3  ARG  72           HG3      ARG  72   1.028  -5.206  -9.315
  523    HD2  ARG  72           HD2      ARG  72   0.748  -3.408 -11.703
  524    HD3  ARG  72           HD3      ARG  72   1.359  -5.059 -11.646
  525    HE   ARG  72           HE       ARG  72  -1.442  -4.214 -11.450
  526   HH11  ARG  72          HH11      ARG  72   0.837  -6.925 -11.672
  527   HH12  ARG  72          HH12      ARG  72  -0.290  -7.985 -12.371
  528   HH21  ARG  72          HH21      ARG  72  -2.920  -5.584 -12.397
  529   HH22  ARG  72          HH22      ARG  72  -2.550  -7.204 -12.815
  530    H    GLU  73           H        GLU  73  -0.464  -0.717  -8.165
  531    HA   GLU  73           HA       GLU  73   1.946   0.395  -9.073
  532    HB2  GLU  73           HB2      GLU  73  -0.346   1.837  -7.739
  533    HB3  GLU  73           HB3      GLU  73   0.827   2.521  -8.847
  534    HG2  GLU  73           HG2      GLU  73  -1.218   0.435  -9.563
  535    HG3  GLU  73           HG3      GLU  73  -1.392   2.161  -9.837
  536    H    LEU  74           H        LEU  74   0.346   0.406  -5.940
  537    HA   LEU  74           HA       LEU  74   2.174   2.158  -4.659
  538    HB2  LEU  74           HB2      LEU  74  -0.222   1.711  -4.014
  539    HB3  LEU  74           HB3      LEU  74   0.275   0.159  -3.385
  540    HG   LEU  74           HG       LEU  74  -0.152   1.853  -1.633
  541   HD11  LEU  74          HD11      LEU  74   1.368   0.069  -1.078
  542   HD12  LEU  74          HD12      LEU  74   1.860   1.573  -0.299
  543   HD13  LEU  74          HD13      LEU  74   2.722   0.996  -1.725
  544   HD21  LEU  74          HD21      LEU  74   0.509   3.848  -2.821
  545   HD22  LEU  74          HD22      LEU  74   2.187   3.310  -2.837
  546   HD23  LEU  74          HD23      LEU  74   1.409   3.718  -1.308
  547    H    LEU  75           H        LEU  75   1.807  -1.369  -4.727
  548    HA   LEU  75           HA       LEU  75   3.941  -2.044  -3.038
  549    HB2  LEU  75           HB2      LEU  75   2.218  -3.628  -3.881
  550    HB3  LEU  75           HB3      LEU  75   2.982  -3.581  -5.456
  551    HG   LEU  75           HG       LEU  75   5.032  -4.546  -4.485
  552   HD11  LEU  75          HD11      LEU  75   4.969  -5.485  -2.226
  553   HD12  LEU  75          HD12      LEU  75   3.390  -4.737  -1.971
  554   HD13  LEU  75          HD13      LEU  75   4.814  -3.728  -2.222
  555   HD21  LEU  75          HD21      LEU  75   3.368  -6.018  -5.489
  556   HD22  LEU  75          HD22      LEU  75   2.528  -6.136  -3.943
  557   HD23  LEU  75          HD23      LEU  75   4.151  -6.802  -4.116
  558    H    ASP  76           H        ASP  76   3.804  -1.473  -6.496
  559    HA   ASP  76           HA       ASP  76   6.459  -2.002  -7.198
  560    HB2  ASP  76           HB2      ASP  76   4.722  -1.739  -8.874
  561    HB3  ASP  76           HB3      ASP  76   4.457  -0.073  -8.384
  562    H    LEU  77           H        LEU  77   4.891   0.971  -6.149
  563    HA   LEU  77           HA       LEU  77   7.013   2.762  -6.375
  564    HB2  LEU  77           HB2      LEU  77   4.856   2.654  -4.274
  565    HB3  LEU  77           HB3      LEU  77   5.878   4.040  -4.542
  566    HG   LEU  77           HG       LEU  77   3.903   2.922  -6.514
  567   HD11  LEU  77          HD11      LEU  77   2.835   3.902  -4.570
  568   HD12  LEU  77          HD12      LEU  77   2.617   4.929  -5.986
  569   HD13  LEU  77          HD13      LEU  77   3.807   5.360  -4.756
  570   HD21  LEU  77          HD21      LEU  77   4.335   4.987  -7.753
  571   HD22  LEU  77          HD22      LEU  77   5.798   4.014  -7.599
  572   HD23  LEU  77          HD23      LEU  77   5.573   5.435  -6.578
  573    H    ILE  78           H        ILE  78   6.040   0.772  -3.634
  574    HA   ILE  78           HA       ILE  78   8.104   1.479  -1.850
  575    HB   ILE  78           HB       ILE  78   6.659  -1.185  -2.024
  576   HG12  ILE  78          HG12      ILE  78   5.045   0.671  -1.857
  577   HG13  ILE  78          HG13      ILE  78   5.069  -0.282  -0.383
  578   HG21  ILE  78          HG21      ILE  78   8.083   0.153   0.270
  579   HG22  ILE  78          HG22      ILE  78   8.627  -1.269  -0.616
  580   HG23  ILE  78          HG23      ILE  78   7.170  -1.352   0.376
  581   HD11  ILE  78          HD11      ILE  78   6.433   1.440   0.694
  582   HD12  ILE  78          HD12      ILE  78   4.905   2.089   0.098
  583   HD13  ILE  78          HD13      ILE  78   6.399   2.389  -0.791
  584    H    ASN  79           H        ASN  79   7.753  -1.412  -3.896
  585    HA   ASN  79           HA       ASN  79  10.197  -2.639  -3.409
  586    HB2  ASN  79           HB2      ASN  79   8.261  -2.778  -5.677
  587    HB3  ASN  79           HB3      ASN  79   9.843  -3.508  -5.893
  588   HD21  ASN  79          HD21      ASN  79   6.894  -3.628  -4.045
  589   HD22  ASN  79          HD22      ASN  79   7.118  -5.249  -3.457
  590    H    GLY  80           H        GLY  80   9.463  -0.260  -5.931
  591    HA2  GLY  80           HA2      GLY  80  12.024  -0.302  -7.103
  592    HA3  GLY  80           HA3      GLY  80  10.847   0.997  -7.245
  593    H    ALA  81           H        ALA  81  10.638   1.661  -4.517
  594    HA   ALA  81           HA       ALA  81  12.809   3.475  -4.334
  595    HB1  ALA  81           HB1      ALA  81  10.538   4.035  -3.572
  596    HB2  ALA  81           HB2      ALA  81  11.742   4.260  -2.301
  597    HB3  ALA  81           HB3      ALA  81  10.697   2.845  -2.280
  598    H    LEU  82           H        LEU  82  11.859   0.631  -2.451
  599    HA   LEU  82           HA       LEU  82  13.918   0.748  -0.559
  600    HB2  LEU  82           HB2      LEU  82  12.236  -1.500  -1.581
  601    HB3  LEU  82           HB3      LEU  82  13.494  -1.784  -0.396
  602    HG   LEU  82           HG       LEU  82  11.178   0.112   0.001
  603   HD11  LEU  82          HD11      LEU  82  10.423  -2.218  -0.107
  604   HD12  LEU  82          HD12      LEU  82  10.319  -1.586   1.539
  605   HD13  LEU  82          HD13      LEU  82  11.638  -2.666   1.092
  606   HD21  LEU  82          HD21      LEU  82  11.929   0.101   2.320
  607   HD22  LEU  82          HD22      LEU  82  13.180   0.710   1.237
  608   HD23  LEU  82          HD23      LEU  82  13.288  -0.931   1.877
  609    H    ALA  83           H        ALA  83  13.782  -0.954  -3.644
  610    HA   ALA  83           HA       ALA  83  16.342  -2.137  -3.477
  611    HB1  ALA  83           HB1      ALA  83  14.599  -2.904  -5.022
  612    HB2  ALA  83           HB2      ALA  83  16.118  -2.539  -5.853
  613    HB3  ALA  83           HB3      ALA  83  14.776  -1.398  -5.930
  614    H    GLU  84           H        GLU  84  15.468   1.076  -3.864
  615    HA   GLU  84           HA       GLU  84  18.044   1.779  -5.095
  616    HB2  GLU  84           HB2      GLU  84  15.982   2.282  -6.432
  617    HB3  GLU  84           HB3      GLU  84  15.420   3.298  -5.120
  618    HG2  GLU  84           HG2      GLU  84  17.320   4.766  -5.449
  619    HG3  GLU  84           HG3      GLU  84  17.895   3.749  -6.769
  620    H    ALA  85           H        ALA  85  16.974   1.314  -2.218
  621    HA   ALA  85           HA       ALA  85  17.561   3.971  -1.134
  622    HB1  ALA  85           HB1      ALA  85  16.392   3.256   0.879
  623    HB2  ALA  85           HB2      ALA  85  16.114   1.667   0.165
  624    HB3  ALA  85           HB3      ALA  85  15.353   3.093  -0.539
  625    H    ALA  86           H        ALA  86  18.779   4.023   0.825
  626    HA   ALA  86           HA       ALA  86  20.446   1.722   1.361
  627    HB1  ALA  86           HB1      ALA  86  22.470   3.135   1.316
  628    HB2  ALA  86           HB2      ALA  86  21.503   4.486   0.719
  629    HB3  ALA  86           HB3      ALA  86  21.706   3.042  -0.272
  630    H28  SXA  87          H28A      SXA  87  -9.090  13.049   0.921
  631   H28A  SXA  87          H28B      SXA  87  -7.463  12.386   1.040
  632    H30  SXA  87          H30A      SXA  87  -5.701  15.374  -0.099
  633   H30A  SXA  87          H30B      SXA  87  -6.211  14.034  -1.136
  634   H30B  SXA  87          H30C      SXA  87  -5.534  13.712   0.462
  635    H31  SXA  87          H31A      SXA  87  -9.417  15.417   0.096
  636   H31A  SXA  87          H31B      SXA  87  -8.472  15.054  -1.350
  637   H31B  SXA  87          H31C      SXA  87  -8.007  16.398  -0.307
  638    H32  SXA  87          H32A      SXA  87  -6.838  14.306   2.579
  639   HO33  SXA  87          H33A      SXA  87  -8.933  15.922   2.671
  640   HN36  SXA  87          H36A      SXA  87  -5.078  15.835   1.832
  641    H37  SXA  87          H37A      SXA  87  -5.271  18.492   1.182
  642   H37A  SXA  87          H37B      SXA  87  -5.438  18.465   2.938
  643    H38  SXA  87          H38A      SXA  87  -3.097  17.334   1.367
  644   H38A  SXA  87          H38B      SXA  87  -3.140  18.913   2.101
  645   HN41  SXA  87          H41A      SXA  87  -4.795  16.880   4.115
  646    H42  SXA  87          H42A      SXA  87  -3.328  15.202   5.481
  647   H42A  SXA  87          H42B      SXA  87  -2.653  16.733   6.077
  648    H43  SXA  87          H43A      SXA  87  -5.579  15.976   6.105
  649   H43A  SXA  87          H43B      SXA  87  -4.830  17.321   7.008
  650    H2   SXA  87           H2C      SXA  87  -3.217  12.535   8.130
  651    H2A  SXA  87           H2A      SXA  87  -4.452  11.605   7.277
  652    H2B  SXA  87           H2B      SXA  87  -4.861  12.445   8.778
  Start of MODEL   17
    1    H1   MET   1           H1       MET   1  16.700  -8.111  -6.644
    2    H2   MET   1           H2       MET   1  16.319  -6.533  -6.112
    3    H3   MET   1           H3       MET   1  15.539  -7.852  -5.429
    4    HA   MET   1           HA       MET   1  17.504  -8.639  -4.422
    5    HB2  MET   1           HB2      MET   1  19.515  -7.279  -4.383
    6    HB3  MET   1           HB3      MET   1  19.110  -7.592  -6.062
    7    HG2  MET   1           HG2      MET   1  18.138  -5.364  -6.246
    8    HG3  MET   1           HG3      MET   1  18.518  -5.059  -4.553
    9    HE1  MET   1           HE1      MET   1  19.317  -3.100  -6.826
   10    HE2  MET   1           HE2      MET   1  20.980  -2.714  -6.387
   11    HE3  MET   1           HE3      MET   1  19.747  -2.856  -5.133
   12    H    ALA   2           H        ALA   2  18.183  -7.622  -2.319
   13    HA   ALA   2           HA       ALA   2  17.610  -6.684  -0.376
   14    HB1  ALA   2           HB1      ALA   2  16.225  -4.530  -2.013
   15    HB2  ALA   2           HB2      ALA   2  17.908  -4.484  -1.491
   16    HB3  ALA   2           HB3      ALA   2  16.615  -4.432  -0.295
   17    H    THR   3           H        THR   3  15.530  -6.021   0.961
   18    HA   THR   3           HA       THR   3  13.626  -8.093   0.378
   19    HB   THR   3           HB       THR   3  13.531  -5.934   2.513
   20    HG1  THR   3           HG1      THR   3  15.411  -7.085   2.744
   21   HG21  THR   3          HG21      THR   3  12.113  -7.546   3.707
   22   HG22  THR   3          HG22      THR   3  12.239  -8.671   2.353
   23   HG23  THR   3          HG23      THR   3  11.407  -7.127   2.145
   24    H    LEU   4           H        LEU   4  12.309  -7.644  -1.272
   25    HA   LEU   4           HA       LEU   4  11.174  -4.961  -1.471
   26    HB2  LEU   4           HB2      LEU   4  11.136  -7.233  -3.470
   27    HB3  LEU   4           HB3      LEU   4  10.419  -5.655  -3.725
   28    HG   LEU   4           HG       LEU   4  13.357  -6.293  -3.480
   29   HD11  LEU   4          HD11      LEU   4  12.396  -6.875  -5.623
   30   HD12  LEU   4          HD12      LEU   4  13.464  -5.481  -5.775
   31   HD13  LEU   4          HD13      LEU   4  11.714  -5.255  -5.776
   32   HD21  LEU   4          HD21      LEU   4  12.883  -4.155  -2.399
   33   HD22  LEU   4          HD22      LEU   4  12.021  -3.611  -3.838
   34   HD23  LEU   4          HD23      LEU   4  13.757  -3.915  -3.912
   35    H    LEU   5           H        LEU   5   8.878  -4.797  -1.681
   36    HA   LEU   5           HA       LEU   5   7.727  -6.644   0.183
   37    HB2  LEU   5           HB2      LEU   5   6.418  -4.288  -1.137
   38    HB3  LEU   5           HB3      LEU   5   5.748  -5.238   0.170
   39    HG   LEU   5           HG       LEU   5   7.962  -3.252   0.218
   40   HD11  LEU   5          HD11      LEU   5   5.730  -2.477   0.641
   41   HD12  LEU   5          HD12      LEU   5   6.693  -2.397   2.117
   42   HD13  LEU   5          HD13      LEU   5   5.515  -3.691   1.902
   43   HD21  LEU   5          HD21      LEU   5   8.897  -5.229   1.301
   44   HD22  LEU   5          HD22      LEU   5   7.466  -5.356   2.326
   45   HD23  LEU   5          HD23      LEU   5   8.547  -3.973   2.490
   46    H    THR   6           H        THR   6   6.092  -7.964  -0.073
   47    HA   THR   6           HA       THR   6   5.413  -8.638  -2.835
   48    HB   THR   6           HB       THR   6   4.864 -10.885  -1.910
   49    HG1  THR   6           HG1      THR   6   5.847  -9.716   0.532
   50   HG21  THR   6          HG21      THR   6   7.094 -10.482  -2.858
   51   HG22  THR   6          HG22      THR   6   7.187 -11.609  -1.504
   52   HG23  THR   6          HG23      THR   6   7.667  -9.925  -1.286
   53    H    THR   7           H        THR   7   3.143  -9.982  -2.693
   54    HA   THR   7           HA       THR   7   1.028  -8.315  -2.158
   55    HB   THR   7           HB       THR   7   1.092 -11.349  -2.069
   56    HG1  THR   7           HG1      THR   7   1.073 -11.287  -4.188
   57   HG21  THR   7          HG21      THR   7  -1.057 -10.435  -1.221
   58   HG22  THR   7          HG22      THR   7  -1.279 -11.223  -2.770
   59   HG23  THR   7          HG23      THR   7  -1.216  -9.465  -2.683
   60    H    ASP   8           H        ASP   8   2.564 -10.715  -0.025
   61    HA   ASP   8           HA       ASP   8   0.824 -10.649   2.157
   62    HB2  ASP   8           HB2      ASP   8   3.801 -11.124   2.032
   63    HB3  ASP   8           HB3      ASP   8   2.911 -11.198   3.542
   64    H    ASP   9           H        ASP   9   3.704  -8.714   1.554
   65    HA   ASP   9           HA       ASP   9   3.686  -7.245   3.975
   66    HB2  ASP   9           HB2      ASP   9   4.779  -6.425   1.283
   67    HB3  ASP   9           HB3      ASP   9   5.160  -5.642   2.805
   68    H    LEU  10           H        LEU  10   2.516  -6.534   0.762
   69    HA   LEU  10           HA       LEU  10   1.578  -3.942   1.201
   70    HB2  LEU  10           HB2      LEU  10   1.955  -5.067  -0.984
   71    HB3  LEU  10           HB3      LEU  10   0.524  -6.028  -0.700
   72    HG   LEU  10           HG       LEU  10  -0.839  -3.962  -0.734
   73   HD11  LEU  10          HD11      LEU  10   0.879  -2.368  -0.044
   74   HD12  LEU  10          HD12      LEU  10   0.164  -1.896  -1.585
   75   HD13  LEU  10          HD13      LEU  10   1.756  -2.649  -1.549
   76   HD21  LEU  10          HD21      LEU  10  -0.570  -5.325  -2.727
   77   HD22  LEU  10          HD22      LEU  10   0.895  -4.439  -3.151
   78   HD23  LEU  10          HD23      LEU  10  -0.665  -3.616  -3.148
   79    H    ARG  11           H        ARG  11  -0.141  -7.055   1.228
   80    HA   ARG  11           HA       ARG  11  -2.675  -6.173   1.884
   81    HB2  ARG  11           HB2      ARG  11  -2.135  -8.451   1.158
   82    HB3  ARG  11           HB3      ARG  11  -1.378  -8.758   2.715
   83    HG2  ARG  11           HG2      ARG  11  -3.488  -8.496   3.842
   84    HG3  ARG  11           HG3      ARG  11  -4.272  -8.053   2.325
   85    HD2  ARG  11           HD2      ARG  11  -4.735 -10.344   2.810
   86    HD3  ARG  11           HD3      ARG  11  -3.661 -10.250   1.408
   87    HE   ARG  11           HE       ARG  11  -2.880 -10.971   4.136
   88   HH11  ARG  11          HH11      ARG  11  -2.235 -11.072   0.646
   89   HH12  ARG  11          HH12      ARG  11  -1.158 -12.390   0.723
   90   HH21  ARG  11          HH21      ARG  11  -1.442 -12.918   4.208
   91   HH22  ARG  11          HH22      ARG  11  -0.777 -13.490   2.775
   92    H    ARG  12           H        ARG  12  -0.061  -7.146   4.055
   93    HA   ARG  12           HA       ARG  12  -1.417  -6.927   6.471
   94    HB2  ARG  12           HB2      ARG  12   1.492  -6.476   5.830
   95    HB3  ARG  12           HB3      ARG  12   0.857  -6.534   7.471
   96    HG2  ARG  12           HG2      ARG  12   0.138  -8.802   7.166
   97    HG3  ARG  12           HG3      ARG  12   0.593  -8.751   5.464
   98    HD2  ARG  12           HD2      ARG  12   2.927  -8.467   6.089
   99    HD3  ARG  12           HD3      ARG  12   2.480  -8.465   7.796
  100    HE   ARG  12           HE       ARG  12   1.439 -10.763   6.940
  101   HH11  ARG  12          HH11      ARG  12   4.734  -9.426   6.544
  102   HH12  ARG  12          HH12      ARG  12   5.482 -10.950   6.568
  103   HH21  ARG  12          HH21      ARG  12   2.476 -12.813   6.836
  104   HH22  ARG  12          HH22      ARG  12   4.174 -12.949   6.736
  105    H    ALA  13           H        ALA  13   0.219  -4.449   4.600
  106    HA   ALA  13           HA       ALA  13  -0.144  -2.385   6.514
  107    HB1  ALA  13           HB1      ALA  13   1.570  -2.265   4.770
  108    HB2  ALA  13           HB2      ALA  13   0.487  -0.874   4.704
  109    HB3  ALA  13           HB3      ALA  13   0.307  -2.186   3.541
  110    H    LEU  14           H        LEU  14  -1.928  -3.398   3.619
  111    HA   LEU  14           HA       LEU  14  -3.795  -1.309   3.783
  112    HB2  LEU  14           HB2      LEU  14  -3.740  -3.836   2.201
  113    HB3  LEU  14           HB3      LEU  14  -5.252  -2.967   2.334
  114    HG   LEU  14           HG       LEU  14  -4.093  -0.950   1.405
  115   HD11  LEU  14          HD11      LEU  14  -2.043  -1.237   0.159
  116   HD12  LEU  14          HD12      LEU  14  -1.878  -2.872   0.803
  117   HD13  LEU  14          HD13      LEU  14  -1.811  -1.481   1.887
  118   HD21  LEU  14          HD21      LEU  14  -5.513  -2.312   0.020
  119   HD22  LEU  14          HD22      LEU  14  -4.172  -3.405  -0.324
  120   HD23  LEU  14          HD23      LEU  14  -4.126  -1.740  -0.909
  121    H    VAL  15           H        VAL  15  -3.968  -4.589   5.067
  122    HA   VAL  15           HA       VAL  15  -6.646  -4.418   5.938
  123    HB   VAL  15           HB       VAL  15  -4.383  -5.970   7.267
  124   HG11  VAL  15          HG11      VAL  15  -6.164  -7.398   8.161
  125   HG12  VAL  15          HG12      VAL  15  -7.372  -6.327   7.452
  126   HG13  VAL  15          HG13      VAL  15  -6.311  -5.737   8.732
  127   HG21  VAL  15          HG21      VAL  15  -5.199  -7.889   5.987
  128   HG22  VAL  15          HG22      VAL  15  -4.663  -6.588   4.922
  129   HG23  VAL  15          HG23      VAL  15  -6.386  -6.858   5.190
  130    H    GLU  16           H        GLU  16  -3.644  -3.574   7.566
  131    HA   GLU  16           HA       GLU  16  -4.701  -2.723  10.024
  132    HB2  GLU  16           HB2      GLU  16  -2.171  -2.124   8.543
  133    HB3  GLU  16           HB3      GLU  16  -2.521  -1.387  10.099
  134    HG2  GLU  16           HG2      GLU  16  -2.548  -4.354   9.679
  135    HG3  GLU  16           HG3      GLU  16  -1.090  -3.458  10.110
  136    H    SER  17           H        SER  17  -3.992  -0.892   7.053
  137    HA   SER  17           HA       SER  17  -4.731   1.565   8.305
  138    HB2  SER  17           HB2      SER  17  -2.976   1.402   6.518
  139    HB3  SER  17           HB3      SER  17  -4.246   1.034   5.359
  140    HG   SER  17           HG       SER  17  -4.590   3.340   6.882
  141    H    ALA  18           H        ALA  18  -6.377  -0.883   6.447
  142    HA   ALA  18           HA       ALA  18  -8.703   0.655   5.902
  143    HB1  ALA  18           HB1      ALA  18  -8.415  -2.346   6.236
  144    HB2  ALA  18           HB2      ALA  18  -8.247  -1.463   4.719
  145    HB3  ALA  18           HB3      ALA  18  -9.809  -1.521   5.535
  146    H    GLY  19           H        GLY  19  -7.657  -1.460   8.535
  147    HA2  GLY  19           HA2      GLY  19  -8.293  -0.161  10.654
  148    HA3  GLY  19           HA3      GLY  19  -9.921  -0.492  10.094
  149    H    GLU  20           H        GLU  20 -10.710  -1.859  11.405
  150    HA   GLU  20           HA       GLU  20  -9.093  -4.109  12.336
  151    HB2  GLU  20           HB2      GLU  20 -10.903  -4.366  14.048
  152    HB3  GLU  20           HB3      GLU  20 -10.050  -2.831  14.143
  153    HG2  GLU  20           HG2      GLU  20 -11.885  -1.720  12.994
  154    HG3  GLU  20           HG3      GLU  20 -12.726  -3.256  12.823
  155    H    THR  21           H        THR  21 -11.213  -3.322  10.085
  156    HA   THR  21           HA       THR  21 -11.928  -6.077   9.491
  157    HB   THR  21           HB       THR  21 -14.063  -3.958   9.897
  158    HG1  THR  21           HG1      THR  21 -12.973  -5.888  11.504
  159   HG21  THR  21          HG21      THR  21 -14.291  -6.866   9.093
  160   HG22  THR  21          HG22      THR  21 -14.585  -5.479   8.045
  161   HG23  THR  21          HG23      THR  21 -15.645  -5.785   9.423
  162    H    ASP  22           H        ASP  22 -11.083  -6.078   7.468
  163    HA   ASP  22           HA       ASP  22 -11.504  -3.864   5.656
  164    HB2  ASP  22           HB2      ASP  22 -10.320  -5.177   3.978
  165    HB3  ASP  22           HB3      ASP  22  -9.440  -5.332   5.487
  166    H    GLY  23           H        GLY  23 -13.097  -3.744   4.115
  167    HA2  GLY  23           HA2      GLY  23 -15.161  -5.829   4.378
  168    HA3  GLY  23           HA3      GLY  23 -15.495  -4.127   4.070
  169    H    THR  24           H        THR  24 -13.408  -6.623   2.667
  170    HA   THR  24           HA       THR  24 -14.703  -6.516   0.162
  171    HB   THR  24           HB       THR  24 -13.439  -4.355   0.105
  172    HG1  THR  24           HG1      THR  24 -13.369  -4.803  -1.897
  173   HG21  THR  24          HG21      THR  24 -11.595  -4.930   1.599
  174   HG22  THR  24          HG22      THR  24 -10.966  -4.369   0.049
  175   HG23  THR  24          HG23      THR  24 -10.982  -6.093   0.423
  176    H    ASP  25           H        ASP  25 -12.488  -7.486  -1.308
  177    HA   ASP  25           HA       ASP  25 -11.639  -9.772   0.322
  178    HB2  ASP  25           HB2      ASP  25 -13.075 -10.418  -1.636
  179    HB3  ASP  25           HB3      ASP  25 -11.859  -9.715  -2.705
  180    H    LEU  26           H        LEU  26  -9.884  -8.909   1.140
  181    HA   LEU  26           HA       LEU  26  -7.994  -7.534  -0.626
  182    HB2  LEU  26           HB2      LEU  26  -9.013  -6.388   1.356
  183    HB3  LEU  26           HB3      LEU  26  -8.207  -7.552   2.379
  184    HG   LEU  26           HG       LEU  26  -6.022  -6.681   1.591
  185   HD11  LEU  26          HD11      LEU  26  -5.976  -4.582   0.344
  186   HD12  LEU  26          HD12      LEU  26  -7.733  -4.631   0.188
  187   HD13  LEU  26          HD13      LEU  26  -6.743  -5.864  -0.593
  188   HD21  LEU  26          HD21      LEU  26  -7.065  -5.848   3.637
  189   HD22  LEU  26          HD22      LEU  26  -7.901  -4.605   2.702
  190   HD23  LEU  26          HD23      LEU  26  -6.142  -4.590   2.821
  191    H    SER  27           H        SER  27  -8.485 -10.512   0.709
  192    HA   SER  27           HA       SER  27  -5.637 -10.941   1.061
  193    HB2  SER  27           HB2      SER  27  -6.378 -13.071   2.195
  194    HB3  SER  27           HB3      SER  27  -6.641 -11.561   3.064
  195    HG   SER  27           HG       SER  27  -8.792 -11.582   2.457
  196    H    GLY  28           H        GLY  28  -4.794 -13.092   0.380
  197    HA2  GLY  28           HA2      GLY  28  -4.588 -14.720  -1.235
  198    HA3  GLY  28           HA3      GLY  28  -6.138 -14.217  -1.914
  199    H    ASP  29           H        ASP  29  -6.234 -12.454  -3.275
  200    HA   ASP  29           HA       ASP  29  -3.776 -11.167  -4.087
  201    HB2  ASP  29           HB2      ASP  29  -3.811 -13.034  -5.605
  202    HB3  ASP  29           HB3      ASP  29  -5.516 -12.791  -5.948
  203    H    PHE  30           H        PHE  30  -4.118  -9.167  -4.845
  204    HA   PHE  30           HA       PHE  30  -6.794  -8.128  -5.312
  205    HB2  PHE  30           HB2      PHE  30  -6.773  -6.570  -3.414
  206    HB3  PHE  30           HB3      PHE  30  -6.718  -8.234  -2.849
  207    HD1  PHE  30           HD2      PHE  30  -4.483  -9.168  -2.091
  208    HD2  PHE  30           HD1      PHE  30  -5.109  -5.028  -2.813
  209    HE1  PHE  30           HE2      PHE  30  -2.483  -8.637  -0.777
  210    HE2  PHE  30           HE1      PHE  30  -3.105  -4.497  -1.500
  211    HZ   PHE  30           HZ       PHE  30  -1.793  -6.302  -0.482
  212    H    LEU  31           H        LEU  31  -3.766  -8.206  -6.198
  213    HA   LEU  31           HA       LEU  31  -2.612  -5.695  -5.979
  214    HB2  LEU  31           HB2      LEU  31  -2.266  -7.718  -8.169
  215    HB3  LEU  31           HB3      LEU  31  -1.210  -6.351  -7.883
  216    HG   LEU  31           HG       LEU  31  -1.635  -8.693  -6.039
  217   HD11  LEU  31          HD11      LEU  31   0.691  -9.201  -6.575
  218   HD12  LEU  31          HD12      LEU  31   0.711  -7.859  -7.718
  219   HD13  LEU  31          HD13      LEU  31  -0.344  -9.242  -8.001
  220   HD21  LEU  31          HD21      LEU  31   0.163  -7.731  -4.689
  221   HD22  LEU  31          HD22      LEU  31  -1.225  -6.645  -4.767
  222   HD23  LEU  31          HD23      LEU  31   0.208  -6.318  -5.744
  223    H    ASP  32           H        ASP  32  -4.654  -6.945  -8.580
  224    HA   ASP  32           HA       ASP  32  -4.488  -4.347  -9.918
  225    HB2  ASP  32           HB2      ASP  32  -5.624  -6.975 -10.879
  226    HB3  ASP  32           HB3      ASP  32  -5.687  -5.484 -11.800
  227    H    LEU  33           H        LEU  33  -6.235  -5.159  -7.478
  228    HA   LEU  33           HA       LEU  33  -8.871  -4.589  -8.530
  229    HB2  LEU  33           HB2      LEU  33  -7.903  -4.785  -5.682
  230    HB3  LEU  33           HB3      LEU  33  -9.571  -4.578  -6.164
  231    HG   LEU  33           HG       LEU  33  -7.846  -6.992  -6.676
  232   HD11  LEU  33          HD11      LEU  33 -10.247  -6.539  -4.927
  233   HD12  LEU  33          HD12      LEU  33  -8.581  -6.752  -4.386
  234   HD13  LEU  33          HD13      LEU  33  -9.429  -8.080  -5.179
  235   HD21  LEU  33          HD21      LEU  33 -10.729  -6.478  -7.408
  236   HD22  LEU  33          HD22      LEU  33  -9.879  -8.013  -7.579
  237   HD23  LEU  33          HD23      LEU  33  -9.384  -6.618  -8.541
  238    H    ARG  34           H        ARG  34  -9.991  -2.688  -8.162
  239    HA   ARG  34           HA       ARG  34  -8.296  -0.345  -8.013
  240    HB2  ARG  34           HB2      ARG  34 -11.286  -0.652  -8.281
  241    HB3  ARG  34           HB3      ARG  34 -10.472   0.903  -8.213
  242    HG2  ARG  34           HG2      ARG  34  -9.273   0.376 -10.262
  243    HG3  ARG  34           HG3      ARG  34 -10.050  -1.210 -10.314
  244    HD2  ARG  34           HD2      ARG  34 -11.542   1.411 -10.335
  245    HD3  ARG  34           HD3      ARG  34 -11.116   0.504 -11.786
  246    HE   ARG  34           HE       ARG  34 -12.450  -1.357 -10.763
  247   HH11  ARG  34          HH11      ARG  34 -13.213   2.021  -9.924
  248   HH12  ARG  34          HH12      ARG  34 -14.867   1.737  -9.744
  249   HH21  ARG  34          HH21      ARG  34 -14.763  -1.733 -10.478
  250   HH22  ARG  34          HH22      ARG  34 -15.749  -0.443  -9.978
  251    H    PHE  35           H        PHE  35  -8.085   1.020  -6.313
  252    HA   PHE  35           HA       PHE  35  -8.607   0.202  -3.736
  253    HB2  PHE  35           HB2      PHE  35  -8.177   2.995  -4.789
  254    HB3  PHE  35           HB3      PHE  35  -8.371   2.660  -3.073
  255    HD1  PHE  35           HD2      PHE  35  -6.772   0.860  -2.089
  256    HD2  PHE  35           HD1      PHE  35  -6.059   2.944  -5.711
  257    HE1  PHE  35           HE2      PHE  35  -4.377   0.355  -1.892
  258    HE2  PHE  35           HE1      PHE  35  -3.659   2.445  -5.526
  259    HZ   PHE  35           HZ       PHE  35  -2.813   1.151  -3.616
  260    H    GLU  36           H        GLU  36 -10.654   2.091  -5.811
  261    HA   GLU  36           HA       GLU  36 -12.773   2.864  -4.219
  262    HB2  GLU  36           HB2      GLU  36 -12.987   1.587  -6.938
  263    HB3  GLU  36           HB3      GLU  36 -14.180   2.628  -6.183
  264    HG2  GLU  36           HG2      GLU  36 -12.688   4.497  -6.316
  265    HG3  GLU  36           HG3      GLU  36 -11.399   3.460  -6.936
  266    H    ASP  37           H        ASP  37 -12.059  -0.308  -5.511
  267    HA   ASP  37           HA       ASP  37 -14.593  -1.445  -4.693
  268    HB2  ASP  37           HB2      ASP  37 -13.759  -2.017  -6.872
  269    HB3  ASP  37           HB3      ASP  37 -12.229  -2.549  -6.199
  270    H    ILE  38           H        ILE  38 -11.388  -1.225  -3.467
  271    HA   ILE  38           HA       ILE  38 -11.978  -3.383  -1.591
  272    HB   ILE  38           HB       ILE  38  -9.614  -3.355  -0.896
  273   HG12  ILE  38          HG12      ILE  38  -9.270  -1.306  -3.106
  274   HG13  ILE  38          HG13      ILE  38  -9.116  -1.013  -1.376
  275   HG21  ILE  38          HG21      ILE  38 -10.322  -4.892  -2.614
  276   HG22  ILE  38          HG22      ILE  38  -8.687  -4.324  -2.957
  277   HG23  ILE  38          HG23      ILE  38 -10.056  -3.672  -3.858
  278   HD11  ILE  38          HD11      ILE  38  -7.355  -2.825  -3.005
  279   HD12  ILE  38          HD12      ILE  38  -7.187  -2.477  -1.283
  280   HD13  ILE  38          HD13      ILE  38  -6.950  -1.195  -2.471
  281    H    GLY  39           H        GLY  39 -12.968  -0.581  -1.562
  282    HA2  GLY  39           HA2      GLY  39 -13.706   0.840   0.090
  283    HA3  GLY  39           HA3      GLY  39 -13.091  -0.320   1.258
  284    H    TYR  40           H        TYR  40 -11.201   1.322  -1.185
  285    HA   TYR  40           HA       TYR  40  -9.775   2.623   0.999
  286    HB2  TYR  40           HB2      TYR  40  -8.824   0.942  -1.157
  287    HB3  TYR  40           HB3      TYR  40  -8.082   2.524  -1.171
  288    HD1  TYR  40           HD1      TYR  40  -9.002  -0.028   1.393
  289    HD2  TYR  40           HD2      TYR  40  -6.147   2.721  -0.104
  290    HE1  TYR  40           HE1      TYR  40  -7.430  -0.694   3.171
  291    HE2  TYR  40           HE2      TYR  40  -4.582   2.081   1.651
  292    HH   TYR  40           HH       TYR  40  -4.388   1.021   3.598
  293    H    ASP  41           H        ASP  41  -9.596   4.674   0.928
  294    HA   ASP  41           HA       ASP  41 -10.023   6.073  -1.610
  295    HB2  ASP  41           HB2      ASP  41 -10.347   7.070   1.202
  296    HB3  ASP  41           HB3      ASP  41 -10.372   8.078  -0.199
  297    H    SER  42           H        SER  42  -8.886   8.154  -1.388
  298    HA   SER  42           HA       SER  42  -6.177   7.970  -1.582
  299    HB2  SER  42           HB2      SER  42  -6.294  10.450  -1.241
  300    HB3  SER  42           HB3      SER  42  -7.444   9.804  -2.432
  301    H    LEU  43           H        LEU  43  -8.102   8.744   1.243
  302    HA   LEU  43           HA       LEU  43  -6.064   9.756   2.889
  303    HB2  LEU  43           HB2      LEU  43  -8.676   8.494   3.696
  304    HB3  LEU  43           HB3      LEU  43  -7.686   9.549   4.688
  305    HG   LEU  43           HG       LEU  43  -9.047  10.368   2.119
  306   HD11  LEU  43          HD11      LEU  43  -9.757  10.976   4.973
  307   HD12  LEU  43          HD12      LEU  43 -10.658   9.940   3.867
  308   HD13  LEU  43          HD13      LEU  43 -10.529  11.669   3.546
  309   HD21  LEU  43          HD21      LEU  43  -8.417  12.641   2.777
  310   HD22  LEU  43          HD22      LEU  43  -6.996  11.622   2.538
  311   HD23  LEU  43          HD23      LEU  43  -7.548  11.996   4.170
  312    H    ALA  44           H        ALA  44  -7.730   6.583   3.185
  313    HA   ALA  44           HA       ALA  44  -5.839   5.527   4.996
  314    HB1  ALA  44           HB1      ALA  44  -7.632   4.018   3.087
  315    HB2  ALA  44           HB2      ALA  44  -8.083   4.559   4.703
  316    HB3  ALA  44           HB3      ALA  44  -6.823   3.341   4.501
  317    H    LEU  45           H        LEU  45  -5.969   5.690   1.555
  318    HA   LEU  45           HA       LEU  45  -4.025   3.778   0.893
  319    HB2  LEU  45           HB2      LEU  45  -5.782   5.092  -0.430
  320    HB3  LEU  45           HB3      LEU  45  -4.593   6.323  -0.653
  321    HG   LEU  45           HG       LEU  45  -4.725   3.520  -1.708
  322   HD11  LEU  45          HD11      LEU  45  -5.894   5.170  -2.944
  323   HD12  LEU  45          HD12      LEU  45  -4.494   4.609  -3.857
  324   HD13  LEU  45          HD13      LEU  45  -4.448   6.179  -3.048
  325   HD21  LEU  45          HD21      LEU  45  -2.417   3.785  -0.965
  326   HD22  LEU  45          HD22      LEU  45  -2.281   5.293  -1.880
  327   HD23  LEU  45          HD23      LEU  45  -2.521   3.757  -2.723
  328    H    MET  46           H        MET  46  -3.802   7.298   1.478
  329    HA   MET  46           HA       MET  46  -0.986   7.499   1.142
  330    HB2  MET  46           HB2      MET  46  -2.872   9.286   2.702
  331    HB3  MET  46           HB3      MET  46  -1.195   9.672   2.362
  332    HG2  MET  46           HG2      MET  46  -1.667   9.712  -0.012
  333    HG3  MET  46           HG3      MET  46  -3.339   9.238   0.318
  334    HE1  MET  46           HE1      MET  46  -3.896  10.992   2.964
  335    HE2  MET  46           HE2      MET  46  -5.062  10.810   1.653
  336    HE3  MET  46           HE3      MET  46  -4.645  12.420   2.245
  337    H    GLU  47           H        GLU  47  -3.064   6.901   3.889
  338    HA   GLU  47           HA       GLU  47  -1.131   7.065   5.916
  339    HB2  GLU  47           HB2      GLU  47  -3.662   6.993   6.117
  340    HB3  GLU  47           HB3      GLU  47  -3.533   5.266   5.881
  341    HG2  GLU  47           HG2      GLU  47  -3.694   5.705   8.225
  342    HG3  GLU  47           HG3      GLU  47  -2.091   5.081   7.846
  343    H    THR  48           H        THR  48  -2.217   4.434   3.882
  344    HA   THR  48           HA       THR  48  -0.793   2.280   4.931
  345    HB   THR  48           HB       THR  48  -1.538   2.955   2.082
  346    HG1  THR  48           HG1      THR  48  -3.222   2.761   3.712
  347   HG21  THR  48          HG21      THR  48   0.194   1.243   2.107
  348   HG22  THR  48          HG22      THR  48  -1.349   0.529   1.641
  349   HG23  THR  48          HG23      THR  48  -0.722   0.290   3.277
  350    H    ALA  49           H        ALA  49   0.053   4.496   2.275
  351    HA   ALA  49           HA       ALA  49   2.613   3.564   1.758
  352    HB1  ALA  49           HB1      ALA  49   1.576   6.384   1.487
  353    HB2  ALA  49           HB2      ALA  49   1.400   5.100   0.291
  354    HB3  ALA  49           HB3      ALA  49   3.002   5.724   0.687
  355    H    ALA  50           H        ALA  50   1.563   6.181   3.916
  356    HA   ALA  50           HA       ALA  50   4.051   6.983   4.867
  357    HB1  ALA  50           HB1      ALA  50   2.863   7.996   6.728
  358    HB2  ALA  50           HB2      ALA  50   1.437   7.019   6.369
  359    HB3  ALA  50           HB3      ALA  50   1.976   8.246   5.224
  360    H    ARG  51           H        ARG  51   1.953   4.399   6.034
  361    HA   ARG  51           HA       ARG  51   3.518   3.735   8.290
  362    HB2  ARG  51           HB2      ARG  51   1.308   2.796   8.209
  363    HB3  ARG  51           HB3      ARG  51   1.615   2.037   6.649
  364    HG2  ARG  51           HG2      ARG  51   3.309   0.593   7.721
  365    HG3  ARG  51           HG3      ARG  51   2.900   1.313   9.274
  366    HD2  ARG  51           HD2      ARG  51   0.796   0.025   7.584
  367    HD3  ARG  51           HD3      ARG  51   1.869  -0.960   8.568
  368    HE   ARG  51           HE       ARG  51   0.055   1.107   9.657
  369   HH11  ARG  51          HH11      ARG  51   1.892  -1.926   9.971
  370   HH12  ARG  51          HH12      ARG  51   1.016  -2.492  11.317
  371   HH21  ARG  51          HH21      ARG  51  -1.196   0.253  11.602
  372   HH22  ARG  51          HH22      ARG  51  -0.767  -1.271  12.199
  373    H    LEU  52           H        LEU  52   3.522   2.488   4.969
  374    HA   LEU  52           HA       LEU  52   5.616   0.639   5.453
  375    HB2  LEU  52           HB2      LEU  52   4.665   1.767   2.818
  376    HB3  LEU  52           HB3      LEU  52   5.773   0.417   3.002
  377    HG   LEU  52           HG       LEU  52   2.897   0.455   3.899
  378   HD11  LEU  52          HD11      LEU  52   4.274  -1.044   1.686
  379   HD12  LEU  52          HD12      LEU  52   3.151   0.306   1.477
  380   HD13  LEU  52          HD13      LEU  52   2.586  -1.224   2.156
  381   HD21  LEU  52          HD21      LEU  52   4.291  -0.872   5.402
  382   HD22  LEU  52          HD22      LEU  52   4.967  -1.740   4.023
  383   HD23  LEU  52          HD23      LEU  52   3.257  -1.914   4.423
  384    H    GLU  53           H        GLU  53   5.633   3.995   4.551
  385    HA   GLU  53           HA       GLU  53   8.295   4.299   3.788
  386    HB2  GLU  53           HB2      GLU  53   6.651   6.107   5.506
  387    HB3  GLU  53           HB3      GLU  53   8.168   6.575   4.767
  388    HG2  GLU  53           HG2      GLU  53   7.098   6.246   2.546
  389    HG3  GLU  53           HG3      GLU  53   5.567   5.952   3.385
  390    H    SER  54           H        SER  54   6.940   4.803   7.021
  391    HA   SER  54           HA       SER  54   9.410   4.896   8.319
  392    HB2  SER  54           HB2      SER  54   6.684   4.268   9.445
  393    HB3  SER  54           HB3      SER  54   8.084   4.856  10.352
  394    HG   SER  54           HG       SER  54   7.941   6.572   8.519
  395    H    ARG  55           H        ARG  55   7.264   2.230   7.595
  396    HA   ARG  55           HA       ARG  55   8.357   0.305   9.336
  397    HB2  ARG  55           HB2      ARG  55   6.190   0.341   7.835
  398    HB3  ARG  55           HB3      ARG  55   7.235  -0.408   6.651
  399    HG2  ARG  55           HG2      ARG  55   6.408  -1.519   9.338
  400    HG3  ARG  55           HG3      ARG  55   5.952  -2.089   7.750
  401    HD2  ARG  55           HD2      ARG  55   8.383  -2.626   7.366
  402    HD3  ARG  55           HD3      ARG  55   8.643  -2.286   9.078
  403    HE   ARG  55           HE       ARG  55   6.518  -4.084   8.818
  404   HH11  ARG  55          HH11      ARG  55  10.067  -4.027   8.674
  405   HH12  ARG  55          HH12      ARG  55  10.217  -5.714   8.703
  406   HH21  ARG  55          HH21      ARG  55   6.759  -6.402   8.884
  407   HH22  ARG  55          HH22      ARG  55   8.290  -7.101   8.791
  408    H    TYR  56           H        TYR  56   9.005   0.925   5.844
  409    HA   TYR  56           HA       TYR  56  11.228  -0.958   6.092
  410    HB2  TYR  56           HB2      TYR  56   9.605  -0.206   3.680
  411    HB3  TYR  56           HB3      TYR  56  11.039  -1.222   3.608
  412    HD1  TYR  56           HD2      TYR  56  11.046  -3.378   4.955
  413    HD2  TYR  56           HD1      TYR  56   7.505  -1.126   4.257
  414    HE1  TYR  56           HE2      TYR  56   9.696  -5.350   5.513
  415    HE2  TYR  56           HE1      TYR  56   6.137  -3.081   4.829
  416    HH   TYR  56           HH       TYR  56   6.632  -5.775   4.731
  417    H    GLY  57           H        GLY  57  10.879   2.312   5.968
  418    HA2  GLY  57           HA2      GLY  57  12.646   3.847   5.945
  419    HA3  GLY  57           HA3      GLY  57  13.700   2.587   5.312
  420    H    VAL  58           H        VAL  58  10.639   3.825   4.114
  421    HA   VAL  58           HA       VAL  58  12.004   4.653   1.656
  422    HB   VAL  58           HB       VAL  58  10.230   3.899   0.237
  423   HG11  VAL  58          HG11      VAL  58  11.785   2.171   0.825
  424   HG12  VAL  58          HG12      VAL  58  10.150   1.502   0.610
  425   HG13  VAL  58          HG13      VAL  58  10.789   1.779   2.233
  426   HG21  VAL  58          HG21      VAL  58   8.676   3.080   2.696
  427   HG22  VAL  58          HG22      VAL  58   8.193   2.776   1.025
  428   HG23  VAL  58          HG23      VAL  58   8.301   4.430   1.626
  429    H    SER  59           H        SER  59  10.363   6.120   0.330
  430    HA   SER  59           HA       SER  59   8.668   7.588   2.126
  431    HB2  SER  59           HB2      SER  59  10.837   8.803   2.117
  432    HB3  SER  59           HB3      SER  59  10.736   8.935   0.362
  433    HG   SER  59           HG       SER  59   8.537   9.813   1.828
  434    H    ILE  60           H        ILE  60   6.835   8.045   1.212
  435    HA   ILE  60           HA       ILE  60   6.533   7.953  -1.704
  436    HB   ILE  60           HB       ILE  60   4.582   6.710   0.281
  437   HG12  ILE  60          HG12      ILE  60   6.573   5.267   0.012
  438   HG13  ILE  60          HG13      ILE  60   5.126   4.522  -0.656
  439   HG21  ILE  60          HG21      ILE  60   3.367   5.915  -1.705
  440   HG22  ILE  60          HG22      ILE  60   4.501   6.790  -2.735
  441   HG23  ILE  60          HG23      ILE  60   3.453   7.676  -1.627
  442   HD11  ILE  60          HD11      ILE  60   7.066   4.145  -2.087
  443   HD12  ILE  60          HD12      ILE  60   7.322   5.885  -2.217
  444   HD13  ILE  60          HD13      ILE  60   5.876   5.154  -2.915
  445    HA   PRO  61           HA       PRO  61   4.829  11.902  -0.317
  446    HB2  PRO  61           HB2      PRO  61   4.290  12.105  -3.228
  447    HB3  PRO  61           HB3      PRO  61   5.129  13.236  -2.158
  448    HG2  PRO  61           HG2      PRO  61   6.495  11.762  -3.895
  449    HG3  PRO  61           HG3      PRO  61   7.130  12.061  -2.266
  450    HD2  PRO  61           HD2      PRO  61   5.782   9.622  -3.359
  451    HD3  PRO  61           HD3      PRO  61   7.196   9.742  -2.288
  452    H    ASP  62           H        ASP  62   2.802  12.541   0.095
  453    HA   ASP  62           HA       ASP  62   0.558  10.888   0.044
  454    HB2  ASP  62           HB2      ASP  62   0.583  13.925   0.096
  455    HB3  ASP  62           HB3      ASP  62  -0.833  12.946   0.423
  456    H    ASP  63           H        ASP  63   1.667  13.137  -2.337
  457    HA   ASP  63           HA       ASP  63  -0.674  13.359  -3.922
  458    HB2  ASP  63           HB2      ASP  63   2.201  13.637  -4.812
  459    HB3  ASP  63           HB3      ASP  63   0.781  14.323  -5.586
  460    H    VAL  64           H        VAL  64   2.110  11.260  -3.938
  461    HA   VAL  64           HA       VAL  64   1.476   9.883  -6.423
  462    HB   VAL  64           HB       VAL  64   3.393   9.147  -4.194
  463   HG11  VAL  64          HG11      VAL  64   2.883   7.286  -5.685
  464   HG12  VAL  64          HG12      VAL  64   4.542   7.829  -5.929
  465   HG13  VAL  64          HG13      VAL  64   3.287   8.277  -7.084
  466   HG21  VAL  64          HG21      VAL  64   3.938  11.342  -5.057
  467   HG22  VAL  64          HG22      VAL  64   3.910  10.725  -6.709
  468   HG23  VAL  64          HG23      VAL  64   5.149  10.171  -5.580
  469    H    ALA  65           H        ALA  65   1.285   9.208  -2.986
  470    HA   ALA  65           HA       ALA  65   0.219   6.649  -3.166
  471    HB1  ALA  65           HB1      ALA  65  -0.600   7.015  -0.881
  472    HB2  ALA  65           HB2      ALA  65  -0.250   8.743  -1.049
  473    HB3  ALA  65           HB3      ALA  65   1.061   7.567  -1.085
  474    H    GLY  66           H        GLY  66  -1.450   9.804  -3.201
  475    HA2  GLY  66           HA2      GLY  66  -4.043   8.541  -3.295
  476    HA3  GLY  66           HA3      GLY  66  -3.708  10.260  -3.420
  477    H    ARG  67           H        ARG  67  -1.721   8.800  -5.564
  478    HA   ARG  67           HA       ARG  67  -3.453   9.571  -7.783
  479    HB2  ARG  67           HB2      ARG  67  -1.285  10.600  -7.758
  480    HB3  ARG  67           HB3      ARG  67  -0.495   9.039  -7.612
  481    HG2  ARG  67           HG2      ARG  67  -1.353   8.437  -9.833
  482    HG3  ARG  67           HG3      ARG  67  -2.038  10.060  -9.969
  483    HD2  ARG  67           HD2      ARG  67   0.140  11.047  -9.840
  484    HD3  ARG  67           HD3      ARG  67   0.878   9.481  -9.511
  485    HE   ARG  67           HE       ARG  67  -0.586   9.777 -12.002
  486   HH11  ARG  67          HH11      ARG  67   2.570   9.777 -10.389
  487   HH12  ARG  67          HH12      ARG  67   3.450   9.341 -11.781
  488   HH21  ARG  67          HH21      ARG  67   0.633   9.271 -13.929
  489   HH22  ARG  67          HH22      ARG  67   2.321   9.098 -13.889
  490    H    VAL  68           H        VAL  68  -1.851   6.786  -6.442
  491    HA   VAL  68           HA       VAL  68  -2.071   5.266  -8.841
  492    HB   VAL  68           HB       VAL  68  -1.347   3.307  -7.317
  493   HG11  VAL  68          HG11      VAL  68   0.964   4.149  -7.246
  494   HG12  VAL  68          HG12      VAL  68   0.373   5.790  -7.516
  495   HG13  VAL  68          HG13      VAL  68   0.183   4.564  -8.771
  496   HG21  VAL  68          HG21      VAL  68  -0.882   5.618  -5.445
  497   HG22  VAL  68          HG22      VAL  68  -0.369   3.951  -5.173
  498   HG23  VAL  68          HG23      VAL  68  -2.094   4.358  -5.192
  499    H    ASP  69           H        ASP  69  -3.353   3.529  -9.314
  500    HA   ASP  69           HA       ASP  69  -6.035   3.906  -8.223
  501    HB2  ASP  69           HB2      ASP  69  -5.093   2.721 -10.834
  502    HB3  ASP  69           HB3      ASP  69  -6.775   2.777 -10.319
  503    H    THR  70           H        THR  70  -3.611   1.449  -8.799
  504    HA   THR  70           HA       THR  70  -5.326  -0.402  -7.318
  505    HB   THR  70           HB       THR  70  -4.135  -2.231  -8.588
  506    HG1  THR  70           HG1      THR  70  -2.968  -1.704 -10.366
  507   HG21  THR  70          HG21      THR  70  -6.400  -1.530  -9.221
  508   HG22  THR  70          HG22      THR  70  -5.456  -1.967 -10.646
  509   HG23  THR  70          HG23      THR  70  -5.724  -0.269 -10.252
  510    HA   PRO  71           HA       PRO  71  -2.184  -0.722  -4.211
  511    HB2  PRO  71           HB2      PRO  71  -2.585  -3.666  -4.314
  512    HB3  PRO  71           HB3      PRO  71  -2.709  -2.559  -2.947
  513    HG2  PRO  71           HG2      PRO  71  -4.894  -3.571  -4.074
  514    HG3  PRO  71           HG3      PRO  71  -4.850  -1.897  -3.487
  515    HD2  PRO  71           HD2      PRO  71  -4.686  -2.926  -6.282
  516    HD3  PRO  71           HD3      PRO  71  -5.495  -1.477  -5.651
  517    H    ARG  72           H        ARG  72  -2.082  -2.926  -6.925
  518    HA   ARG  72           HA       ARG  72   0.463  -3.968  -6.798
  519    HB2  ARG  72           HB2      ARG  72  -1.229  -4.590  -8.450
  520    HB3  ARG  72           HB3      ARG  72  -1.045  -3.033  -9.234
  521    HG2  ARG  72           HG2      ARG  72   1.246  -3.603  -9.818
  522    HG3  ARG  72           HG3      ARG  72   1.042  -5.176  -9.036
  523    HD2  ARG  72           HD2      ARG  72  -0.722  -5.755 -10.552
  524    HD3  ARG  72           HD3      ARG  72  -0.678  -4.149 -11.273
  525    HE   ARG  72           HE       ARG  72   1.843  -5.152 -11.547
  526   HH11  ARG  72          HH11      ARG  72  -1.442  -6.086 -12.615
  527   HH12  ARG  72          HH12      ARG  72  -0.897  -6.850 -14.032
  528   HH21  ARG  72          HH21      ARG  72   2.561  -6.226 -13.522
  529   HH22  ARG  72          HH22      ARG  72   1.426  -6.938 -14.562
  530    H    GLU  73           H        GLU  73  -0.586  -0.836  -8.140
  531    HA   GLU  73           HA       GLU  73   1.922   0.010  -9.107
  532    HB2  GLU  73           HB2      GLU  73  -0.403   1.684  -8.175
  533    HB3  GLU  73           HB3      GLU  73   0.919   2.228  -9.193
  534    HG2  GLU  73           HG2      GLU  73   0.208   0.650 -10.926
  535    HG3  GLU  73           HG3      GLU  73  -1.146   0.168  -9.902
  536    H    LEU  74           H        LEU  74   0.269   0.419  -6.056
  537    HA   LEU  74           HA       LEU  74   2.132   2.230  -4.894
  538    HB2  LEU  74           HB2      LEU  74  -0.278   1.857  -4.183
  539    HB3  LEU  74           HB3      LEU  74   0.209   0.329  -3.500
  540    HG   LEU  74           HG       LEU  74  -0.186   2.130  -1.833
  541   HD11  LEU  74          HD11      LEU  74   1.230   0.298  -1.187
  542   HD12  LEU  74          HD12      LEU  74   1.805   1.805  -0.470
  543   HD13  LEU  74          HD13      LEU  74   2.641   1.117  -1.863
  544   HD21  LEU  74          HD21      LEU  74   1.464   3.925  -1.565
  545   HD22  LEU  74          HD22      LEU  74   0.592   4.039  -3.094
  546   HD23  LEU  74          HD23      LEU  74   2.242   3.419  -3.065
  547    H    LEU  75           H        LEU  75   1.731  -1.255  -4.862
  548    HA   LEU  75           HA       LEU  75   3.804  -1.996  -3.151
  549    HB2  LEU  75           HB2      LEU  75   2.066  -3.514  -4.059
  550    HB3  LEU  75           HB3      LEU  75   2.835  -3.426  -5.628
  551    HG   LEU  75           HG       LEU  75   4.847  -4.500  -4.680
  552   HD11  LEU  75          HD11      LEU  75   4.588  -3.754  -2.385
  553   HD12  LEU  75          HD12      LEU  75   4.721  -5.512  -2.465
  554   HD13  LEU  75          HD13      LEU  75   3.146  -4.756  -2.214
  555   HD21  LEU  75          HD21      LEU  75   3.872  -6.730  -4.439
  556   HD22  LEU  75          HD22      LEU  75   3.122  -5.847  -5.771
  557   HD23  LEU  75          HD23      LEU  75   2.274  -6.011  -4.235
  558    H    ASP  76           H        ASP  76   3.788  -1.485  -6.648
  559    HA   ASP  76           HA       ASP  76   6.479  -1.985  -7.230
  560    HB2  ASP  76           HB2      ASP  76   4.847  -1.771  -9.008
  561    HB3  ASP  76           HB3      ASP  76   4.526  -0.101  -8.558
  562    H    LEU  77           H        LEU  77   4.867   0.971  -6.256
  563    HA   LEU  77           HA       LEU  77   6.997   2.768  -6.456
  564    HB2  LEU  77           HB2      LEU  77   4.734   2.733  -4.466
  565    HB3  LEU  77           HB3      LEU  77   5.812   4.087  -4.724
  566    HG   LEU  77           HG       LEU  77   3.941   2.962  -6.801
  567   HD11  LEU  77          HD11      LEU  77   3.714   5.420  -5.073
  568   HD12  LEU  77          HD12      LEU  77   2.738   3.957  -4.935
  569   HD13  LEU  77          HD13      LEU  77   2.615   4.964  -6.376
  570   HD21  LEU  77          HD21      LEU  77   5.921   4.054  -7.736
  571   HD22  LEU  77          HD22      LEU  77   5.609   5.477  -6.746
  572   HD23  LEU  77          HD23      LEU  77   4.474   5.019  -8.017
  573    H    ILE  78           H        ILE  78   5.970   0.727  -3.760
  574    HA   ILE  78           HA       ILE  78   7.989   1.592  -1.969
  575    HB   ILE  78           HB       ILE  78   6.655  -1.134  -1.960
  576   HG12  ILE  78          HG12      ILE  78   4.948   0.666  -1.948
  577   HG13  ILE  78          HG13      ILE  78   4.993  -0.200  -0.420
  578   HG21  ILE  78          HG21      ILE  78   8.621  -0.974  -0.534
  579   HG22  ILE  78          HG22      ILE  78   7.163  -1.073   0.454
  580   HG23  ILE  78          HG23      ILE  78   7.973   0.475   0.234
  581   HD11  ILE  78          HD11      ILE  78   6.213   2.500  -0.967
  582   HD12  ILE  78          HD12      ILE  78   6.248   1.642   0.577
  583   HD13  ILE  78          HD13      ILE  78   4.713   2.191  -0.093
  584    H    ASN  79           H        ASN  79   7.735  -1.219  -4.142
  585    HA   ASN  79           HA       ASN  79  10.190  -2.449  -3.533
  586    HB2  ASN  79           HB2      ASN  79   8.613  -2.452  -6.111
  587    HB3  ASN  79           HB3      ASN  79  10.162  -3.261  -6.002
  588   HD21  ASN  79          HD21      ASN  79   7.629  -3.191  -3.488
  589   HD22  ASN  79          HD22      ASN  79   7.320  -4.899  -3.587
  590    H    GLY  80           H        GLY  80   9.471  -0.006  -5.991
  591    HA2  GLY  80           HA2      GLY  80  12.064   0.256  -6.998
  592    HA3  GLY  80           HA3      GLY  80  10.803   1.481  -7.063
  593    H    ALA  81           H        ALA  81  10.422   1.936  -4.363
  594    HA   ALA  81           HA       ALA  81  12.443   3.852  -3.881
  595    HB1  ALA  81           HB1      ALA  81  10.114   4.135  -3.184
  596    HB2  ALA  81           HB2      ALA  81  11.232   4.330  -1.829
  597    HB3  ALA  81           HB3      ALA  81  10.313   2.836  -2.009
  598    H    LEU  82           H        LEU  82  11.898   0.635  -2.651
  599    HA   LEU  82           HA       LEU  82  13.797   0.667  -0.543
  600    HB2  LEU  82           HB2      LEU  82  12.626  -1.562  -2.203
  601    HB3  LEU  82           HB3      LEU  82  13.723  -1.849  -0.866
  602    HG   LEU  82           HG       LEU  82  11.141  -0.343  -0.486
  603   HD11  LEU  82          HD11      LEU  82  10.608  -2.536  -1.438
  604   HD12  LEU  82          HD12      LEU  82  10.150  -2.443   0.261
  605   HD13  LEU  82          HD13      LEU  82  11.612  -3.312  -0.214
  606   HD21  LEU  82          HD21      LEU  82  11.455  -1.065   1.825
  607   HD22  LEU  82          HD22      LEU  82  12.838  -0.134   1.251
  608   HD23  LEU  82          HD23      LEU  82  12.945  -1.892   1.365
  609    H    ALA  83           H        ALA  83  13.959  -0.362  -3.911
  610    HA   ALA  83           HA       ALA  83  16.671  -1.112  -3.887
  611    HB1  ALA  83           HB1      ALA  83  15.088  -1.840  -5.607
  612    HB2  ALA  83           HB2      ALA  83  16.512  -1.077  -6.314
  613    HB3  ALA  83           HB3      ALA  83  14.993  -0.187  -6.210
  614    H    GLU  84           H        GLU  84  15.104   1.975  -4.233
  615    HA   GLU  84           HA       GLU  84  17.418   3.385  -5.207
  616    HB2  GLU  84           HB2      GLU  84  14.892   4.472  -3.946
  617    HB3  GLU  84           HB3      GLU  84  16.106   5.423  -4.777
  618    HG2  GLU  84           HG2      GLU  84  14.361   3.307  -6.009
  619    HG3  GLU  84           HG3      GLU  84  14.140   5.048  -6.152
  620    H    ALA  85           H        ALA  85  16.718   2.095  -2.222
  621    HA   ALA  85           HA       ALA  85  17.861   4.300  -0.699
  622    HB1  ALA  85           HB1      ALA  85  16.647   1.709   0.262
  623    HB2  ALA  85           HB2      ALA  85  15.816   3.260   0.166
  624    HB3  ALA  85           HB3      ALA  85  17.168   3.052   1.280
  625    H    ALA  86           H        ALA  86  19.545   3.860   0.837
  626    HA   ALA  86           HA       ALA  86  21.352   1.715  -0.005
  627    HB1  ALA  86           HB1      ALA  86  22.227   3.930  -0.617
  628    HB2  ALA  86           HB2      ALA  86  23.204   3.204   0.659
  629    HB3  ALA  86           HB3      ALA  86  22.041   4.469   1.053
  630    H28  SXA  87          H28A      SXA  87  -9.194  13.564  -0.185
  631   H28A  SXA  87          H28B      SXA  87  -7.620  12.764  -0.259
  632    H30  SXA  87          H30A      SXA  87  -5.956  13.479  -2.070
  633   H30A  SXA  87          H30B      SXA  87  -6.437  14.755  -3.209
  634   H30B  SXA  87          H30C      SXA  87  -7.284  13.224  -3.193
  635    H31  SXA  87          H31A      SXA  87  -8.487  16.129  -2.712
  636   H31A  SXA  87          H31B      SXA  87  -9.633  15.579  -1.489
  637   H31B  SXA  87          H31C      SXA  87  -9.387  14.631  -2.955
  638    H32  SXA  87          H32A      SXA  87  -6.304  14.882   0.075
  639   HO33  SXA  87          H33A      SXA  87  -8.196  16.742   0.369
  640   HN36  SXA  87          H36A      SXA  87  -5.550  15.768  -2.357
  641    H37  SXA  87          H37A      SXA  87  -5.631  18.692  -2.490
  642   H37A  SXA  87          H37B      SXA  87  -4.090  17.827  -2.465
  643    H38  SXA  87          H38A      SXA  87  -4.799  16.495  -4.378
  644   H38A  SXA  87          H38B      SXA  87  -6.270  17.465  -4.510
  645   HN41  SXA  87          H41A      SXA  87  -4.968  17.193  -6.578
  646    H42  SXA  87          H42A      SXA  87  -4.302  19.672  -7.642
  647   H42A  SXA  87          H42B      SXA  87  -2.782  18.890  -7.203
  648    H43  SXA  87          H43A      SXA  87  -3.298  18.393  -9.529
  649   H43A  SXA  87          H43B      SXA  87  -4.879  17.757  -9.050
  650    H2   SXA  87           H2C      SXA  87  -1.158  15.760  -6.366
  651    H2A  SXA  87           H2A      SXA  87   0.312  16.286  -7.194
  652    H2B  SXA  87           H2B      SXA  87  -0.629  14.930  -7.834
  Start of MODEL   18
    1    H1   MET   1           H1       MET   1  21.011  -5.729  -2.937
    2    H2   MET   1           H2       MET   1  21.373  -7.279  -3.472
    3    H3   MET   1           H3       MET   1  20.790  -7.029  -1.898
    4    HA   MET   1           HA       MET   1  19.284  -6.480  -4.376
    5    HB2  MET   1           HB2      MET   1  17.925  -8.459  -3.778
    6    HB3  MET   1           HB3      MET   1  19.594  -8.890  -4.104
    7    HG2  MET   1           HG2      MET   1  19.998  -8.964  -1.657
    8    HG3  MET   1           HG3      MET   1  18.285  -8.657  -1.402
    9    HE1  MET   1           HE1      MET   1  16.662 -11.891  -2.953
   10    HE2  MET   1           HE2      MET   1  16.976 -10.362  -3.772
   11    HE3  MET   1           HE3      MET   1  16.357 -10.365  -2.120
   12    H    ALA   2           H        ALA   2  17.191  -5.685  -4.057
   13    HA   ALA   2           HA       ALA   2  16.802  -4.415  -1.479
   14    HB1  ALA   2           HB1      ALA   2  14.966  -3.235  -2.605
   15    HB2  ALA   2           HB2      ALA   2  15.213  -4.220  -4.049
   16    HB3  ALA   2           HB3      ALA   2  16.466  -3.093  -3.523
   17    H    THR   3           H        THR   3  14.961  -4.776  -0.202
   18    HA   THR   3           HA       THR   3  13.923  -7.467  -0.291
   19    HB   THR   3           HB       THR   3  13.013  -5.108   1.393
   20    HG1  THR   3           HG1      THR   3  15.414  -6.286   1.407
   21   HG21  THR   3          HG21      THR   3  12.859  -8.098   1.866
   22   HG22  THR   3          HG22      THR   3  11.510  -7.050   1.435
   23   HG23  THR   3          HG23      THR   3  12.318  -6.849   2.988
   24    H    LEU   4           H        LEU   4  12.483  -7.795  -1.970
   25    HA   LEU   4           HA       LEU   4  10.689  -5.644  -2.650
   26    HB2  LEU   4           HB2      LEU   4  10.887  -8.405  -3.852
   27    HB3  LEU   4           HB3      LEU   4   9.940  -7.075  -4.484
   28    HG   LEU   4           HG       LEU   4  12.951  -7.221  -4.359
   29   HD11  LEU   4          HD11      LEU   4  11.044  -7.242  -6.675
   30   HD12  LEU   4          HD12      LEU   4  11.992  -8.609  -6.082
   31   HD13  LEU   4          HD13      LEU   4  12.805  -7.213  -6.795
   32   HD21  LEU   4          HD21      LEU   4  12.199  -4.931  -3.980
   33   HD22  LEU   4          HD22      LEU   4  11.179  -5.015  -5.413
   34   HD23  LEU   4          HD23      LEU   4  12.934  -5.091  -5.576
   35    H    LEU   5           H        LEU   5   8.840  -5.417  -1.720
   36    HA   LEU   5           HA       LEU   5   7.849  -7.349   0.102
   37    HB2  LEU   5           HB2      LEU   5   6.494  -4.865  -0.922
   38    HB3  LEU   5           HB3      LEU   5   5.959  -5.830   0.436
   39    HG   LEU   5           HG       LEU   5   8.405  -4.098   0.254
   40   HD11  LEU   5          HD11      LEU   5   7.397  -2.985   2.167
   41   HD12  LEU   5          HD12      LEU   5   6.025  -4.090   2.090
   42   HD13  LEU   5          HD13      LEU   5   6.327  -2.965   0.764
   43   HD21  LEU   5          HD21      LEU   5   8.973  -4.849   2.517
   44   HD22  LEU   5          HD22      LEU   5   9.046  -6.175   1.355
   45   HD23  LEU   5          HD23      LEU   5   7.668  -6.038   2.449
   46    H    THR   6           H        THR   6   5.960  -8.474   0.046
   47    HA   THR   6           HA       THR   6   5.164  -9.251  -2.648
   48    HB   THR   6           HB       THR   6   4.307 -11.306  -1.525
   49    HG1  THR   6           HG1      THR   6   5.485 -10.093   0.820
   50   HG21  THR   6          HG21      THR   6   6.515 -12.300  -1.052
   51   HG22  THR   6          HG22      THR   6   7.222 -10.683  -0.993
   52   HG23  THR   6          HG23      THR   6   6.552 -11.299  -2.505
   53    H    THR   7           H        THR   7   2.785 -10.315  -2.408
   54    HA   THR   7           HA       THR   7   0.940  -8.302  -2.108
   55    HB   THR   7           HB       THR   7   0.567 -11.298  -1.896
   56    HG1  THR   7           HG1      THR   7   0.046 -11.034  -4.148
   57   HG21  THR   7          HG21      THR   7  -1.387 -10.055  -1.058
   58   HG22  THR   7          HG22      THR   7  -1.752 -10.845  -2.588
   59   HG23  THR   7          HG23      THR   7  -1.428  -9.113  -2.545
   60    H    ASP   8           H        ASP   8   1.826 -10.910   0.191
   61    HA   ASP   8           HA       ASP   8  -0.035 -10.222   2.165
   62    HB2  ASP   8           HB2      ASP   8   1.161 -12.369   2.211
   63    HB3  ASP   8           HB3      ASP   8   2.653 -11.526   2.619
   64    H    ASP   9           H        ASP   9   3.173  -8.931   1.614
   65    HA   ASP   9           HA       ASP   9   3.422  -7.504   4.076
   66    HB2  ASP   9           HB2      ASP   9   4.639  -6.853   1.387
   67    HB3  ASP   9           HB3      ASP   9   5.096  -6.070   2.887
   68    H    LEU  10           H        LEU  10   2.206  -6.669   0.932
   69    HA   LEU  10           HA       LEU  10   1.553  -3.974   1.554
   70    HB2  LEU  10           HB2      LEU  10   1.933  -4.888  -0.726
   71    HB3  LEU  10           HB3      LEU  10   0.455  -5.809  -0.574
   72    HG   LEU  10           HG       LEU  10  -0.813  -3.684  -0.428
   73   HD11  LEU  10          HD11      LEU  10   0.300  -1.601  -1.061
   74   HD12  LEU  10          HD12      LEU  10   1.857  -2.431  -1.071
   75   HD13  LEU  10          HD13      LEU  10   0.965  -2.251   0.438
   76   HD21  LEU  10          HD21      LEU  10  -0.582  -3.131  -2.793
   77   HD22  LEU  10          HD22      LEU  10  -0.560  -4.875  -2.531
   78   HD23  LEU  10          HD23      LEU  10   0.947  -4.010  -2.848
   79    H    ARG  11           H        ARG  11  -0.215  -7.001   1.379
   80    HA   ARG  11           HA       ARG  11  -2.774  -6.181   2.015
   81    HB2  ARG  11           HB2      ARG  11  -2.080  -8.448   1.214
   82    HB3  ARG  11           HB3      ARG  11  -1.472  -8.792   2.822
   83    HG2  ARG  11           HG2      ARG  11  -3.670  -8.744   3.738
   84    HG3  ARG  11           HG3      ARG  11  -4.346  -8.125   2.226
   85    HD2  ARG  11           HD2      ARG  11  -4.801 -10.510   2.429
   86    HD3  ARG  11           HD3      ARG  11  -3.690 -10.208   1.096
   87    HE   ARG  11           HE       ARG  11  -2.442 -10.799   3.594
   88   HH11  ARG  11          HH11      ARG  11  -3.629 -12.231   0.576
   89   HH12  ARG  11          HH12      ARG  11  -2.814 -13.713   0.785
   90   HH21  ARG  11          HH21      ARG  11  -1.201 -12.765   3.766
   91   HH22  ARG  11          HH22      ARG  11  -1.456 -14.053   2.670
   92    H    ARG  12           H        ARG  12  -0.121  -7.072   4.207
   93    HA   ARG  12           HA       ARG  12  -1.367  -6.807   6.666
   94    HB2  ARG  12           HB2      ARG  12   1.443  -6.203   5.787
   95    HB3  ARG  12           HB3      ARG  12   0.939  -5.930   7.444
   96    HG2  ARG  12           HG2      ARG  12   0.380  -8.299   7.652
   97    HG3  ARG  12           HG3      ARG  12   0.901  -8.562   5.987
   98    HD2  ARG  12           HD2      ARG  12   3.154  -7.969   6.516
   99    HD3  ARG  12           HD3      ARG  12   2.688  -7.399   8.119
  100    HE   ARG  12           HE       ARG  12   1.950  -9.887   8.324
  101   HH11  ARG  12          HH11      ARG  12   4.982  -8.658   6.883
  102   HH12  ARG  12          HH12      ARG  12   5.869 -10.051   7.300
  103   HH21  ARG  12          HH21      ARG  12   3.227 -11.767   8.862
  104   HH22  ARG  12          HH22      ARG  12   4.865 -11.860   8.420
  105    H    ALA  13           H        ALA  13   0.059  -4.293   4.653
  106    HA   ALA  13           HA       ALA  13  -0.429  -2.198   6.512
  107    HB1  ALA  13           HB1      ALA  13   1.323  -2.036   4.809
  108    HB2  ALA  13           HB2      ALA  13   0.184  -0.695   4.689
  109    HB3  ALA  13           HB3      ALA  13   0.095  -2.033   3.545
  110    H    LEU  14           H        LEU  14  -2.150  -3.440   3.691
  111    HA   LEU  14           HA       LEU  14  -4.130  -1.449   3.757
  112    HB2  LEU  14           HB2      LEU  14  -3.979  -4.078   2.366
  113    HB3  LEU  14           HB3      LEU  14  -5.541  -3.300   2.498
  114    HG   LEU  14           HG       LEU  14  -4.576  -1.293   1.365
  115   HD11  LEU  14          HD11      LEU  14  -2.223  -3.078   0.846
  116   HD12  LEU  14          HD12      LEU  14  -2.234  -1.621   1.837
  117   HD13  LEU  14          HD13      LEU  14  -2.523  -1.510   0.098
  118   HD21  LEU  14          HD21      LEU  14  -5.898  -2.901   0.144
  119   HD22  LEU  14          HD22      LEU  14  -4.460  -3.875  -0.165
  120   HD23  LEU  14          HD23      LEU  14  -4.604  -2.263  -0.868
  121    H    VAL  15           H        VAL  15  -4.058  -4.608   5.286
  122    HA   VAL  15           HA       VAL  15  -6.656  -4.565   6.350
  123    HB   VAL  15           HB       VAL  15  -4.107  -5.727   7.556
  124   HG11  VAL  15          HG11      VAL  15  -5.576  -7.130   8.922
  125   HG12  VAL  15          HG12      VAL  15  -6.985  -6.289   8.277
  126   HG13  VAL  15          HG13      VAL  15  -5.822  -5.420   9.277
  127   HG21  VAL  15          HG21      VAL  15  -4.939  -7.853   6.677
  128   HG22  VAL  15          HG22      VAL  15  -4.698  -6.679   5.382
  129   HG23  VAL  15          HG23      VAL  15  -6.324  -7.024   5.967
  130    H    GLU  16           H        GLU  16  -3.619  -3.469   7.811
  131    HA   GLU  16           HA       GLU  16  -4.659  -2.423  10.158
  132    HB2  GLU  16           HB2      GLU  16  -2.171  -1.695   8.645
  133    HB3  GLU  16           HB3      GLU  16  -2.569  -1.022  10.216
  134    HG2  GLU  16           HG2      GLU  16  -2.162  -3.935   9.595
  135    HG3  GLU  16           HG3      GLU  16  -0.998  -2.868  10.383
  136    H    SER  17           H        SER  17  -3.987  -0.642   7.114
  137    HA   SER  17           HA       SER  17  -4.882   1.778   8.306
  138    HB2  SER  17           HB2      SER  17  -4.043   1.100   5.496
  139    HB3  SER  17           HB3      SER  17  -4.529   2.719   6.000
  140    HG   SER  17           HG       SER  17  -2.974   2.731   7.488
  141    H    ALA  18           H        ALA  18  -6.521  -0.688   6.495
  142    HA   ALA  18           HA       ALA  18  -8.755   0.960   5.799
  143    HB1  ALA  18           HB1      ALA  18  -9.911  -1.142   5.317
  144    HB2  ALA  18           HB2      ALA  18  -8.607  -2.038   6.093
  145    HB3  ALA  18           HB3      ALA  18  -8.296  -1.133   4.613
  146    H    GLY  19           H        GLY  19  -7.791  -0.944   8.512
  147    HA2  GLY  19           HA2      GLY  19  -8.549  -0.235  10.691
  148    HA3  GLY  19           HA3      GLY  19 -10.124   0.088   9.968
  149    H    GLU  20           H        GLU  20 -11.570  -1.497   9.753
  150    HA   GLU  20           HA       GLU  20 -10.810  -4.098  10.895
  151    HB2  GLU  20           HB2      GLU  20 -13.560  -2.866  10.640
  152    HB3  GLU  20           HB3      GLU  20 -13.137  -4.326  11.519
  153    HG2  GLU  20           HG2      GLU  20 -12.273  -1.527  12.220
  154    HG3  GLU  20           HG3      GLU  20 -13.544  -2.454  13.010
  155    H    THR  21           H        THR  21 -11.026  -2.717   8.082
  156    HA   THR  21           HA       THR  21 -12.848  -4.442   6.684
  157    HB   THR  21           HB       THR  21 -10.872  -2.509   5.453
  158    HG1  THR  21           HG1      THR  21 -13.486  -2.028   6.469
  159   HG21  THR  21          HG21      THR  21 -12.101  -3.998   3.908
  160   HG22  THR  21          HG22      THR  21 -12.619  -2.322   3.722
  161   HG23  THR  21          HG23      THR  21 -13.626  -3.461   4.615
  162    H    ASP  22           H        ASP  22 -11.363  -6.270   7.669
  163    HA   ASP  22           HA       ASP  22  -9.298  -6.910   5.678
  164    HB2  ASP  22           HB2      ASP  22  -8.363  -8.511   7.187
  165    HB3  ASP  22           HB3      ASP  22  -8.712  -7.097   8.158
  166    H    GLY  23           H        GLY  23 -12.394  -7.792   6.926
  167    HA2  GLY  23           HA2      GLY  23 -12.565 -10.228   5.421
  168    HA3  GLY  23           HA3      GLY  23 -13.829  -9.490   6.399
  169    H    THR  24           H        THR  24 -12.086  -9.209   3.408
  170    HA   THR  24           HA       THR  24 -14.473  -8.694   1.958
  171    HB   THR  24           HB       THR  24 -13.851  -6.364   2.605
  172    HG1  THR  24           HG1      THR  24 -14.763  -6.567   0.587
  173   HG21  THR  24          HG21      THR  24 -11.218  -6.926   1.214
  174   HG22  THR  24          HG22      THR  24 -11.444  -6.668   2.943
  175   HG23  THR  24          HG23      THR  24 -11.743  -5.350   1.807
  176    H    ASP  25           H        ASP  25 -13.306  -8.219  -0.507
  177    HA   ASP  25           HA       ASP  25 -11.674 -10.613  -0.613
  178    HB2  ASP  25           HB2      ASP  25 -13.061  -9.180  -2.873
  179    HB3  ASP  25           HB3      ASP  25 -11.970 -10.544  -3.107
  180    H    LEU  26           H        LEU  26  -9.982  -9.817   0.248
  181    HA   LEU  26           HA       LEU  26  -8.349  -8.048  -1.425
  182    HB2  LEU  26           HB2      LEU  26  -8.922  -7.455   1.025
  183    HB3  LEU  26           HB3      LEU  26  -7.897  -8.765   1.521
  184    HG   LEU  26           HG       LEU  26  -6.004  -7.587   0.336
  185   HD11  LEU  26          HD11      LEU  26  -7.361  -6.203  -1.140
  186   HD12  LEU  26          HD12      LEU  26  -6.327  -5.204  -0.114
  187   HD13  LEU  26          HD13      LEU  26  -8.046  -5.368   0.254
  188   HD21  LEU  26          HD21      LEU  26  -7.408  -6.147   2.588
  189   HD22  LEU  26          HD22      LEU  26  -5.710  -5.963   2.148
  190   HD23  LEU  26          HD23      LEU  26  -6.298  -7.509   2.758
  191    H    SER  27           H        SER  27  -7.897 -10.619   0.983
  192    HA   SER  27           HA       SER  27  -6.569 -12.420   1.096
  193    HB2  SER  27           HB2      SER  27  -8.105 -12.968  -1.434
  194    HB3  SER  27           HB3      SER  27  -7.495 -14.166  -0.292
  195    HG   SER  27           HG       SER  27  -8.937 -12.397   1.068
  196    H    GLY  28           H        GLY  28  -6.121 -13.971  -1.568
  197    HA2  GLY  28           HA2      GLY  28  -3.350 -13.798  -1.411
  198    HA3  GLY  28           HA3      GLY  28  -4.274 -14.687  -2.597
  199    H    ASP  29           H        ASP  29  -5.547 -12.273  -3.697
  200    HA   ASP  29           HA       ASP  29  -3.311 -10.680  -4.566
  201    HB2  ASP  29           HB2      ASP  29  -3.359 -12.735  -6.088
  202    HB3  ASP  29           HB3      ASP  29  -4.901 -12.133  -6.685
  203    H    PHE  30           H        PHE  30  -3.973  -8.725  -4.897
  204    HA   PHE  30           HA       PHE  30  -6.714  -8.102  -5.687
  205    HB2  PHE  30           HB2      PHE  30  -6.881  -6.491  -3.763
  206    HB3  PHE  30           HB3      PHE  30  -6.891  -8.182  -3.276
  207    HD1  PHE  30           HD1      PHE  30  -4.951  -5.056  -3.275
  208    HD2  PHE  30           HD2      PHE  30  -5.053  -9.106  -1.998
  209    HE1  PHE  30           HE1      PHE  30  -3.086  -4.621  -1.746
  210    HE2  PHE  30           HE2      PHE  30  -3.191  -8.668  -0.456
  211    HZ   PHE  30           HZ       PHE  30  -2.213  -6.431  -0.320
  212    H    LEU  31           H        LEU  31  -3.664  -7.849  -6.288
  213    HA   LEU  31           HA       LEU  31  -2.976  -5.152  -6.129
  214    HB2  LEU  31           HB2      LEU  31  -1.787  -7.385  -7.732
  215    HB3  LEU  31           HB3      LEU  31  -1.178  -5.748  -7.837
  216    HG   LEU  31           HG       LEU  31  -0.755  -5.847  -5.350
  217   HD11  LEU  31          HD11      LEU  31  -1.281  -8.782  -5.723
  218   HD12  LEU  31          HD12      LEU  31  -2.215  -7.659  -4.735
  219   HD13  LEU  31          HD13      LEU  31  -0.550  -8.036  -4.303
  220   HD21  LEU  31          HD21      LEU  31   1.031  -6.081  -6.959
  221   HD22  LEU  31          HD22      LEU  31   0.711  -7.809  -7.096
  222   HD23  LEU  31          HD23      LEU  31   1.305  -7.139  -5.576
  223    H    ASP  32           H        ASP  32  -4.856  -6.798  -8.532
  224    HA   ASP  32           HA       ASP  32  -4.531  -4.530 -10.368
  225    HB2  ASP  32           HB2      ASP  32  -4.350  -6.968 -11.149
  226    HB3  ASP  32           HB3      ASP  32  -6.090  -7.070 -10.902
  227    H    LEU  33           H        LEU  33  -6.482  -5.519  -7.885
  228    HA   LEU  33           HA       LEU  33  -8.985  -4.502  -8.908
  229    HB2  LEU  33           HB2      LEU  33  -8.163  -5.297  -6.114
  230    HB3  LEU  33           HB3      LEU  33  -9.793  -4.872  -6.599
  231    HG   LEU  33           HG       LEU  33  -8.222  -7.279  -7.523
  232   HD11  LEU  33          HD11      LEU  33  -9.912  -8.534  -6.290
  233   HD12  LEU  33          HD12      LEU  33 -10.626  -7.009  -5.751
  234   HD13  LEU  33          HD13      LEU  33  -8.996  -7.449  -5.238
  235   HD21  LEU  33          HD21      LEU  33 -11.039  -6.421  -8.192
  236   HD22  LEU  33          HD22      LEU  33 -10.298  -7.956  -8.646
  237   HD23  LEU  33          HD23      LEU  33  -9.672  -6.442  -9.305
  238    H    ARG  34           H        ARG  34  -9.746  -2.459  -8.553
  239    HA   ARG  34           HA       ARG  34  -7.743  -0.544  -7.798
  240    HB2  ARG  34           HB2      ARG  34 -10.605  -0.147  -8.662
  241    HB3  ARG  34           HB3      ARG  34  -9.462   1.155  -8.363
  242    HG2  ARG  34           HG2      ARG  34  -8.016   0.253 -10.065
  243    HG3  ARG  34           HG3      ARG  34  -9.211  -0.990 -10.447
  244    HD2  ARG  34           HD2      ARG  34 -10.841   0.845 -10.934
  245    HD3  ARG  34           HD3      ARG  34  -9.528   2.002 -10.719
  246    HE   ARG  34           HE       ARG  34  -8.658   0.131 -12.547
  247   HH11  ARG  34          HH11      ARG  34 -10.910   2.833 -12.391
  248   HH12  ARG  34          HH12      ARG  34 -11.199   2.874 -14.082
  249   HH21  ARG  34          HH21      ARG  34  -9.044   0.213 -14.869
  250   HH22  ARG  34          HH22      ARG  34 -10.077   1.411 -15.516
  251    H    PHE  35           H        PHE  35  -7.828   0.934  -6.184
  252    HA   PHE  35           HA       PHE  35  -8.542   0.037  -3.678
  253    HB2  PHE  35           HB2      PHE  35  -8.020   2.855  -4.605
  254    HB3  PHE  35           HB3      PHE  35  -8.282   2.440  -2.919
  255    HD1  PHE  35           HD2      PHE  35  -6.708   0.810  -1.816
  256    HD2  PHE  35           HD1      PHE  35  -5.902   2.580  -5.595
  257    HE1  PHE  35           HE2      PHE  35  -4.322   0.275  -1.550
  258    HE2  PHE  35           HE1      PHE  35  -3.515   2.051  -5.338
  259    HZ   PHE  35           HZ       PHE  35  -2.722   0.898  -3.314
  260    H    GLU  36           H        GLU  36 -10.470   1.973  -5.861
  261    HA   GLU  36           HA       GLU  36 -12.576   2.768  -4.262
  262    HB2  GLU  36           HB2      GLU  36 -13.964   2.753  -6.265
  263    HB3  GLU  36           HB3      GLU  36 -12.362   3.379  -6.636
  264    HG2  GLU  36           HG2      GLU  36 -11.735   1.412  -7.756
  265    HG3  GLU  36           HG3      GLU  36 -13.092   0.510  -7.095
  266    H    ASP  37           H        ASP  37 -11.848  -0.470  -5.416
  267    HA   ASP  37           HA       ASP  37 -14.525  -1.496  -5.038
  268    HB2  ASP  37           HB2      ASP  37 -13.042  -2.449  -6.756
  269    HB3  ASP  37           HB3      ASP  37 -11.918  -2.964  -5.502
  270    H    ILE  38           H        ILE  38 -11.530  -1.484  -3.302
  271    HA   ILE  38           HA       ILE  38 -12.714  -3.143  -1.224
  272    HB   ILE  38           HB       ILE  38 -10.431  -3.117  -0.177
  273   HG12  ILE  38          HG12      ILE  38  -9.672  -1.687  -2.749
  274   HG13  ILE  38          HG13      ILE  38  -9.640  -0.993  -1.135
  275   HG21  ILE  38          HG21      ILE  38  -9.420  -4.644  -1.821
  276   HG22  ILE  38          HG22      ILE  38 -10.596  -4.113  -3.023
  277   HG23  ILE  38          HG23      ILE  38 -11.138  -4.970  -1.579
  278   HD11  ILE  38          HD11      ILE  38  -7.883  -2.555  -0.500
  279   HD12  ILE  38          HD12      ILE  38  -7.416  -1.586  -1.900
  280   HD13  ILE  38          HD13      ILE  38  -7.928  -3.259  -2.115
  281    H    GLY  39           H        GLY  39 -13.293  -0.287  -1.892
  282    HA2  GLY  39           HA2      GLY  39 -13.971   1.591  -0.805
  283    HA3  GLY  39           HA3      GLY  39 -14.052   0.580   0.627
  284    H    TYR  40           H        TYR  40 -11.171   1.420  -1.238
  285    HA   TYR  40           HA       TYR  40 -10.036   2.358   1.238
  286    HB2  TYR  40           HB2      TYR  40  -8.968   1.046  -1.014
  287    HB3  TYR  40           HB3      TYR  40  -8.216   2.643  -0.939
  288    HD1  TYR  40           HD1      TYR  40  -8.890  -0.417   1.005
  289    HD2  TYR  40           HD2      TYR  40  -6.659   3.174   0.715
  290    HE1  TYR  40           HE1      TYR  40  -7.505  -1.136   2.896
  291    HE2  TYR  40           HE2      TYR  40  -5.265   2.468   2.603
  292    HH   TYR  40           HH       TYR  40  -5.438  -0.692   3.918
  293    H    ASP  41           H        ASP  41 -10.634   4.074   1.802
  294    HA   ASP  41           HA       ASP  41 -11.678   6.299   0.800
  295    HB2  ASP  41           HB2      ASP  41 -11.445   5.888   3.138
  296    HB3  ASP  41           HB3      ASP  41  -9.701   5.956   3.037
  297    H    SER  42           H        SER  42  -8.483   7.052   1.875
  298    HA   SER  42           HA       SER  42  -6.984   7.405  -0.423
  299    HB2  SER  42           HB2      SER  42  -7.099   9.888  -0.687
  300    HB3  SER  42           HB3      SER  42  -8.606   9.101  -1.159
  301    H    LEU  43           H        LEU  43  -7.983   8.990   2.552
  302    HA   LEU  43           HA       LEU  43  -5.391   9.764   3.372
  303    HB2  LEU  43           HB2      LEU  43  -7.859   9.158   5.023
  304    HB3  LEU  43           HB3      LEU  43  -6.453  10.040   5.587
  305    HG   LEU  43           HG       LEU  43  -8.245  10.991   3.346
  306   HD11  LEU  43          HD11      LEU  43  -9.480  10.913   5.440
  307   HD12  LEU  43          HD12      LEU  43  -9.142  12.572   4.939
  308   HD13  LEU  43          HD13      LEU  43  -8.202  11.837   6.238
  309   HD21  LEU  43          HD21      LEU  43  -5.970  11.865   3.263
  310   HD22  LEU  43          HD22      LEU  43  -6.102  12.395   4.940
  311   HD23  LEU  43          HD23      LEU  43  -7.119  13.129   3.700
  312    H    ALA  44           H        ALA  44  -7.475   7.031   4.010
  313    HA   ALA  44           HA       ALA  44  -5.741   5.463   5.561
  314    HB1  ALA  44           HB1      ALA  44  -8.141   4.970   5.272
  315    HB2  ALA  44           HB2      ALA  44  -7.138   3.569   4.907
  316    HB3  ALA  44           HB3      ALA  44  -7.843   4.504   3.596
  317    H    LEU  45           H        LEU  45  -6.011   5.908   2.123
  318    HA   LEU  45           HA       LEU  45  -4.391   3.725   1.263
  319    HB2  LEU  45           HB2      LEU  45  -6.136   5.145  -0.027
  320    HB3  LEU  45           HB3      LEU  45  -4.856   6.304  -0.237
  321    HG   LEU  45           HG       LEU  45  -4.909   3.484  -1.330
  322   HD11  LEU  45          HD11      LEU  45  -5.231   6.144  -2.685
  323   HD12  LEU  45          HD12      LEU  45  -6.491   4.938  -2.406
  324   HD13  LEU  45          HD13      LEU  45  -5.148   4.578  -3.493
  325   HD21  LEU  45          HD21      LEU  45  -2.931   4.117  -2.626
  326   HD22  LEU  45          HD22      LEU  45  -2.600   4.211  -0.897
  327   HD23  LEU  45          HD23      LEU  45  -2.894   5.685  -1.821
  328    H    MET  46           H        MET  46  -3.811   7.184   1.734
  329    HA   MET  46           HA       MET  46  -1.050   7.081   1.064
  330    HB2  MET  46           HB2      MET  46  -2.556   9.166   2.668
  331    HB3  MET  46           HB3      MET  46  -0.949   9.375   1.976
  332    HG2  MET  46           HG2      MET  46  -1.874   9.087  -0.256
  333    HG3  MET  46           HG3      MET  46  -3.476   8.871   0.449
  334    HE1  MET  46           HE1      MET  46  -4.746  10.865   1.775
  335    HE2  MET  46           HE2      MET  46  -4.093  12.495   1.937
  336    HE3  MET  46           HE3      MET  46  -3.322  11.147   2.780
  337    H    GLU  47           H        GLU  47  -2.867   6.616   3.962
  338    HA   GLU  47           HA       GLU  47  -0.763   6.690   5.818
  339    HB2  GLU  47           HB2      GLU  47  -3.181   6.763   6.280
  340    HB3  GLU  47           HB3      GLU  47  -3.273   5.053   5.906
  341    HG2  GLU  47           HG2      GLU  47  -1.518   4.662   7.679
  342    HG3  GLU  47           HG3      GLU  47  -1.790   6.328   8.188
  343    H    THR  48           H        THR  48  -2.076   4.158   3.732
  344    HA   THR  48           HA       THR  48  -0.739   1.912   4.710
  345    HB   THR  48           HB       THR  48  -1.437   2.713   1.871
  346    HG1  THR  48           HG1      THR  48  -2.962   2.006   3.942
  347   HG21  THR  48          HG21      THR  48  -0.784  -0.030   2.974
  348   HG22  THR  48          HG22      THR  48   0.209   0.917   1.862
  349   HG23  THR  48          HG23      THR  48  -1.359   0.307   1.340
  350    H    ALA  49           H        ALA  49   0.136   4.207   2.182
  351    HA   ALA  49           HA       ALA  49   2.692   3.293   1.584
  352    HB1  ALA  49           HB1      ALA  49   1.455   4.889   0.205
  353    HB2  ALA  49           HB2      ALA  49   3.056   5.508   0.617
  354    HB3  ALA  49           HB3      ALA  49   1.632   6.115   1.461
  355    H    ALA  50           H        ALA  50   1.689   5.881   3.816
  356    HA   ALA  50           HA       ALA  50   4.229   6.575   4.750
  357    HB1  ALA  50           HB1      ALA  50   1.602   6.821   6.201
  358    HB2  ALA  50           HB2      ALA  50   2.237   7.969   5.020
  359    HB3  ALA  50           HB3      ALA  50   3.078   7.722   6.550
  360    H    ARG  51           H        ARG  51   2.008   4.141   5.873
  361    HA   ARG  51           HA       ARG  51   3.282   3.448   8.275
  362    HB2  ARG  51           HB2      ARG  51   0.976   2.782   7.590
  363    HB3  ARG  51           HB3      ARG  51   1.670   1.694   6.402
  364    HG2  ARG  51           HG2      ARG  51   2.634   0.349   8.175
  365    HG3  ARG  51           HG3      ARG  51   2.021   1.486   9.381
  366    HD2  ARG  51           HD2      ARG  51   0.335  -0.164   7.485
  367    HD3  ARG  51           HD3      ARG  51   0.581  -0.486   9.200
  368    HE   ARG  51           HE       ARG  51  -1.020   1.674   8.022
  369   HH11  ARG  51          HH11      ARG  51   0.085  -0.023  10.933
  370   HH12  ARG  51          HH12      ARG  51  -1.058   0.680  11.969
  371   HH21  ARG  51          HH21      ARG  51  -2.700   2.635   9.503
  372   HH22  ARG  51          HH22      ARG  51  -2.689   2.135  11.117
  373    H    LEU  52           H        LEU  52   3.566   2.122   4.994
  374    HA   LEU  52           HA       LEU  52   5.671   0.327   5.649
  375    HB2  LEU  52           HB2      LEU  52   4.915   1.410   2.917
  376    HB3  LEU  52           HB3      LEU  52   5.953   0.026   3.231
  377    HG   LEU  52           HG       LEU  52   3.021   0.157   3.913
  378   HD11  LEU  52          HD11      LEU  52   2.755  -1.459   2.107
  379   HD12  LEU  52          HD12      LEU  52   4.471  -1.319   1.728
  380   HD13  LEU  52          HD13      LEU  52   3.403   0.068   1.509
  381   HD21  LEU  52          HD21      LEU  52   5.003  -2.115   4.073
  382   HD22  LEU  52          HD22      LEU  52   3.272  -2.228   4.390
  383   HD23  LEU  52          HD23      LEU  52   4.302  -1.258   5.447
  384    H    GLU  53           H        GLU  53   5.625   3.668   4.495
  385    HA   GLU  53           HA       GLU  53   8.323   4.075   3.917
  386    HB2  GLU  53           HB2      GLU  53   6.490   5.951   5.371
  387    HB3  GLU  53           HB3      GLU  53   8.052   6.393   4.732
  388    HG2  GLU  53           HG2      GLU  53   7.172   5.927   2.467
  389    HG3  GLU  53           HG3      GLU  53   5.583   5.648   3.200
  390    H    SER  54           H        SER  54   6.635   4.438   6.954
  391    HA   SER  54           HA       SER  54   8.798   5.238   8.513
  392    HB2  SER  54           HB2      SER  54   6.294   3.780   9.352
  393    HB3  SER  54           HB3      SER  54   7.347   4.736  10.399
  394    HG   SER  54           HG       SER  54   5.684   5.637   8.271
  395    H    ARG  55           H        ARG  55   7.360   2.014   8.099
  396    HA   ARG  55           HA       ARG  55   9.124   0.768   9.904
  397    HB2  ARG  55           HB2      ARG  55   6.918  -0.134   9.385
  398    HB3  ARG  55           HB3      ARG  55   7.450  -0.497   7.749
  399    HG2  ARG  55           HG2      ARG  55   8.974  -2.151   8.523
  400    HG3  ARG  55           HG3      ARG  55   8.733  -1.670  10.205
  401    HD2  ARG  55           HD2      ARG  55   6.659  -2.867   8.381
  402    HD3  ARG  55           HD3      ARG  55   7.491  -3.700   9.696
  403    HE   ARG  55           HE       ARG  55   6.286  -1.388  10.723
  404   HH11  ARG  55          HH11      ARG  55   5.330  -4.597   9.517
  405   HH12  ARG  55          HH12      ARG  55   3.845  -4.579  10.369
  406   HH21  ARG  55          HH21      ARG  55   4.226  -1.403  11.819
  407   HH22  ARG  55          HH22      ARG  55   3.204  -2.753  11.635
  408    H    TYR  56           H        TYR  56   9.221   1.000   6.361
  409    HA   TYR  56           HA       TYR  56  11.602  -0.681   6.398
  410    HB2  TYR  56           HB2      TYR  56   9.903   0.298   4.112
  411    HB3  TYR  56           HB3      TYR  56  11.349  -0.678   3.902
  412    HD1  TYR  56           HD2      TYR  56  11.389  -3.007   4.887
  413    HD2  TYR  56           HD1      TYR  56   7.849  -0.673   4.687
  414    HE1  TYR  56           HE2      TYR  56  10.040  -5.039   5.187
  415    HE2  TYR  56           HE1      TYR  56   6.490  -2.689   4.987
  416    HH   TYR  56           HH       TYR  56   7.758  -5.592   6.050
  417    H    GLY  57           H        GLY  57  10.795   2.650   6.016
  418    HA2  GLY  57           HA2      GLY  57  12.351   4.379   6.130
  419    HA3  GLY  57           HA3      GLY  57  13.626   3.235   5.731
  420    H    VAL  58           H        VAL  58  10.639   4.413   4.242
  421    HA   VAL  58           HA       VAL  58  12.167   4.965   1.825
  422    HB   VAL  58           HB       VAL  58  10.461   4.100   0.331
  423   HG11  VAL  58          HG11      VAL  58  10.589   1.707   0.746
  424   HG12  VAL  58          HG12      VAL  58  11.136   2.048   2.388
  425   HG13  VAL  58          HG13      VAL  58  12.142   2.515   1.014
  426   HG21  VAL  58          HG21      VAL  58   8.511   2.835   1.110
  427   HG22  VAL  58          HG22      VAL  58   8.466   4.515   1.655
  428   HG23  VAL  58          HG23      VAL  58   8.923   3.237   2.778
  429    H    SER  59           H        SER  59  10.595   6.257   0.233
  430    HA   SER  59           HA       SER  59   8.967   8.045   1.824
  431    HB2  SER  59           HB2      SER  59   9.907   9.871   0.260
  432    HB3  SER  59           HB3      SER  59  10.957   9.299   1.560
  433    HG   SER  59           HG       SER  59  11.725   9.447  -0.823
  434    H    ILE  60           H        ILE  60   7.019   8.009   1.064
  435    HA   ILE  60           HA       ILE  60   6.580   7.641  -1.830
  436    HB   ILE  60           HB       ILE  60   4.701   6.663   0.351
  437   HG12  ILE  60          HG12      ILE  60   6.710   5.233   0.315
  438   HG13  ILE  60          HG13      ILE  60   5.298   4.364  -0.278
  439   HG21  ILE  60          HG21      ILE  60   3.558   7.303  -1.684
  440   HG22  ILE  60          HG22      ILE  60   3.502   5.552  -1.490
  441   HG23  ILE  60          HG23      ILE  60   4.627   6.275  -2.639
  442   HD11  ILE  60          HD11      ILE  60   6.081   4.700  -2.579
  443   HD12  ILE  60          HD12      ILE  60   7.271   3.846  -1.598
  444   HD13  ILE  60          HD13      ILE  60   7.495   5.558  -1.965
  445    HA   PRO  61           HA       PRO  61   4.862  11.713  -0.826
  446    HB2  PRO  61           HB2      PRO  61   4.508  11.766  -3.764
  447    HB3  PRO  61           HB3      PRO  61   5.351  12.911  -2.717
  448    HG2  PRO  61           HG2      PRO  61   6.712  11.279  -4.320
  449    HG3  PRO  61           HG3      PRO  61   7.305  11.668  -2.696
  450    HD2  PRO  61           HD2      PRO  61   5.898   9.208  -3.657
  451    HD3  PRO  61           HD3      PRO  61   7.293   9.351  -2.564
  452    H    ASP  62           H        ASP  62   2.814  12.125  -0.352
  453    HA   ASP  62           HA       ASP  62   0.672  10.393  -0.819
  454    HB2  ASP  62           HB2      ASP  62  -0.788  12.048   0.155
  455    HB3  ASP  62           HB3      ASP  62   0.728  12.040   1.038
  456    H    ASP  63           H        ASP  63   1.937  12.795  -2.837
  457    HA   ASP  63           HA       ASP  63  -0.357  13.425  -4.403
  458    HB2  ASP  63           HB2      ASP  63   2.582  13.477  -5.148
  459    HB3  ASP  63           HB3      ASP  63   1.288  14.213  -6.083
  460    H    VAL  64           H        VAL  64   2.133  11.011  -4.518
  461    HA   VAL  64           HA       VAL  64   1.243   9.773  -6.999
  462    HB   VAL  64           HB       VAL  64   2.986   8.618  -4.844
  463   HG11  VAL  64          HG11      VAL  64   2.827   8.122  -7.823
  464   HG12  VAL  64          HG12      VAL  64   2.224   7.059  -6.553
  465   HG13  VAL  64          HG13      VAL  64   3.959   7.330  -6.724
  466   HG21  VAL  64          HG21      VAL  64   3.874  10.368  -7.144
  467   HG22  VAL  64          HG22      VAL  64   4.956   9.476  -6.076
  468   HG23  VAL  64          HG23      VAL  64   3.951  10.772  -5.430
  469    H    ALA  65           H        ALA  65   1.121   9.111  -3.570
  470    HA   ALA  65           HA       ALA  65  -0.280   6.709  -3.680
  471    HB1  ALA  65           HB1      ALA  65   0.852   7.466  -1.684
  472    HB2  ALA  65           HB2      ALA  65  -0.846   7.134  -1.320
  473    HB3  ALA  65           HB3      ALA  65  -0.280   8.801  -1.525
  474    H    GLY  66           H        GLY  66  -1.510   9.990  -3.929
  475    HA2  GLY  66           HA2      GLY  66  -4.271   9.137  -3.706
  476    HA3  GLY  66           HA3      GLY  66  -3.702  10.750  -4.113
  477    H    ARG  67           H        ARG  67  -1.990   9.001  -6.124
  478    HA   ARG  67           HA       ARG  67  -3.942   9.223  -8.305
  479    HB2  ARG  67           HB2      ARG  67  -0.983   9.476  -8.161
  480    HB3  ARG  67           HB3      ARG  67  -1.766   9.077  -9.676
  481    HG2  ARG  67           HG2      ARG  67  -2.962  11.144  -9.681
  482    HG3  ARG  67           HG3      ARG  67  -2.404  11.521  -8.043
  483    HD2  ARG  67           HD2      ARG  67  -1.164  12.610 -10.001
  484    HD3  ARG  67           HD3      ARG  67  -0.203  11.840  -8.734
  485    HE   ARG  67           HE       ARG  67  -0.896  10.228 -11.051
  486   HH11  ARG  67          HH11      ARG  67   1.566  12.336  -9.597
  487   HH12  ARG  67          HH12      ARG  67   2.869  11.438 -10.264
  488   HH21  ARG  67          HH21      ARG  67   0.971   8.968 -11.850
  489   HH22  ARG  67          HH22      ARG  67   2.540   9.581 -11.517
  490    H    VAL  68           H        VAL  68  -2.208   6.929  -6.500
  491    HA   VAL  68           HA       VAL  68  -1.999   5.059  -8.645
  492    HB   VAL  68           HB       VAL  68  -1.367   3.382  -6.810
  493   HG11  VAL  68          HG11      VAL  68   0.288   4.563  -8.159
  494   HG12  VAL  68          HG12      VAL  68   0.851   4.395  -6.493
  495   HG13  VAL  68          HG13      VAL  68   0.218   5.940  -7.059
  496   HG21  VAL  68          HG21      VAL  68  -0.764   4.293  -4.635
  497   HG22  VAL  68          HG22      VAL  68  -2.481   4.604  -4.941
  498   HG23  VAL  68          HG23      VAL  68  -1.283   5.888  -5.161
  499    H    ASP  69           H        ASP  69  -3.420   3.841  -9.416
  500    HA   ASP  69           HA       ASP  69  -6.094   3.826  -8.377
  501    HB2  ASP  69           HB2      ASP  69  -6.581   2.665 -10.500
  502    HB3  ASP  69           HB3      ASP  69  -5.771   4.210 -10.720
  503    H    THR  70           H        THR  70  -3.435   1.570  -8.619
  504    HA   THR  70           HA       THR  70  -5.152  -0.436  -7.420
  505    HB   THR  70           HB       THR  70  -3.750  -2.107  -8.849
  506    HG1  THR  70           HG1      THR  70  -3.743   0.094 -10.629
  507   HG21  THR  70          HG21      THR  70  -5.893  -0.394 -10.110
  508   HG22  THR  70          HG22      THR  70  -6.170  -1.794  -9.073
  509   HG23  THR  70          HG23      THR  70  -5.415  -2.003 -10.654
  510    HA   PRO  71           HA       PRO  71  -2.103  -0.960  -4.293
  511    HB2  PRO  71           HB2      PRO  71  -2.546  -3.872  -4.793
  512    HB3  PRO  71           HB3      PRO  71  -2.569  -2.972  -3.270
  513    HG2  PRO  71           HG2      PRO  71  -4.850  -3.689  -4.391
  514    HG3  PRO  71           HG3      PRO  71  -4.678  -2.067  -3.686
  515    HD2  PRO  71           HD2      PRO  71  -4.622  -2.922  -6.540
  516    HD3  PRO  71           HD3      PRO  71  -5.359  -1.485  -5.803
  517    H    ARG  72           H        ARG  72  -1.847  -2.917  -7.212
  518    HA   ARG  72           HA       ARG  72   0.757  -3.855  -7.042
  519    HB2  ARG  72           HB2      ARG  72  -0.788  -4.471  -8.839
  520    HB3  ARG  72           HB3      ARG  72  -0.677  -2.847  -9.499
  521    HG2  ARG  72           HG2      ARG  72   1.714  -3.207  -9.935
  522    HG3  ARG  72           HG3      ARG  72   1.560  -4.853  -9.314
  523    HD2  ARG  72           HD2      ARG  72   0.060  -3.712 -11.658
  524    HD3  ARG  72           HD3      ARG  72   1.457  -4.784 -11.760
  525    HE   ARG  72           HE       ARG  72   0.070  -6.443 -10.558
  526   HH11  ARG  72          HH11      ARG  72  -1.626  -3.835 -12.294
  527   HH12  ARG  72          HH12      ARG  72  -2.944  -4.845 -12.733
  528   HH21  ARG  72          HH21      ARG  72  -1.794  -7.744 -11.127
  529   HH22  ARG  72          HH22      ARG  72  -3.024  -7.052 -12.095
  530    H    GLU  73           H        GLU  73  -0.418  -0.712  -8.132
  531    HA   GLU  73           HA       GLU  73   2.009   0.397  -9.034
  532    HB2  GLU  73           HB2      GLU  73  -0.340   1.852  -7.818
  533    HB3  GLU  73           HB3      GLU  73   0.874   2.521  -8.890
  534    HG2  GLU  73           HG2      GLU  73  -1.159   0.432  -9.619
  535    HG3  GLU  73           HG3      GLU  73  -1.245   2.147 -10.010
  536    H    LEU  74           H        LEU  74   0.352   0.417  -5.948
  537    HA   LEU  74           HA       LEU  74   2.102   2.250  -4.643
  538    HB2  LEU  74           HB2      LEU  74  -0.329   1.612  -4.056
  539    HB3  LEU  74           HB3      LEU  74   0.340   0.188  -3.305
  540    HG   LEU  74           HG       LEU  74   0.915   3.036  -2.430
  541   HD11  LEU  74          HD11      LEU  74  -1.392   2.475  -2.102
  542   HD12  LEU  74          HD12      LEU  74  -0.554   2.546  -0.549
  543   HD13  LEU  74          HD13      LEU  74  -0.946   0.984  -1.273
  544   HD21  LEU  74          HD21      LEU  74   1.509   0.409  -1.048
  545   HD22  LEU  74          HD22      LEU  74   1.810   2.017  -0.390
  546   HD23  LEU  74          HD23      LEU  74   2.706   1.459  -1.806
  547    H    LEU  75           H        LEU  75   1.803  -1.276  -4.690
  548    HA   LEU  75           HA       LEU  75   3.950  -1.905  -3.001
  549    HB2  LEU  75           HB2      LEU  75   2.247  -3.522  -3.861
  550    HB3  LEU  75           HB3      LEU  75   3.026  -3.457  -5.429
  551    HG   LEU  75           HG       LEU  75   5.092  -4.372  -4.399
  552   HD11  LEU  75          HD11      LEU  75   3.342  -4.688  -1.972
  553   HD12  LEU  75          HD12      LEU  75   4.733  -3.614  -2.127
  554   HD13  LEU  75          HD13      LEU  75   4.958  -5.364  -2.180
  555   HD21  LEU  75          HD21      LEU  75   4.249  -6.656  -4.142
  556   HD22  LEU  75          HD22      LEU  75   3.507  -5.850  -5.521
  557   HD23  LEU  75          HD23      LEU  75   2.605  -6.036  -4.019
  558    H    ASP  76           H        ASP  76   3.791  -1.279  -6.450
  559    HA   ASP  76           HA       ASP  76   6.479  -1.755  -7.105
  560    HB2  ASP  76           HB2      ASP  76   4.782  -1.676  -8.820
  561    HB3  ASP  76           HB3      ASP  76   4.392  -0.009  -8.416
  562    H    LEU  77           H        LEU  77   4.816   1.129  -5.990
  563    HA   LEU  77           HA       LEU  77   6.908   2.983  -6.239
  564    HB2  LEU  77           HB2      LEU  77   4.815   2.840  -4.070
  565    HB3  LEU  77           HB3      LEU  77   5.809   4.230  -4.430
  566    HG   LEU  77           HG       LEU  77   3.732   3.041  -6.250
  567   HD11  LEU  77          HD11      LEU  77   3.715   5.550  -4.583
  568   HD12  LEU  77          HD12      LEU  77   2.751   4.098  -4.306
  569   HD13  LEU  77          HD13      LEU  77   2.473   5.081  -5.744
  570   HD21  LEU  77          HD21      LEU  77   4.101   5.057  -7.606
  571   HD22  LEU  77          HD22      LEU  77   5.565   4.074  -7.493
  572   HD23  LEU  77          HD23      LEU  77   5.408   5.537  -6.523
  573    H    ILE  78           H        ILE  78   6.018   0.830  -3.602
  574    HA   ILE  78           HA       ILE  78   8.062   1.514  -1.797
  575    HB   ILE  78           HB       ILE  78   6.767  -1.213  -2.152
  576   HG12  ILE  78          HG12      ILE  78   5.067   0.527  -1.800
  577   HG13  ILE  78          HG13      ILE  78   5.194  -0.520  -0.396
  578   HG21  ILE  78          HG21      ILE  78   8.182  -0.001   0.224
  579   HG22  ILE  78          HG22      ILE  78   8.781  -1.310  -0.790
  580   HG23  ILE  78          HG23      ILE  78   7.350  -1.556   0.212
  581   HD11  ILE  78          HD11      ILE  78   6.377   2.237  -0.657
  582   HD12  ILE  78          HD12      ILE  78   6.504   1.191   0.760
  583   HD13  ILE  78          HD13      ILE  78   4.930   1.805   0.257
  584    H    ASN  79           H        ASN  79   7.870  -1.011  -4.256
  585    HA   ASN  79           HA       ASN  79  10.418  -2.155  -3.975
  586    HB2  ASN  79           HB2      ASN  79   8.651  -1.876  -6.409
  587    HB3  ASN  79           HB3      ASN  79  10.222  -2.635  -6.517
  588   HD21  ASN  79          HD21      ASN  79   8.130  -3.057  -3.702
  589   HD22  ASN  79          HD22      ASN  79   7.739  -4.706  -4.055
  590    H    GLY  80           H        GLY  80   9.384   0.590  -5.952
  591    HA2  GLY  80           HA2      GLY  80  11.905   1.090  -7.152
  592    HA3  GLY  80           HA3      GLY  80  10.549   2.205  -7.086
  593    H    ALA  81           H        ALA  81  10.376   2.270  -4.225
  594    HA   ALA  81           HA       ALA  81  12.310   4.269  -3.708
  595    HB1  ALA  81           HB1      ALA  81  11.327   4.363  -1.469
  596    HB2  ALA  81           HB2      ALA  81  10.460   2.860  -1.782
  597    HB3  ALA  81           HB3      ALA  81  10.069   4.309  -2.704
  598    H    LEU  82           H        LEU  82  11.877   0.946  -2.542
  599    HA   LEU  82           HA       LEU  82  14.129   0.870  -0.842
  600    HB2  LEU  82           HB2      LEU  82  12.538  -1.301  -2.174
  601    HB3  LEU  82           HB3      LEU  82  13.889  -1.650  -1.112
  602    HG   LEU  82           HG       LEU  82  11.482  -0.050  -0.246
  603   HD11  LEU  82          HD11      LEU  82  10.741  -2.084   0.879
  604   HD12  LEU  82          HD12      LEU  82  12.091  -2.973   0.178
  605   HD13  LEU  82          HD13      LEU  82  10.824  -2.348  -0.863
  606   HD21  LEU  82          HD21      LEU  82  13.522   0.334   1.035
  607   HD22  LEU  82          HD22      LEU  82  13.705  -1.400   1.286
  608   HD23  LEU  82          HD23      LEU  82  12.332  -0.546   1.994
  609    H    ALA  83           H        ALA  83  13.865   0.602  -4.223
  610    HA   ALA  83           HA       ALA  83  16.242  -0.761  -4.835
  611    HB1  ALA  83           HB1      ALA  83  14.877   1.427  -6.412
  612    HB2  ALA  83           HB2      ALA  83  14.510  -0.296  -6.511
  613    HB3  ALA  83           HB3      ALA  83  16.085   0.302  -7.032
  614    H    GLU  84           H        GLU  84  15.578   2.527  -3.935
  615    HA   GLU  84           HA       GLU  84  18.394   3.256  -4.304
  616    HB2  GLU  84           HB2      GLU  84  16.778   4.688  -5.461
  617    HB3  GLU  84           HB3      GLU  84  15.954   4.997  -3.942
  618    HG2  GLU  84           HG2      GLU  84  17.951   6.112  -3.085
  619    HG3  GLU  84           HG3      GLU  84  18.772   5.799  -4.613
  620    H    ALA  85           H        ALA  85  15.691   3.870  -2.061
  621    HA   ALA  85           HA       ALA  85  17.596   4.354   0.078
  622    HB1  ALA  85           HB1      ALA  85  15.688   5.315   1.270
  623    HB2  ALA  85           HB2      ALA  85  14.623   4.865  -0.065
  624    HB3  ALA  85           HB3      ALA  85  15.891   6.068  -0.313
  625    H    ALA  86           H        ALA  86  18.153   2.520   1.017
  626    HA   ALA  86           HA       ALA  86  16.037   0.774   1.976
  627    HB1  ALA  86           HB1      ALA  86  16.944  -0.276  -0.051
  628    HB2  ALA  86           HB2      ALA  86  17.375  -1.203   1.385
  629    HB3  ALA  86           HB3      ALA  86  18.573  -0.162   0.615
  630    H28  SXA  87          H28A      SXA  87  -7.111  12.467   0.823
  631   H28A  SXA  87          H28B      SXA  87  -7.593  12.636  -0.865
  632    H30  SXA  87          H30A      SXA  87  -8.454  14.748  -1.696
  633   H30A  SXA  87          H30B      SXA  87  -8.583  16.168  -0.659
  634   H30B  SXA  87          H30C      SXA  87  -9.647  14.782  -0.396
  635    H31  SXA  87          H31A      SXA  87  -7.827  16.001   1.770
  636   H31A  SXA  87          H31B      SXA  87  -7.260  14.444   2.377
  637   H31B  SXA  87          H31C      SXA  87  -8.955  14.657   1.945
  638    H32  SXA  87          H32A      SXA  87  -5.813  14.422  -1.039
  639   HO33  SXA  87          H33A      SXA  87  -5.095  15.459   1.325
  640   HN36  SXA  87          H36A      SXA  87  -6.721  16.357  -2.093
  641    H37  SXA  87          H37A      SXA  87  -6.552  18.972  -0.842
  642   H37A  SXA  87          H37B      SXA  87  -5.365  18.652  -2.114
  643    H38  SXA  87          H38A      SXA  87  -7.336  19.780  -3.029
  644   H38A  SXA  87          H38B      SXA  87  -7.179  18.151  -3.690
  645   HN41  SXA  87          H41A      SXA  87  -9.263  17.775  -4.171
  646    H42  SXA  87          H42A      SXA  87 -10.967  16.792  -2.208
  647   H42A  SXA  87          H42B      SXA  87 -11.543  18.400  -2.682
  648    H43  SXA  87          H43A      SXA  87 -10.985  16.111  -4.572
  649   H43A  SXA  87          H43B      SXA  87 -11.849  17.616  -4.973
  650    H2   SXA  87           H2C      SXA  87 -15.204  17.600  -1.420
  651    H2A  SXA  87           H2A      SXA  87 -15.356  16.087  -2.322
  652    H2B  SXA  87           H2B      SXA  87 -16.137  17.555  -2.922
  Start of MODEL   19
    1    H1   MET   1           H1       MET   1  16.566  -2.820   4.926
    2    H2   MET   1           H2       MET   1  16.235  -1.988   3.488
    3    H3   MET   1           H3       MET   1  17.780  -2.553   3.783
    4    HA   MET   1           HA       MET   1  16.408  -3.739   2.189
    5    HB2  MET   1           HB2      MET   1  17.180  -6.076   3.094
    6    HB3  MET   1           HB3      MET   1  18.357  -4.883   2.608
    7    HG2  MET   1           HG2      MET   1  19.142  -5.969   4.588
    8    HG3  MET   1           HG3      MET   1  18.704  -4.328   5.020
    9    HE1  MET   1           HE1      MET   1  19.260  -6.767   7.093
   10    HE2  MET   1           HE2      MET   1  17.976  -6.485   8.267
   11    HE3  MET   1           HE3      MET   1  18.888  -5.124   7.616
   12    H    ALA   2           H        ALA   2  15.637  -5.289   5.281
   13    HA   ALA   2           HA       ALA   2  13.884  -6.323   6.018
   14    HB1  ALA   2           HB1      ALA   2  11.663  -5.326   5.764
   15    HB2  ALA   2           HB2      ALA   2  12.252  -4.313   4.442
   16    HB3  ALA   2           HB3      ALA   2  12.875  -4.088   6.074
   17    H    THR   3           H        THR   3  11.991  -5.714   3.135
   18    HA   THR   3           HA       THR   3  12.621  -8.237   1.930
   19    HB   THR   3           HB       THR   3   9.833  -7.766   3.084
   20    HG1  THR   3           HG1      THR   3  12.062  -9.008   4.151
   21   HG21  THR   3          HG21      THR   3  11.064 -10.192   1.755
   22   HG22  THR   3          HG22      THR   3   9.878  -9.104   1.028
   23   HG23  THR   3          HG23      THR   3   9.429 -10.097   2.414
   24    H    LEU   4           H        LEU   4  12.095  -7.982  -0.264
   25    HA   LEU   4           HA       LEU   4  10.909  -5.569  -1.201
   26    HB2  LEU   4           HB2      LEU   4  11.196  -8.249  -2.595
   27    HB3  LEU   4           HB3      LEU   4  10.668  -6.779  -3.380
   28    HG   LEU   4           HG       LEU   4  13.409  -7.302  -2.228
   29   HD11  LEU   4          HD11      LEU   4  12.966  -8.491  -4.299
   30   HD12  LEU   4          HD12      LEU   4  14.116  -7.181  -4.565
   31   HD13  LEU   4          HD13      LEU   4  12.434  -6.992  -5.059
   32   HD21  LEU   4          HD21      LEU   4  12.781  -4.952  -1.957
   33   HD22  LEU   4          HD22      LEU   4  12.332  -4.868  -3.659
   34   HD23  LEU   4          HD23      LEU   4  14.015  -5.136  -3.204
   35    H    LEU   5           H        LEU   5   8.778  -5.172  -1.694
   36    HA   LEU   5           HA       LEU   5   7.082  -6.753  -0.024
   37    HB2  LEU   5           HB2      LEU   5   6.344  -4.316  -1.612
   38    HB3  LEU   5           HB3      LEU   5   5.344  -5.101  -0.414
   39    HG   LEU   5           HG       LEU   5   7.761  -3.396  -0.046
   40   HD11  LEU   5          HD11      LEU   5   5.041  -3.433   1.220
   41   HD12  LEU   5          HD12      LEU   5   5.614  -2.332  -0.032
   42   HD13  LEU   5          HD13      LEU   5   6.327  -2.279   1.579
   43   HD21  LEU   5          HD21      LEU   5   6.666  -5.300   2.026
   44   HD22  LEU   5          HD22      LEU   5   7.861  -4.038   2.321
   45   HD23  LEU   5          HD23      LEU   5   8.252  -5.392   1.262
   46    H    THR   6           H        THR   6   5.560  -8.016  -0.469
   47    HA   THR   6           HA       THR   6   4.726  -8.403  -3.228
   48    HB   THR   6           HB       THR   6   4.222 -10.809  -2.409
   49    HG1  THR   6           HG1      THR   6   5.539  -9.787  -0.164
   50   HG21  THR   6          HG21      THR   6   6.509 -11.565  -2.921
   51   HG22  THR   6          HG22      THR   6   7.091  -9.912  -2.718
   52   HG23  THR   6          HG23      THR   6   5.981 -10.300  -4.030
   53    H    THR   7           H        THR   7   2.544 -10.023  -2.809
   54    HA   THR   7           HA       THR   7   0.440  -8.361  -2.211
   55    HB   THR   7           HB       THR   7   0.629 -11.369  -1.948
   56    HG1  THR   7           HG1      THR   7   1.116 -10.442  -4.018
   57   HG21  THR   7          HG21      THR   7  -1.849  -9.642  -2.229
   58   HG22  THR   7          HG22      THR   7  -1.391 -10.552  -0.792
   59   HG23  THR   7          HG23      THR   7  -1.821 -11.402  -2.273
   60    H    ASP   8           H        ASP   8   1.797 -10.860  -0.086
   61    HA   ASP   8           HA       ASP   8   0.249 -10.514   2.168
   62    HB2  ASP   8           HB2      ASP   8   1.780 -12.373   1.931
   63    HB3  ASP   8           HB3      ASP   8   3.162 -11.289   2.007
   64    H    ASP   9           H        ASP   9   3.210  -8.777   1.361
   65    HA   ASP   9           HA       ASP   9   3.531  -7.407   3.827
   66    HB2  ASP   9           HB2      ASP   9   4.447  -6.534   1.105
   67    HB3  ASP   9           HB3      ASP   9   5.096  -5.959   2.633
   68    H    LEU  10           H        LEU  10   2.169  -6.455   0.737
   69    HA   LEU  10           HA       LEU  10   1.472  -3.837   1.575
   70    HB2  LEU  10           HB2      LEU  10   1.828  -4.518  -0.785
   71    HB3  LEU  10           HB3      LEU  10   0.363  -5.474  -0.707
   72    HG   LEU  10           HG       LEU  10  -0.957  -3.425  -0.388
   73   HD11  LEU  10          HD11      LEU  10   1.676  -1.998  -0.772
   74   HD12  LEU  10          HD12      LEU  10   0.733  -2.053   0.716
   75   HD13  LEU  10          HD13      LEU  10   0.084  -1.239  -0.704
   76   HD21  LEU  10          HD21      LEU  10   0.889  -3.373  -2.768
   77   HD22  LEU  10          HD22      LEU  10  -0.663  -2.545  -2.650
   78   HD23  LEU  10          HD23      LEU  10  -0.598  -4.306  -2.623
   79    H    ARG  11           H        ARG  11  -0.260  -6.888   1.313
   80    HA   ARG  11           HA       ARG  11  -2.796  -6.095   2.051
   81    HB2  ARG  11           HB2      ARG  11  -2.334  -8.323   1.228
   82    HB3  ARG  11           HB3      ARG  11  -1.356  -8.680   2.641
   83    HG2  ARG  11           HG2      ARG  11  -3.334  -8.545   4.046
   84    HG3  ARG  11           HG3      ARG  11  -4.315  -8.159   2.629
   85    HD2  ARG  11           HD2      ARG  11  -3.907 -10.283   1.667
   86    HD3  ARG  11           HD3      ARG  11  -2.660 -10.654   2.862
   87    HE   ARG  11           HE       ARG  11  -5.474 -10.258   3.627
   88   HH11  ARG  11          HH11      ARG  11  -2.714 -12.408   3.339
   89   HH12  ARG  11          HH12      ARG  11  -3.130 -13.417   4.648
   90   HH21  ARG  11          HH21      ARG  11  -6.127 -11.580   5.377
   91   HH22  ARG  11          HH22      ARG  11  -5.173 -12.931   5.857
   92    H    ARG  12           H        ARG  12  -0.087  -7.015   4.153
   93    HA   ARG  12           HA       ARG  12  -1.274  -6.818   6.669
   94    HB2  ARG  12           HB2      ARG  12   1.518  -6.070   5.798
   95    HB3  ARG  12           HB3      ARG  12   1.017  -6.142   7.482
   96    HG2  ARG  12           HG2      ARG  12   0.665  -8.475   7.362
   97    HG3  ARG  12           HG3      ARG  12   0.811  -8.467   5.603
   98    HD2  ARG  12           HD2      ARG  12   2.831  -9.327   6.660
   99    HD3  ARG  12           HD3      ARG  12   3.150  -7.832   5.789
  100    HE   ARG  12           HE       ARG  12   2.621  -7.179   8.451
  101   HH11  ARG  12          HH11      ARG  12   5.143  -8.876   6.596
  102   HH12  ARG  12          HH12      ARG  12   6.361  -8.510   7.713
  103   HH21  ARG  12          HH21      ARG  12   4.252  -6.730   9.928
  104   HH22  ARG  12          HH22      ARG  12   5.864  -7.283   9.697
  105    H    ALA  13           H        ALA  13   0.050  -4.275   4.647
  106    HA   ALA  13           HA       ALA  13  -0.371  -2.145   6.480
  107    HB1  ALA  13           HB1      ALA  13   1.158  -1.973   4.567
  108    HB2  ALA  13           HB2      ALA  13  -0.063  -0.700   4.550
  109    HB3  ALA  13           HB3      ALA  13  -0.216  -2.084   3.469
  110    H    LEU  14           H        LEU  14  -2.249  -3.266   3.681
  111    HA   LEU  14           HA       LEU  14  -4.304  -1.404   4.120
  112    HB2  LEU  14           HB2      LEU  14  -4.193  -3.847   2.394
  113    HB3  LEU  14           HB3      LEU  14  -5.702  -3.001   2.628
  114    HG   LEU  14           HG       LEU  14  -4.589  -0.935   1.722
  115   HD11  LEU  14          HD11      LEU  14  -2.599  -1.194   0.365
  116   HD12  LEU  14          HD12      LEU  14  -2.438  -2.860   0.919
  117   HD13  LEU  14          HD13      LEU  14  -2.278  -1.530   2.066
  118   HD21  LEU  14          HD21      LEU  14  -4.778  -1.648  -0.606
  119   HD22  LEU  14          HD22      LEU  14  -6.093  -2.272   0.389
  120   HD23  LEU  14          HD23      LEU  14  -4.765  -3.331  -0.085
  121    H    VAL  15           H        VAL  15  -3.955  -4.659   5.355
  122    HA   VAL  15           HA       VAL  15  -6.560  -4.996   6.340
  123    HB   VAL  15           HB       VAL  15  -3.898  -5.999   7.443
  124   HG11  VAL  15          HG11      VAL  15  -5.523  -5.915   9.285
  125   HG12  VAL  15          HG12      VAL  15  -5.174  -7.577   8.818
  126   HG13  VAL  15          HG13      VAL  15  -6.681  -6.814   8.305
  127   HG21  VAL  15          HG21      VAL  15  -4.548  -6.897   5.271
  128   HG22  VAL  15          HG22      VAL  15  -6.111  -7.379   5.931
  129   HG23  VAL  15          HG23      VAL  15  -4.635  -8.143   6.518
  130    H    GLU  16           H        GLU  16  -3.745  -3.520   7.898
  131    HA   GLU  16           HA       GLU  16  -5.268  -2.794  10.194
  132    HB2  GLU  16           HB2      GLU  16  -2.485  -1.931   9.411
  133    HB3  GLU  16           HB3      GLU  16  -3.228  -1.681  10.987
  134    HG2  GLU  16           HG2      GLU  16  -3.405  -4.096  11.291
  135    HG3  GLU  16           HG3      GLU  16  -2.669  -4.346   9.713
  136    H    SER  17           H        SER  17  -4.540  -1.116   7.165
  137    HA   SER  17           HA       SER  17  -5.357   1.374   8.314
  138    HB2  SER  17           HB2      SER  17  -5.258   2.150   5.844
  139    HB3  SER  17           HB3      SER  17  -3.752   1.700   6.645
  140    HG   SER  17           HG       SER  17  -5.244   0.313   4.701
  141    H    ALA  18           H        ALA  18  -6.891  -1.177   6.463
  142    HA   ALA  18           HA       ALA  18  -9.348   0.233   6.084
  143    HB1  ALA  18           HB1      ALA  18  -8.803  -2.759   6.115
  144    HB2  ALA  18           HB2      ALA  18  -8.766  -1.730   4.690
  145    HB3  ALA  18           HB3      ALA  18 -10.285  -1.999   5.541
  146    H    GLY  19           H        GLY  19  -7.988  -1.932   8.467
  147    HA2  GLY  19           HA2      GLY  19  -8.366  -1.705  10.767
  148    HA3  GLY  19           HA3      GLY  19  -9.874  -0.876  10.418
  149    H    GLU  20           H        GLU  20 -11.130  -2.564   8.791
  150    HA   GLU  20           HA       GLU  20 -12.118  -4.551  10.631
  151    HB2  GLU  20           HB2      GLU  20 -12.886  -4.038   7.766
  152    HB3  GLU  20           HB3      GLU  20 -13.837  -4.869   8.991
  153    HG2  GLU  20           HG2      GLU  20 -14.053  -2.811  10.243
  154    HG3  GLU  20           HG3      GLU  20 -13.058  -1.970   9.053
  155    H    THR  21           H        THR  21  -9.554  -5.240  10.049
  156    HA   THR  21           HA       THR  21  -8.090  -6.729   9.128
  157    HB   THR  21           HB       THR  21  -8.907  -9.094   9.009
  158    HG1  THR  21           HG1      THR  21 -11.288  -7.893   8.675
  159   HG21  THR  21          HG21      THR  21  -8.291  -8.179  11.174
  160   HG22  THR  21          HG22      THR  21  -9.631  -9.313  11.341
  161   HG23  THR  21          HG23      THR  21  -9.931  -7.576  11.405
  162    H    ASP  22           H        ASP  22  -9.253  -8.831   7.182
  163    HA   ASP  22           HA       ASP  22  -8.766  -7.280   4.810
  164    HB2  ASP  22           HB2      ASP  22  -9.962 -10.064   5.047
  165    HB3  ASP  22           HB3      ASP  22  -9.505  -9.266   3.552
  166    H    GLY  23           H        GLY  23 -10.278  -5.648   5.098
  167    HA2  GLY  23           HA2      GLY  23 -13.043  -5.915   5.469
  168    HA3  GLY  23           HA3      GLY  23 -12.270  -4.537   4.691
  169    H    THR  24           H        THR  24 -11.370  -5.250   2.414
  170    HA   THR  24           HA       THR  24 -13.568  -6.487   1.039
  171    HB   THR  24           HB       THR  24 -12.078  -5.504  -0.951
  172    HG1  THR  24           HG1      THR  24 -11.338  -3.369   0.291
  173   HG21  THR  24          HG21      THR  24 -13.728  -3.808   0.932
  174   HG22  THR  24          HG22      THR  24 -14.361  -4.799  -0.381
  175   HG23  THR  24          HG23      THR  24 -13.350  -3.398  -0.741
  176    H    ASP  25           H        ASP  25 -12.078  -7.471  -1.248
  177    HA   ASP  25           HA       ASP  25 -10.947  -9.680   0.206
  178    HB2  ASP  25           HB2      ASP  25 -11.028 -11.115  -1.783
  179    HB3  ASP  25           HB3      ASP  25 -12.583 -10.392  -1.452
  180    H    LEU  26           H        LEU  26  -9.233  -8.970   0.975
  181    HA   LEU  26           HA       LEU  26  -6.999  -8.206  -0.729
  182    HB2  LEU  26           HB2      LEU  26  -7.410  -8.250   2.237
  183    HB3  LEU  26           HB3      LEU  26  -5.802  -8.155   1.574
  184    HG   LEU  26           HG       LEU  26  -6.325  -5.990   0.557
  185   HD11  LEU  26          HD11      LEU  26  -9.036  -6.281   1.835
  186   HD12  LEU  26          HD12      LEU  26  -8.695  -6.325   0.104
  187   HD13  LEU  26          HD13      LEU  26  -8.412  -4.846   1.019
  188   HD21  LEU  26          HD21      LEU  26  -5.451  -6.069   2.801
  189   HD22  LEU  26          HD22      LEU  26  -7.086  -6.182   3.454
  190   HD23  LEU  26          HD23      LEU  26  -6.569  -4.719   2.615
  191    H    SER  27           H        SER  27  -8.220 -10.949   0.914
  192    HA   SER  27           HA       SER  27  -5.668 -12.287   0.944
  193    HB2  SER  27           HB2      SER  27  -8.403 -13.482   1.407
  194    HB3  SER  27           HB3      SER  27  -6.829 -14.173   1.828
  195    HG   SER  27           HG       SER  27  -7.169 -11.684   2.920
  196    H    GLY  28           H        GLY  28  -5.065 -12.215  -1.164
  197    HA2  GLY  28           HA2      GLY  28  -5.160 -14.202  -2.829
  198    HA3  GLY  28           HA3      GLY  28  -6.720 -13.452  -3.188
  199    H    ASP  29           H        ASP  29  -6.207 -12.695  -5.194
  200    HA   ASP  29           HA       ASP  29  -3.874 -10.967  -5.383
  201    HB2  ASP  29           HB2      ASP  29  -4.070 -12.518  -7.234
  202    HB3  ASP  29           HB3      ASP  29  -5.700 -11.945  -7.582
  203    H    PHE  30           H        PHE  30  -4.708  -9.425  -4.031
  204    HA   PHE  30           HA       PHE  30  -6.930  -7.871  -5.028
  205    HB2  PHE  30           HB2      PHE  30  -6.845  -6.592  -3.008
  206    HB3  PHE  30           HB3      PHE  30  -6.513  -8.249  -2.559
  207    HD1  PHE  30           HD2      PHE  30  -4.093  -8.925  -2.206
  208    HD2  PHE  30           HD1      PHE  30  -5.363  -4.877  -2.409
  209    HE1  PHE  30           HE2      PHE  30  -2.035  -8.228  -1.060
  210    HE2  PHE  30           HE1      PHE  30  -3.303  -4.178  -1.272
  211    HZ   PHE  30           HZ       PHE  30  -1.685  -5.776  -0.562
  212    H    LEU  31           H        LEU  31  -3.691  -8.050  -5.664
  213    HA   LEU  31           HA       LEU  31  -2.783  -5.419  -5.849
  214    HB2  LEU  31           HB2      LEU  31  -1.969  -7.582  -7.794
  215    HB3  LEU  31           HB3      LEU  31  -1.103  -6.151  -7.355
  216    HG   LEU  31           HG       LEU  31  -1.601  -8.472  -5.509
  217   HD11  LEU  31          HD11      LEU  31   0.904  -7.518  -6.873
  218   HD12  LEU  31          HD12      LEU  31   0.000  -8.984  -7.251
  219   HD13  LEU  31          HD13      LEU  31   0.808  -8.822  -5.690
  220   HD21  LEU  31          HD21      LEU  31  -0.088  -7.321  -3.972
  221   HD22  LEU  31          HD22      LEU  31  -1.532  -6.356  -4.279
  222   HD23  LEU  31          HD23      LEU  31  -0.010  -5.939  -5.068
  223    H    ASP  32           H        ASP  32  -4.877  -7.149  -7.972
  224    HA   ASP  32           HA       ASP  32  -4.664  -5.136 -10.084
  225    HB2  ASP  32           HB2      ASP  32  -4.696  -7.542 -10.641
  226    HB3  ASP  32           HB3      ASP  32  -6.301  -7.676  -9.942
  227    H    LEU  33           H        LEU  33  -6.537  -5.813  -7.351
  228    HA   LEU  33           HA       LEU  33  -9.031  -4.735  -8.320
  229    HB2  LEU  33           HB2      LEU  33  -8.155  -5.362  -5.504
  230    HB3  LEU  33           HB3      LEU  33  -9.795  -5.084  -6.054
  231    HG   LEU  33           HG       LEU  33  -8.051  -7.438  -6.742
  232   HD11  LEU  33          HD11      LEU  33  -8.881  -7.474  -4.487
  233   HD12  LEU  33          HD12      LEU  33  -9.699  -8.692  -5.473
  234   HD13  LEU  33          HD13      LEU  33 -10.519  -7.179  -5.072
  235   HD21  LEU  33          HD21      LEU  33 -10.892  -6.836  -7.571
  236   HD22  LEU  33          HD22      LEU  33 -10.027  -8.343  -7.870
  237   HD23  LEU  33          HD23      LEU  33  -9.483  -6.849  -8.633
  238    H    ARG  34           H        ARG  34  -9.454  -2.655  -8.285
  239    HA   ARG  34           HA       ARG  34  -7.262  -0.901  -7.707
  240    HB2  ARG  34           HB2      ARG  34 -10.026  -0.104  -8.565
  241    HB3  ARG  34           HB3      ARG  34  -8.536   0.811  -8.743
  242    HG2  ARG  34           HG2      ARG  34  -7.714  -1.054 -10.223
  243    HG3  ARG  34           HG3      ARG  34  -9.365  -1.675 -10.199
  244    HD2  ARG  34           HD2      ARG  34  -8.399   0.972 -11.226
  245    HD3  ARG  34           HD3      ARG  34  -9.100  -0.348 -12.150
  246    HE   ARG  34           HE       ARG  34 -10.982   0.455 -10.259
  247   HH11  ARG  34          HH11      ARG  34  -9.491   1.612 -13.209
  248   HH12  ARG  34          HH12      ARG  34 -10.629   2.835 -13.523
  249   HH21  ARG  34          HH21      ARG  34 -12.572   2.028 -10.642
  250   HH22  ARG  34          HH22      ARG  34 -12.455   3.098 -11.973
  251    H    PHE  35           H        PHE  35  -7.110   0.708  -6.259
  252    HA   PHE  35           HA       PHE  35  -8.075   0.392  -3.720
  253    HB2  PHE  35           HB2      PHE  35  -7.005   2.859  -5.066
  254    HB3  PHE  35           HB3      PHE  35  -7.446   2.834  -3.364
  255    HD1  PHE  35           HD2      PHE  35  -6.306   1.044  -1.899
  256    HD2  PHE  35           HD1      PHE  35  -4.877   2.223  -5.722
  257    HE1  PHE  35           HE2      PHE  35  -4.073   0.196  -1.317
  258    HE2  PHE  35           HE1      PHE  35  -2.642   1.382  -5.147
  259    HZ   PHE  35           HZ       PHE  35  -2.234   0.372  -2.942
  260    H    GLU  36           H        GLU  36  -9.423   2.531  -6.208
  261    HA   GLU  36           HA       GLU  36 -11.414   3.762  -4.713
  262    HB2  GLU  36           HB2      GLU  36 -11.608   2.875  -7.595
  263    HB3  GLU  36           HB3      GLU  36 -12.690   4.014  -6.813
  264    HG2  GLU  36           HG2      GLU  36 -10.756   5.517  -6.450
  265    HG3  GLU  36           HG3      GLU  36  -9.758   4.383  -7.361
  266    H    ASP  37           H        ASP  37 -11.358   0.540  -6.055
  267    HA   ASP  37           HA       ASP  37 -14.188   0.133  -5.555
  268    HB2  ASP  37           HB2      ASP  37 -13.007  -0.793  -7.580
  269    HB3  ASP  37           HB3      ASP  37 -12.176  -1.906  -6.497
  270    H    ILE  38           H        ILE  38 -11.148  -0.552  -4.028
  271    HA   ILE  38           HA       ILE  38 -12.424  -2.507  -2.290
  272    HB   ILE  38           HB       ILE  38 -10.197  -2.940  -1.304
  273   HG12  ILE  38          HG12      ILE  38  -9.212  -0.972  -3.388
  274   HG13  ILE  38          HG13      ILE  38  -9.206  -0.715  -1.652
  275   HG21  ILE  38          HG21      ILE  38 -10.323  -3.139  -4.305
  276   HG22  ILE  38          HG22      ILE  38 -10.975  -4.294  -3.137
  277   HG23  ILE  38          HG23      ILE  38  -9.230  -4.046  -3.255
  278   HD11  ILE  38          HD11      ILE  38  -7.003  -1.285  -2.460
  279   HD12  ILE  38          HD12      ILE  38  -7.616  -2.789  -3.147
  280   HD13  ILE  38          HD13      ILE  38  -7.610  -2.556  -1.398
  281    H    GLY  39           H        GLY  39 -12.574   0.577  -2.227
  282    HA2  GLY  39           HA2      GLY  39 -13.494   1.835  -0.475
  283    HA3  GLY  39           HA3      GLY  39 -12.932   0.621   0.658
  284    H    TYR  40           H        TYR  40 -10.795   2.105  -1.703
  285    HA   TYR  40           HA       TYR  40  -9.580   3.597   0.480
  286    HB2  TYR  40           HB2      TYR  40  -8.323   1.914  -1.642
  287    HB3  TYR  40           HB3      TYR  40  -7.432   3.301  -1.028
  288    HD1  TYR  40           HD1      TYR  40  -9.308   0.305   0.225
  289    HD2  TYR  40           HD2      TYR  40  -6.112   3.035   0.804
  290    HE1  TYR  40           HE1      TYR  40  -8.593  -0.962   2.197
  291    HE2  TYR  40           HE2      TYR  40  -5.383   1.786   2.768
  292    HH   TYR  40           HH       TYR  40  -6.662  -1.269   3.598
  293    H    ASP  41           H        ASP  41  -9.864   5.606   0.307
  294    HA   ASP  41           HA       ASP  41 -10.413   6.880  -2.274
  295    HB2  ASP  41           HB2      ASP  41 -10.505   7.900   0.533
  296    HB3  ASP  41           HB3      ASP  41 -10.997   8.832  -0.875
  297    H    SER  42           H        SER  42  -8.389   7.258   0.586
  298    HA   SER  42           HA       SER  42  -6.070   8.231  -0.633
  299    HB2  SER  42           HB2      SER  42  -7.336  10.114  -1.377
  300    HB3  SER  42           HB3      SER  42  -8.025  10.386   0.232
  301    H    LEU  43           H        LEU  43  -8.221   8.913   2.171
  302    HA   LEU  43           HA       LEU  43  -6.097   9.544   3.901
  303    HB2  LEU  43           HB2      LEU  43  -8.880   8.602   4.577
  304    HB3  LEU  43           HB3      LEU  43  -7.747   9.282   5.726
  305    HG   LEU  43           HG       LEU  43  -8.944  10.738   3.366
  306   HD11  LEU  43          HD11      LEU  43 -10.573  10.308   5.120
  307   HD12  LEU  43          HD12      LEU  43 -10.151  12.020   5.056
  308   HD13  LEU  43          HD13      LEU  43  -9.476  10.991   6.319
  309   HD21  LEU  43          HD21      LEU  43  -7.150  11.725   5.584
  310   HD22  LEU  43          HD22      LEU  43  -7.905  12.726   4.345
  311   HD23  LEU  43          HD23      LEU  43  -6.693  11.525   3.892
  312    H    ALA  44           H        ALA  44  -7.976   6.547   3.619
  313    HA   ALA  44           HA       ALA  44  -6.411   5.100   5.478
  314    HB1  ALA  44           HB1      ALA  44  -8.062   4.050   3.178
  315    HB2  ALA  44           HB2      ALA  44  -8.661   4.388   4.802
  316    HB3  ALA  44           HB3      ALA  44  -7.476   3.106   4.548
  317    H    LEU  45           H        LEU  45  -6.140   5.702   2.084
  318    HA   LEU  45           HA       LEU  45  -4.220   3.696   1.510
  319    HB2  LEU  45           HB2      LEU  45  -5.839   4.933  -0.029
  320    HB3  LEU  45           HB3      LEU  45  -4.701   6.235  -0.106
  321    HG   LEU  45           HG       LEU  45  -4.349   3.392  -1.095
  322   HD11  LEU  45          HD11      LEU  45  -4.247   4.416  -3.300
  323   HD12  LEU  45          HD12      LEU  45  -4.577   5.988  -2.574
  324   HD13  LEU  45          HD13      LEU  45  -5.785   4.702  -2.485
  325   HD21  LEU  45          HD21      LEU  45  -2.177   4.217  -0.304
  326   HD22  LEU  45          HD22      LEU  45  -2.364   5.664  -1.298
  327   HD23  LEU  45          HD23      LEU  45  -2.204   4.082  -2.062
  328    H    MET  46           H        MET  46  -3.988   7.126   2.336
  329    HA   MET  46           HA       MET  46  -1.146   7.275   2.173
  330    HB2  MET  46           HB2      MET  46  -3.139   9.032   3.619
  331    HB3  MET  46           HB3      MET  46  -1.427   9.400   3.468
  332    HG2  MET  46           HG2      MET  46  -1.634   9.499   1.068
  333    HG3  MET  46           HG3      MET  46  -3.331   9.047   1.178
  334    HE1  MET  46           HE1      MET  46  -1.381  11.516   3.565
  335    HE2  MET  46           HE2      MET  46  -1.696  13.066   2.785
  336    HE3  MET  46           HE3      MET  46  -0.691  11.861   1.979
  337    H    GLU  47           H        GLU  47  -3.389   6.266   4.564
  338    HA   GLU  47           HA       GLU  47  -1.722   6.302   6.861
  339    HB2  GLU  47           HB2      GLU  47  -4.271   6.017   6.495
  340    HB3  GLU  47           HB3      GLU  47  -3.925   4.320   6.276
  341    HG2  GLU  47           HG2      GLU  47  -3.438   5.931   8.788
  342    HG3  GLU  47           HG3      GLU  47  -4.708   4.748   8.538
  343    H    THR  48           H        THR  48  -2.554   3.897   4.385
  344    HA   THR  48           HA       THR  48  -0.965   1.728   5.066
  345    HB   THR  48           HB       THR  48  -1.653   2.870   2.346
  346    HG1  THR  48           HG1      THR  48  -3.134   1.267   4.151
  347   HG21  THR  48          HG21      THR  48  -0.885   0.051   3.109
  348   HG22  THR  48          HG22      THR  48   0.093   1.182   2.170
  349   HG23  THR  48          HG23      THR  48  -1.426   0.571   1.513
  350    H    ALA  49           H        ALA  49  -0.287   4.376   2.791
  351    HA   ALA  49           HA       ALA  49   2.306   3.712   2.085
  352    HB1  ALA  49           HB1      ALA  49   2.506   5.958   1.210
  353    HB2  ALA  49           HB2      ALA  49   1.117   6.477   2.164
  354    HB3  ALA  49           HB3      ALA  49   0.904   5.306   0.862
  355    H    ALA  50           H        ALA  50   1.293   6.049   4.608
  356    HA   ALA  50           HA       ALA  50   3.827   6.960   5.327
  357    HB1  ALA  50           HB1      ALA  50   2.826   7.706   7.401
  358    HB2  ALA  50           HB2      ALA  50   1.438   6.651   7.131
  359    HB3  ALA  50           HB3      ALA  50   1.737   8.010   6.048
  360    H    ARG  51           H        ARG  51   2.045   4.187   6.510
  361    HA   ARG  51           HA       ARG  51   3.860   3.448   8.540
  362    HB2  ARG  51           HB2      ARG  51   1.716   1.990   7.056
  363    HB3  ARG  51           HB3      ARG  51   2.726   1.177   8.247
  364    HG2  ARG  51           HG2      ARG  51   1.913   2.471   9.997
  365    HG3  ARG  51           HG3      ARG  51   1.268   3.700   8.904
  366    HD2  ARG  51           HD2      ARG  51  -0.481   2.249   9.897
  367    HD3  ARG  51           HD3      ARG  51  -0.425   2.215   8.139
  368    HE   ARG  51           HE       ARG  51   1.037   0.122   9.428
  369   HH11  ARG  51          HH11      ARG  51  -2.111   1.254   8.255
  370   HH12  ARG  51          HH12      ARG  51  -2.608  -0.275   7.693
  371   HH21  ARG  51          HH21      ARG  51   0.318  -2.024   8.744
  372   HH22  ARG  51          HH22      ARG  51  -1.214  -2.221   8.067
  373    H    LEU  52           H        LEU  52   3.530   2.386   5.165
  374    HA   LEU  52           HA       LEU  52   5.672   0.531   5.372
  375    HB2  LEU  52           HB2      LEU  52   4.738   1.823   2.777
  376    HB3  LEU  52           HB3      LEU  52   5.584   0.292   3.001
  377    HG   LEU  52           HG       LEU  52   2.764   0.795   3.884
  378   HD11  LEU  52          HD11      LEU  52   3.867  -0.740   1.544
  379   HD12  LEU  52          HD12      LEU  52   2.962   0.773   1.463
  380   HD13  LEU  52          HD13      LEU  52   2.178  -0.698   2.045
  381   HD21  LEU  52          HD21      LEU  52   4.443  -1.713   3.826
  382   HD22  LEU  52          HD22      LEU  52   2.733  -1.626   4.251
  383   HD23  LEU  52          HD23      LEU  52   3.939  -0.840   5.271
  384    H    GLU  53           H        GLU  53   5.486   3.936   4.517
  385    HA   GLU  53           HA       GLU  53   8.116   4.387   3.702
  386    HB2  GLU  53           HB2      GLU  53   6.320   6.198   5.324
  387    HB3  GLU  53           HB3      GLU  53   7.858   6.694   4.645
  388    HG2  GLU  53           HG2      GLU  53   6.956   6.231   2.397
  389    HG3  GLU  53           HG3      GLU  53   5.399   5.858   3.141
  390    H    SER  54           H        SER  54   6.797   4.778   6.955
  391    HA   SER  54           HA       SER  54   9.276   5.344   8.122
  392    HB2  SER  54           HB2      SER  54   7.978   4.870  10.293
  393    HB3  SER  54           HB3      SER  54   7.399   6.172   9.252
  394    HG   SER  54           HG       SER  54   5.711   4.944   8.614
  395    H    ARG  55           H        ARG  55   7.454   2.321   7.954
  396    HA   ARG  55           HA       ARG  55   9.210   0.824   9.556
  397    HB2  ARG  55           HB2      ARG  55   6.954   0.087   9.251
  398    HB3  ARG  55           HB3      ARG  55   7.180  -0.057   7.516
  399    HG2  ARG  55           HG2      ARG  55   8.690  -1.905   7.821
  400    HG3  ARG  55           HG3      ARG  55   8.632  -1.707   9.572
  401    HD2  ARG  55           HD2      ARG  55   6.281  -2.385   7.818
  402    HD3  ARG  55           HD3      ARG  55   7.207  -3.549   8.762
  403    HE   ARG  55           HE       ARG  55   5.772  -1.307  10.029
  404   HH11  ARG  55          HH11      ARG  55   6.442  -4.794   9.822
  405   HH12  ARG  55          HH12      ARG  55   5.585  -5.144  11.266
  406   HH21  ARG  55          HH21      ARG  55   4.633  -1.792  11.876
  407   HH22  ARG  55          HH22      ARG  55   4.524  -3.379  12.507
  408    H    TYR  56           H        TYR  56   9.100   1.169   5.999
  409    HA   TYR  56           HA       TYR  56  11.309  -0.729   5.873
  410    HB2  TYR  56           HB2      TYR  56   9.572   0.369   3.663
  411    HB3  TYR  56           HB3      TYR  56  10.889  -0.777   3.422
  412    HD1  TYR  56           HD2      TYR  56  10.715  -3.061   4.490
  413    HD2  TYR  56           HD1      TYR  56   7.440  -0.362   4.365
  414    HE1  TYR  56           HE2      TYR  56   9.178  -4.924   4.924
  415    HE2  TYR  56           HE1      TYR  56   5.887  -2.219   4.797
  416    HH   TYR  56           HH       TYR  56   6.918  -5.259   5.862
  417    H    GLY  57           H        GLY  57  10.795   2.658   5.577
  418    HA2  GLY  57           HA2      GLY  57  12.604   4.162   5.659
  419    HA3  GLY  57           HA3      GLY  57  13.639   2.924   4.959
  420    H    VAL  58           H        VAL  58  10.529   3.566   3.636
  421    HA   VAL  58           HA       VAL  58  11.826   4.666   1.257
  422    HB   VAL  58           HB       VAL  58   9.827   4.103  -0.045
  423   HG11  VAL  58          HG11      VAL  58  11.493   2.388   0.051
  424   HG12  VAL  58          HG12      VAL  58   9.873   1.668   0.078
  425   HG13  VAL  58          HG13      VAL  58  10.814   1.773   1.563
  426   HG21  VAL  58          HG21      VAL  58   8.000   2.794   0.883
  427   HG22  VAL  58          HG22      VAL  58   8.121   4.378   1.653
  428   HG23  VAL  58          HG23      VAL  58   8.709   2.934   2.492
  429    H    SER  59           H        SER  59  10.210   6.203   0.012
  430    HA   SER  59           HA       SER  59   8.743   7.877   1.879
  431    HB2  SER  59           HB2      SER  59  10.805   8.884  -0.101
  432    HB3  SER  59           HB3      SER  59   9.787   9.887   0.938
  433    HG   SER  59           HG       SER  59  11.107   7.949   2.286
  434    H    ILE  60           H        ILE  60   6.789   8.154   1.094
  435    HA   ILE  60           HA       ILE  60   6.354   7.941  -1.807
  436    HB   ILE  60           HB       ILE  60   4.487   7.050   0.418
  437   HG12  ILE  60          HG12      ILE  60   6.305   5.455   0.053
  438   HG13  ILE  60          HG13      ILE  60   4.777   4.785  -0.502
  439   HG21  ILE  60          HG21      ILE  60   2.985   6.243  -1.354
  440   HG22  ILE  60          HG22      ILE  60   4.041   6.972  -2.567
  441   HG23  ILE  60          HG23      ILE  60   3.198   7.994  -1.405
  442   HD11  ILE  60          HD11      ILE  60   6.585   4.248  -2.038
  443   HD12  ILE  60          HD12      ILE  60   6.936   5.964  -2.247
  444   HD13  ILE  60          HD13      ILE  60   5.403   5.303  -2.818
  445    HA   PRO  61           HA       PRO  61   5.085  12.230  -1.135
  446    HB2  PRO  61           HB2      PRO  61   4.415  11.890  -4.012
  447    HB3  PRO  61           HB3      PRO  61   5.387  13.140  -3.226
  448    HG2  PRO  61           HG2      PRO  61   6.561  11.240  -4.657
  449    HG3  PRO  61           HG3      PRO  61   7.281  11.794  -3.134
  450    HD2  PRO  61           HD2      PRO  61   5.702   9.313  -3.690
  451    HD3  PRO  61           HD3      PRO  61   7.158   9.522  -2.694
  452    H    ASP  62           H        ASP  62   3.152  13.163  -0.811
  453    HA   ASP  62           HA       ASP  62   0.804  11.701  -0.500
  454    HB2  ASP  62           HB2      ASP  62  -0.363  13.812  -0.074
  455    HB3  ASP  62           HB3      ASP  62   1.207  13.806   0.711
  456    H    ASP  63           H        ASP  63   1.877  13.474  -3.309
  457    HA   ASP  63           HA       ASP  63  -0.637  13.502  -4.691
  458    HB2  ASP  63           HB2      ASP  63   2.162  13.575  -5.839
  459    HB3  ASP  63           HB3      ASP  63   0.702  13.793  -6.782
  460    H    VAL  64           H        VAL  64   1.899  11.227  -4.339
  461    HA   VAL  64           HA       VAL  64   1.013   9.489  -6.467
  462    HB   VAL  64           HB       VAL  64   2.830   8.896  -4.144
  463   HG11  VAL  64          HG11      VAL  64   2.457   7.629  -6.848
  464   HG12  VAL  64          HG12      VAL  64   1.991   6.925  -5.302
  465   HG13  VAL  64          HG13      VAL  64   3.708   7.135  -5.699
  466   HG21  VAL  64          HG21      VAL  64   3.709  10.797  -5.387
  467   HG22  VAL  64          HG22      VAL  64   3.547   9.906  -6.902
  468   HG23  VAL  64          HG23      VAL  64   4.706   9.374  -5.685
  469    H    ALA  65           H        ALA  65   1.030   9.466  -2.949
  470    HA   ALA  65           HA       ALA  65  -0.218   7.040  -2.488
  471    HB1  ALA  65           HB1      ALA  65  -0.460   9.541  -0.837
  472    HB2  ALA  65           HB2      ALA  65   0.860   8.373  -0.734
  473    HB3  ALA  65           HB3      ALA  65  -0.785   7.901  -0.290
  474    H    GLY  66           H        GLY  66  -1.759  10.253  -2.794
  475    HA2  GLY  66           HA2      GLY  66  -4.341   8.977  -2.596
  476    HA3  GLY  66           HA3      GLY  66  -4.024  10.698  -2.732
  477    H    ARG  67           H        ARG  67  -2.509   8.597  -5.072
  478    HA   ARG  67           HA       ARG  67  -4.710   9.126  -6.946
  479    HB2  ARG  67           HB2      ARG  67  -1.845   9.767  -7.468
  480    HB3  ARG  67           HB3      ARG  67  -3.034   9.588  -8.739
  481    HG2  ARG  67           HG2      ARG  67  -4.324  11.437  -7.601
  482    HG3  ARG  67           HG3      ARG  67  -2.879  11.688  -6.605
  483    HD2  ARG  67           HD2      ARG  67  -2.775  13.144  -8.543
  484    HD3  ARG  67           HD3      ARG  67  -1.546  11.860  -8.632
  485    HE   ARG  67           HE       ARG  67  -4.086  11.333  -9.923
  486   HH11  ARG  67          HH11      ARG  67  -0.803  12.536 -10.453
  487   HH12  ARG  67          HH12      ARG  67  -0.666  11.846 -12.018
  488   HH21  ARG  67          HH21      ARG  67  -3.901  10.465 -12.081
  489   HH22  ARG  67          HH22      ARG  67  -2.508  10.775 -13.011
  490    H    VAL  68           H        VAL  68  -2.619   6.800  -5.748
  491    HA   VAL  68           HA       VAL  68  -2.191   5.531  -8.252
  492    HB   VAL  68           HB       VAL  68  -1.379   3.525  -6.835
  493   HG11  VAL  68          HG11      VAL  68   0.105   5.106  -7.932
  494   HG12  VAL  68          HG12      VAL  68   0.745   4.664  -6.350
  495   HG13  VAL  68          HG13      VAL  68  -0.058   6.222  -6.578
  496   HG21  VAL  68          HG21      VAL  68  -0.739   4.062  -4.546
  497   HG22  VAL  68          HG22      VAL  68  -2.501   4.149  -4.720
  498   HG23  VAL  68          HG23      VAL  68  -1.525   5.629  -4.682
  499    H    ASP  69           H        ASP  69  -3.119   4.026  -9.229
  500    HA   ASP  69           HA       ASP  69  -5.923   3.661  -8.697
  501    HB2  ASP  69           HB2      ASP  69  -5.188   4.203 -10.924
  502    HB3  ASP  69           HB3      ASP  69  -4.130   2.807 -10.962
  503    H    THR  70           H        THR  70  -3.306   1.308  -9.430
  504    HA   THR  70           HA       THR  70  -4.939  -0.616  -7.978
  505    HB   THR  70           HB       THR  70  -3.563  -2.354  -9.226
  506    HG1  THR  70           HG1      THR  70  -2.624  -1.584 -11.188
  507   HG21  THR  70          HG21      THR  70  -4.911  -2.138 -11.280
  508   HG22  THR  70          HG22      THR  70  -5.309  -0.480 -10.815
  509   HG23  THR  70          HG23      THR  70  -5.870  -1.831  -9.827
  510    HA   PRO  71           HA       PRO  71  -1.953  -1.008  -4.725
  511    HB2  PRO  71           HB2      PRO  71  -2.510  -3.923  -5.117
  512    HB3  PRO  71           HB3      PRO  71  -2.491  -2.983  -3.619
  513    HG2  PRO  71           HG2      PRO  71  -4.791  -3.648  -4.690
  514    HG3  PRO  71           HG3      PRO  71  -4.558  -2.001  -4.066
  515    HD2  PRO  71           HD2      PRO  71  -4.537  -2.979  -6.892
  516    HD3  PRO  71           HD3      PRO  71  -5.230  -1.487  -6.223
  517    H    ARG  72           H        ARG  72  -1.837  -3.176  -7.506
  518    HA   ARG  72           HA       ARG  72   0.732  -4.169  -7.315
  519    HB2  ARG  72           HB2      ARG  72  -1.154  -4.670  -9.031
  520    HB3  ARG  72           HB3      ARG  72  -0.438  -3.369  -9.972
  521    HG2  ARG  72           HG2      ARG  72   1.711  -4.590  -9.964
  522    HG3  ARG  72           HG3      ARG  72   0.921  -5.914  -9.107
  523    HD2  ARG  72           HD2      ARG  72   0.977  -6.489 -11.423
  524    HD3  ARG  72           HD3      ARG  72  -0.690  -6.069 -11.028
  525    HE   ARG  72           HE       ARG  72   0.312  -3.732 -11.865
  526   HH11  ARG  72          HH11      ARG  72   0.112  -6.951 -13.394
  527   HH12  ARG  72          HH12      ARG  72   0.396  -6.357 -14.957
  528   HH21  ARG  72          HH21      ARG  72   0.631  -2.949 -14.068
  529   HH22  ARG  72          HH22      ARG  72   0.666  -4.083 -15.352
  530    H    GLU  73           H        GLU  73  -0.356  -1.000  -8.474
  531    HA   GLU  73           HA       GLU  73   2.048   0.011  -9.579
  532    HB2  GLU  73           HB2      GLU  73  -0.244   1.431  -8.194
  533    HB3  GLU  73           HB3      GLU  73   1.059   2.258  -9.017
  534    HG2  GLU  73           HG2      GLU  73  -0.807   0.333 -10.371
  535    HG3  GLU  73           HG3      GLU  73  -1.096   2.068 -10.264
  536    H    LEU  74           H        LEU  74   0.573   0.410  -6.406
  537    HA   LEU  74           HA       LEU  74   2.605   2.047  -5.287
  538    HB2  LEU  74           HB2      LEU  74   0.140   1.844  -4.638
  539    HB3  LEU  74           HB3      LEU  74   0.552   0.356  -3.834
  540    HG   LEU  74           HG       LEU  74   0.224   2.274  -2.308
  541   HD11  LEU  74          HD11      LEU  74   1.596   0.463  -1.526
  542   HD12  LEU  74          HD12      LEU  74   2.199   2.004  -0.916
  543   HD13  LEU  74          HD13      LEU  74   3.027   1.195  -2.251
  544   HD21  LEU  74          HD21      LEU  74   2.675   3.414  -3.639
  545   HD22  LEU  74          HD22      LEU  74   1.912   4.049  -2.181
  546   HD23  LEU  74          HD23      LEU  74   1.034   4.059  -3.708
  547    H    LEU  75           H        LEU  75   1.949  -1.383  -5.250
  548    HA   LEU  75           HA       LEU  75   3.786  -2.306  -3.381
  549    HB2  LEU  75           HB2      LEU  75   2.026  -3.620  -4.589
  550    HB3  LEU  75           HB3      LEU  75   3.064  -3.615  -6.001
  551    HG   LEU  75           HG       LEU  75   4.783  -4.819  -4.651
  552   HD11  LEU  75          HD11      LEU  75   4.056  -5.891  -2.585
  553   HD12  LEU  75          HD12      LEU  75   2.528  -5.014  -2.672
  554   HD13  LEU  75          HD13      LEU  75   4.039  -4.132  -2.455
  555   HD21  LEU  75          HD21      LEU  75   2.092  -6.158  -4.920
  556   HD22  LEU  75          HD22      LEU  75   3.643  -6.982  -4.756
  557   HD23  LEU  75          HD23      LEU  75   3.308  -6.010  -6.188
  558    H    ASP  76           H        ASP  76   4.176  -1.680  -6.833
  559    HA   ASP  76           HA       ASP  76   6.926  -2.491  -6.924
  560    HB2  ASP  76           HB2      ASP  76   5.411  -2.609  -8.902
  561    HB3  ASP  76           HB3      ASP  76   5.362  -0.856  -8.923
  562    H    LEU  77           H        LEU  77   5.195   0.494  -6.569
  563    HA   LEU  77           HA       LEU  77   7.294   2.315  -6.881
  564    HB2  LEU  77           HB2      LEU  77   4.772   2.457  -5.250
  565    HB3  LEU  77           HB3      LEU  77   5.816   3.841  -5.422
  566    HG   LEU  77           HG       LEU  77   4.346   2.425  -7.645
  567   HD11  LEU  77          HD11      LEU  77   3.923   5.126  -6.388
  568   HD12  LEU  77          HD12      LEU  77   2.886   3.710  -6.199
  569   HD13  LEU  77          HD13      LEU  77   3.049   4.480  -7.776
  570   HD21  LEU  77          HD21      LEU  77   5.122   4.263  -9.067
  571   HD22  LEU  77          HD22      LEU  77   6.476   3.322  -8.433
  572   HD23  LEU  77          HD23      LEU  77   6.085   4.891  -7.731
  573    H    ILE  78           H        ILE  78   6.265   0.470  -4.070
  574    HA   ILE  78           HA       ILE  78   8.064   1.672  -2.235
  575    HB   ILE  78           HB       ILE  78   6.873  -1.121  -2.197
  576   HG12  ILE  78          HG12      ILE  78   5.174   0.649  -2.079
  577   HG13  ILE  78          HG13      ILE  78   5.302  -0.197  -0.541
  578   HG21  ILE  78          HG21      ILE  78   8.284   0.394   0.011
  579   HG22  ILE  78          HG22      ILE  78   8.895  -1.028  -0.831
  580   HG23  ILE  78          HG23      ILE  78   7.466  -1.158   0.195
  581   HD11  ILE  78          HD11      ILE  78   5.074   2.171  -0.155
  582   HD12  ILE  78          HD12      ILE  78   6.438   2.496  -1.222
  583   HD13  ILE  78          HD13      ILE  78   6.709   1.661   0.302
  584    H    ASN  79           H        ASN  79   8.270  -1.331  -4.130
  585    HA   ASN  79           HA       ASN  79  10.818  -2.073  -3.253
  586    HB2  ASN  79           HB2      ASN  79   9.424  -2.762  -5.841
  587    HB3  ASN  79           HB3      ASN  79  10.929  -3.506  -5.309
  588   HD21  ASN  79          HD21      ASN  79   8.370  -4.732  -5.779
  589   HD22  ASN  79          HD22      ASN  79   7.889  -5.478  -4.291
  590    H    GLY  80           H        GLY  80   9.906  -0.121  -6.047
  591    HA2  GLY  80           HA2      GLY  80  12.506   0.295  -7.048
  592    HA3  GLY  80           HA3      GLY  80  11.144   1.388  -7.274
  593    H    ALA  81           H        ALA  81  10.690   1.878  -4.509
  594    HA   ALA  81           HA       ALA  81  12.560   3.966  -4.085
  595    HB1  ALA  81           HB1      ALA  81  10.447   2.896  -2.203
  596    HB2  ALA  81           HB2      ALA  81  10.206   4.167  -3.398
  597    HB3  ALA  81           HB3      ALA  81  11.300   4.429  -2.041
  598    H    LEU  82           H        LEU  82  12.023   0.795  -2.622
  599    HA   LEU  82           HA       LEU  82  13.839   0.843  -0.517
  600    HB2  LEU  82           HB2      LEU  82  12.941  -1.435  -2.261
  601    HB3  LEU  82           HB3      LEU  82  14.003  -1.674  -0.894
  602    HG   LEU  82           HG       LEU  82  11.215  -0.519  -0.701
  603   HD11  LEU  82          HD11      LEU  82  10.607  -2.697   0.237
  604   HD12  LEU  82          HD12      LEU  82  12.235  -3.294  -0.085
  605   HD13  LEU  82          HD13      LEU  82  11.172  -2.859  -1.426
  606   HD21  LEU  82          HD21      LEU  82  11.510  -0.925   1.698
  607   HD22  LEU  82          HD22      LEU  82  12.724   0.197   1.083
  608   HD23  LEU  82          HD23      LEU  82  13.160  -1.481   1.402
  609    H    ALA  83           H        ALA  83  14.461   0.471  -3.905
  610    HA   ALA  83           HA       ALA  83  17.053  -0.585  -3.816
  611    HB1  ALA  83           HB1      ALA  83  17.306   0.254  -6.080
  612    HB2  ALA  83           HB2      ALA  83  15.896   1.290  -5.871
  613    HB3  ALA  83           HB3      ALA  83  15.708  -0.466  -5.863
  614    H    GLU  84           H        GLU  84  15.893   2.601  -3.213
  615    HA   GLU  84           HA       GLU  84  18.667   3.593  -2.964
  616    HB2  GLU  84           HB2      GLU  84  17.431   4.892  -4.587
  617    HB3  GLU  84           HB3      GLU  84  16.090   5.102  -3.469
  618    HG2  GLU  84           HG2      GLU  84  17.524   6.436  -2.009
  619    HG3  GLU  84           HG3      GLU  84  18.862   6.231  -3.135
  620    H    ALA  85           H        ALA  85  15.494   3.467  -1.510
  621    HA   ALA  85           HA       ALA  85  14.619   3.759   0.424
  622    HB1  ALA  85           HB1      ALA  85  15.867   3.289   2.505
  623    HB2  ALA  85           HB2      ALA  85  17.391   3.320   1.606
  624    HB3  ALA  85           HB3      ALA  85  16.192   2.079   1.270
  625    H    ALA  86           H        ALA  86  17.451   5.341   1.802
  626    HA   ALA  86           HA       ALA  86  16.736   7.935   1.006
  627    HB1  ALA  86           HB1      ALA  86  15.998   7.134   3.840
  628    HB2  ALA  86           HB2      ALA  86  14.858   7.585   2.570
  629    HB3  ALA  86           HB3      ALA  86  15.989   8.781   3.202
  630    H28  SXA  87          H28A      SXA  87  -7.747  13.885   0.544
  631   H28A  SXA  87          H28B      SXA  87  -7.069  12.775   1.739
  632    H30  SXA  87          H30A      SXA  87  -4.535  14.153   2.311
  633   H30A  SXA  87          H30B      SXA  87  -5.663  13.550   3.524
  634   H30B  SXA  87          H30C      SXA  87  -5.098  15.218   3.598
  635    H31  SXA  87          H31A      SXA  87  -6.974  16.339   0.563
  636   H31A  SXA  87          H31B      SXA  87  -5.284  15.836   0.625
  637   H31B  SXA  87          H31C      SXA  87  -5.934  16.900   1.873
  638    H32  SXA  87          H32A      SXA  87  -8.051  14.367   3.600
  639   HO33  SXA  87          H33A      SXA  87  -9.383  16.179   2.401
  640   HN36  SXA  87          H36A      SXA  87  -6.134  15.783   4.692
  641    H37  SXA  87          H37A      SXA  87  -6.368  18.603   4.850
  642   H37A  SXA  87          H37B      SXA  87  -7.227  17.825   6.177
  643    H38  SXA  87          H38A      SXA  87  -4.990  18.388   6.876
  644   H38A  SXA  87          H38B      SXA  87  -5.173  16.633   6.814
  645   HN41  SXA  87          H41A      SXA  87  -2.797  16.954   6.909
  646    H42  SXA  87          H42A      SXA  87  -1.501  16.167   4.603
  647   H42A  SXA  87          H42B      SXA  87  -1.227  17.906   4.763
  648    H43  SXA  87          H43A      SXA  87  -0.296  17.551   7.003
  649   H43A  SXA  87          H43B      SXA  87   0.580  16.571   5.809
  650    H2   SXA  87           H2C      SXA  87   1.357  13.597   9.327
  651    H2A  SXA  87           H2A      SXA  87  -0.409  13.648   9.245
  652    H2B  SXA  87           H2B      SXA  87   0.455  14.704  10.371
  Start of MODEL   20
    1    H1   MET   1           H1       MET   1  18.613  -8.707   0.720
    2    H2   MET   1           H2       MET   1  20.058  -9.298   0.067
    3    H3   MET   1           H3       MET   1  18.856  -8.655  -0.926
    4    HA   MET   1           HA       MET   1  20.248  -7.087   1.145
    5    HB2  MET   1           HB2      MET   1  20.549  -6.964  -1.873
    6    HB3  MET   1           HB3      MET   1  21.266  -5.837  -0.735
    7    HG2  MET   1           HG2      MET   1  22.563  -7.711   0.228
    8    HG3  MET   1           HG3      MET   1  21.900  -8.763  -1.022
    9    HE1  MET   1           HE1      MET   1  23.368  -7.086  -4.284
   10    HE2  MET   1           HE2      MET   1  21.837  -6.686  -3.509
   11    HE3  MET   1           HE3      MET   1  22.339  -8.371  -3.648
   12    H    ALA   2           H        ALA   2  18.172  -7.005  -1.781
   13    HA   ALA   2           HA       ALA   2  17.007  -4.537  -0.762
   14    HB1  ALA   2           HB1      ALA   2  17.761  -4.520  -3.088
   15    HB2  ALA   2           HB2      ALA   2  16.011  -4.329  -2.985
   16    HB3  ALA   2           HB3      ALA   2  16.705  -5.884  -3.442
   17    H    THR   3           H        THR   3  15.211  -4.641   0.270
   18    HA   THR   3           HA       THR   3  13.725  -7.088   0.529
   19    HB   THR   3           HB       THR   3  13.081  -4.326   1.582
   20    HG1  THR   3           HG1      THR   3  15.188  -4.923   2.178
   21   HG21  THR   3          HG21      THR   3  11.949  -5.589   3.367
   22   HG22  THR   3          HG22      THR   3  12.401  -7.101   2.580
   23   HG23  THR   3          HG23      THR   3  11.286  -5.991   1.783
   24    H    LEU   4           H        LEU   4  12.445  -7.520  -1.257
   25    HA   LEU   4           HA       LEU   4  10.895  -5.273  -2.307
   26    HB2  LEU   4           HB2      LEU   4  11.248  -8.027  -3.494
   27    HB3  LEU   4           HB3      LEU   4  10.316  -6.728  -4.199
   28    HG   LEU   4           HG       LEU   4  13.311  -6.804  -3.856
   29   HD11  LEU   4          HD11      LEU   4  12.477  -8.183  -5.661
   30   HD12  LEU   4          HD12      LEU   4  13.314  -6.767  -6.295
   31   HD13  LEU   4          HD13      LEU   4  11.550  -6.821  -6.290
   32   HD21  LEU   4          HD21      LEU   4  13.329  -4.657  -5.034
   33   HD22  LEU   4          HD22      LEU   4  12.476  -4.533  -3.493
   34   HD23  LEU   4          HD23      LEU   4  11.565  -4.624  -5.003
   35    H    LEU   5           H        LEU   5   9.095  -5.032  -1.300
   36    HA   LEU   5           HA       LEU   5   7.864  -7.047   0.270
   37    HB2  LEU   5           HB2      LEU   5   6.604  -4.521  -0.764
   38    HB3  LEU   5           HB3      LEU   5   6.047  -5.501   0.573
   39    HG   LEU   5           HG       LEU   5   8.470  -3.736   0.463
   40   HD11  LEU   5          HD11      LEU   5   6.378  -2.625   0.843
   41   HD12  LEU   5          HD12      LEU   5   7.346  -2.624   2.318
   42   HD13  LEU   5          HD13      LEU   5   5.991  -3.740   2.152
   43   HD21  LEU   5          HD21      LEU   5   9.081  -5.787   1.653
   44   HD22  LEU   5          HD22      LEU   5   7.647  -5.632   2.668
   45   HD23  LEU   5          HD23      LEU   5   8.935  -4.432   2.774
   46    H    THR   6           H        THR   6   6.313  -8.450  -0.225
   47    HA   THR   6           HA       THR   6   5.412  -8.545  -2.986
   48    HB   THR   6           HB       THR   6   4.556 -10.789  -2.347
   49    HG1  THR   6           HG1      THR   6   5.924 -10.437   0.118
   50   HG21  THR   6          HG21      THR   6   7.451 -10.322  -1.590
   51   HG22  THR   6          HG22      THR   6   6.847 -10.582  -3.226
   52   HG23  THR   6          HG23      THR   6   6.743 -11.876  -2.031
   53    H    THR   7           H        THR   7   2.996  -9.605  -2.950
   54    HA   THR   7           HA       THR   7   1.254  -7.664  -2.108
   55    HB   THR   7           HB       THR   7   0.505 -10.558  -2.564
   56    HG1  THR   7           HG1      THR   7   0.509  -9.938  -4.793
   57   HG21  THR   7          HG21      THR   7  -1.284  -8.998  -1.866
   58   HG22  THR   7          HG22      THR   7  -1.506  -9.549  -3.528
   59   HG23  THR   7          HG23      THR   7  -0.865  -7.936  -3.209
   60    H    ASP   8           H        ASP   8   2.732 -10.156  -0.218
   61    HA   ASP   8           HA       ASP   8   0.733 -10.448   1.774
   62    HB2  ASP   8           HB2      ASP   8   2.474 -12.120   1.592
   63    HB3  ASP   8           HB3      ASP   8   3.716 -10.913   1.917
   64    H    ASP   9           H        ASP   9   3.661  -8.488   1.594
   65    HA   ASP   9           HA       ASP   9   3.302  -7.178   4.081
   66    HB2  ASP   9           HB2      ASP   9   4.977  -6.612   1.677
   67    HB3  ASP   9           HB3      ASP   9   4.811  -5.365   2.903
   68    H    LEU  10           H        LEU  10   2.291  -6.488   0.852
   69    HA   LEU  10           HA       LEU  10   1.268  -3.905   1.367
   70    HB2  LEU  10           HB2      LEU  10   1.777  -4.852  -0.888
   71    HB3  LEU  10           HB3      LEU  10   0.383  -5.893  -0.727
   72    HG   LEU  10           HG       LEU  10  -1.085  -3.916  -0.688
   73   HD11  LEU  10          HD11      LEU  10   0.476  -2.307   0.281
   74   HD12  LEU  10          HD12      LEU  10  -0.171  -1.713  -1.246
   75   HD13  LEU  10          HD13      LEU  10   1.465  -2.371  -1.178
   76   HD21  LEU  10          HD21      LEU  10  -0.786  -3.303  -3.033
   77   HD22  LEU  10          HD22      LEU  10  -0.587  -5.040  -2.787
   78   HD23  LEU  10          HD23      LEU  10   0.828  -4.015  -3.013
   79    H    ARG  11           H        ARG  11  -0.254  -7.125   1.239
   80    HA   ARG  11           HA       ARG  11  -2.836  -6.515   2.015
   81    HB2  ARG  11           HB2      ARG  11  -2.302  -8.768   1.385
   82    HB3  ARG  11           HB3      ARG  11  -1.124  -8.915   2.682
   83    HG2  ARG  11           HG2      ARG  11  -2.900  -8.833   4.336
   84    HG3  ARG  11           HG3      ARG  11  -4.095  -8.613   3.060
   85    HD2  ARG  11           HD2      ARG  11  -4.038 -10.919   3.843
   86    HD3  ARG  11           HD3      ARG  11  -3.561 -10.795   2.155
   87    HE   ARG  11           HE       ARG  11  -1.210 -10.754   3.514
   88   HH11  ARG  11          HH11      ARG  11  -4.006 -12.938   3.665
   89   HH12  ARG  11          HH12      ARG  11  -3.066 -14.350   3.774
   90   HH21  ARG  11          HH21      ARG  11   0.100 -12.733   3.818
   91   HH22  ARG  11          HH22      ARG  11  -0.713 -14.213   3.941
   92    H    ARG  12           H        ARG  12  -0.114  -7.364   4.097
   93    HA   ARG  12           HA       ARG  12  -1.404  -6.998   6.518
   94    HB2  ARG  12           HB2      ARG  12   1.470  -7.048   5.718
   95    HB3  ARG  12           HB3      ARG  12   1.042  -6.594   7.362
   96    HG2  ARG  12           HG2      ARG  12  -0.096  -8.709   7.682
   97    HG3  ARG  12           HG3      ARG  12   0.227  -9.157   6.007
   98    HD2  ARG  12           HD2      ARG  12   2.514  -9.410   6.396
   99    HD3  ARG  12           HD3      ARG  12   2.453  -8.479   7.893
  100    HE   ARG  12           HE       ARG  12   1.036 -10.407   8.720
  101   HH11  ARG  12          HH11      ARG  12   3.385 -11.068   6.142
  102   HH12  ARG  12          HH12      ARG  12   4.017 -12.451   6.870
  103   HH21  ARG  12          HH21      ARG  12   1.821 -12.423   9.668
  104   HH22  ARG  12          HH22      ARG  12   3.118 -13.249   8.945
  105    H    ALA  13           H        ALA  13   0.121  -4.624   4.476
  106    HA   ALA  13           HA       ALA  13   0.002  -2.520   6.372
  107    HB1  ALA  13           HB1      ALA  13   0.049  -2.371   3.359
  108    HB2  ALA  13           HB2      ALA  13   1.464  -2.418   4.410
  109    HB3  ALA  13           HB3      ALA  13   0.369  -1.038   4.467
  110    H    LEU  14           H        LEU  14  -2.119  -3.482   3.673
  111    HA   LEU  14           HA       LEU  14  -3.971  -1.425   4.162
  112    HB2  LEU  14           HB2      LEU  14  -4.101  -3.881   2.475
  113    HB3  LEU  14           HB3      LEU  14  -5.574  -3.003   2.804
  114    HG   LEU  14           HG       LEU  14  -4.507  -0.969   1.810
  115   HD11  LEU  14          HD11      LEU  14  -2.377  -2.892   0.932
  116   HD12  LEU  14          HD12      LEU  14  -2.182  -1.543   2.050
  117   HD13  LEU  14          HD13      LEU  14  -2.580  -1.237   0.359
  118   HD21  LEU  14          HD21      LEU  14  -6.065  -2.309   0.554
  119   HD22  LEU  14          HD22      LEU  14  -4.761  -3.380   0.033
  120   HD23  LEU  14          HD23      LEU  14  -4.792  -1.701  -0.504
  121    H    VAL  15           H        VAL  15  -3.744  -4.587   5.551
  122    HA   VAL  15           HA       VAL  15  -6.348  -4.566   6.718
  123    HB   VAL  15           HB       VAL  15  -3.822  -5.900   7.789
  124   HG11  VAL  15          HG11      VAL  15  -6.724  -6.430   8.443
  125   HG12  VAL  15          HG12      VAL  15  -5.543  -5.667   9.510
  126   HG13  VAL  15          HG13      VAL  15  -5.346  -7.358   9.044
  127   HG21  VAL  15          HG21      VAL  15  -4.698  -7.947   6.750
  128   HG22  VAL  15          HG22      VAL  15  -4.401  -6.691   5.547
  129   HG23  VAL  15          HG23      VAL  15  -6.048  -7.029   6.082
  130    H    GLU  16           H        GLU  16  -3.181  -3.756   8.079
  131    HA   GLU  16           HA       GLU  16  -4.054  -2.818  10.572
  132    HB2  GLU  16           HB2      GLU  16  -1.548  -2.219   9.028
  133    HB3  GLU  16           HB3      GLU  16  -1.809  -1.779  10.708
  134    HG2  GLU  16           HG2      GLU  16  -1.848  -4.579   9.631
  135    HG3  GLU  16           HG3      GLU  16  -0.476  -3.810  10.429
  136    H    SER  17           H        SER  17  -3.525  -1.099   7.528
  137    HA   SER  17           HA       SER  17  -3.676   1.441   8.787
  138    HB2  SER  17           HB2      SER  17  -2.463   0.802   6.584
  139    HB3  SER  17           HB3      SER  17  -4.048   0.980   5.831
  140    HG   SER  17           HG       SER  17  -2.800   2.907   7.439
  141    H    ALA  18           H        ALA  18  -5.959  -0.649   7.101
  142    HA   ALA  18           HA       ALA  18  -8.078   1.261   7.148
  143    HB1  ALA  18           HB1      ALA  18  -8.225  -1.752   6.929
  144    HB2  ALA  18           HB2      ALA  18  -8.100  -0.635   5.571
  145    HB3  ALA  18           HB3      ALA  18  -9.541  -0.630   6.589
  146    H    GLY  19           H        GLY  19  -7.121  -1.477   9.160
  147    HA2  GLY  19           HA2      GLY  19  -7.421  -1.830  11.415
  148    HA3  GLY  19           HA3      GLY  19  -8.173  -0.244  11.524
  149    H    GLU  20           H        GLU  20  -9.479  -2.278   9.158
  150    HA   GLU  20           HA       GLU  20 -11.595  -3.238  10.891
  151    HB2  GLU  20           HB2      GLU  20 -12.009  -1.536   8.420
  152    HB3  GLU  20           HB3      GLU  20 -13.278  -2.468   9.200
  153    HG2  GLU  20           HG2      GLU  20 -13.087  -1.139  11.199
  154    HG3  GLU  20           HG3      GLU  20 -11.710  -0.271  10.526
  155    H    THR  21           H        THR  21 -12.640  -4.993  10.036
  156    HA   THR  21           HA       THR  21 -11.261  -6.271   7.788
  157    HB   THR  21           HB       THR  21 -12.878  -7.554  10.024
  158    HG1  THR  21           HG1      THR  21 -10.992  -6.672  10.859
  159   HG21  THR  21          HG21      THR  21 -12.767  -8.880   7.942
  160   HG22  THR  21          HG22      THR  21 -11.830  -9.640   9.232
  161   HG23  THR  21          HG23      THR  21 -11.009  -8.745   7.954
  162    H    ASP  22           H        ASP  22 -12.493  -5.310   6.242
  163    HA   ASP  22           HA       ASP  22 -15.279  -4.904   6.285
  164    HB2  ASP  22           HB2      ASP  22 -13.940  -3.603   4.802
  165    HB3  ASP  22           HB3      ASP  22 -13.342  -5.044   3.983
  166    H    GLY  23           H        GLY  23 -13.356  -7.585   5.097
  167    HA2  GLY  23           HA2      GLY  23 -14.465  -9.756   5.176
  168    HA3  GLY  23           HA3      GLY  23 -15.882  -8.969   4.477
  169    H    THR  24           H        THR  24 -14.147  -7.255   2.835
  170    HA   THR  24           HA       THR  24 -14.061  -8.671   0.460
  171    HB   THR  24           HB       THR  24 -14.005  -6.163   0.694
  172    HG1  THR  24           HG1      THR  24 -13.403  -6.250  -1.229
  173   HG21  THR  24          HG21      THR  24 -11.881  -4.991   1.092
  174   HG22  THR  24          HG22      THR  24 -11.087  -6.537   1.394
  175   HG23  THR  24          HG23      THR  24 -12.343  -5.967   2.491
  176    H    ASP  25           H        ASP  25 -12.603 -10.089  -0.377
  177    HA   ASP  25           HA       ASP  25 -10.668 -11.101   1.429
  178    HB2  ASP  25           HB2      ASP  25 -11.591 -12.071  -1.239
  179    HB3  ASP  25           HB3      ASP  25 -10.091 -12.693  -0.559
  180    H    LEU  26           H        LEU  26  -9.408  -9.582   1.761
  181    HA   LEU  26           HA       LEU  26  -7.583  -8.552  -0.226
  182    HB2  LEU  26           HB2      LEU  26  -8.593  -7.212   1.676
  183    HB3  LEU  26           HB3      LEU  26  -7.667  -8.199   2.780
  184    HG   LEU  26           HG       LEU  26  -5.591  -7.328   1.638
  185   HD11  LEU  26          HD11      LEU  26  -5.817  -5.246   0.386
  186   HD12  LEU  26          HD12      LEU  26  -7.574  -5.393   0.458
  187   HD13  LEU  26          HD13      LEU  26  -6.624  -6.585  -0.429
  188   HD21  LEU  26          HD21      LEU  26  -5.658  -5.203   2.849
  189   HD22  LEU  26          HD22      LEU  26  -6.343  -6.514   3.804
  190   HD23  LEU  26          HD23      LEU  26  -7.407  -5.352   3.011
  191    H    SER  27           H        SER  27  -7.182 -10.972  -0.462
  192    HA   SER  27           HA       SER  27  -5.463 -12.249   1.492
  193    HB2  SER  27           HB2      SER  27  -6.125 -13.132  -1.313
  194    HB3  SER  27           HB3      SER  27  -5.714 -14.141   0.077
  195    HG   SER  27           HG       SER  27  -7.749 -13.277   1.040
  196    H    GLY  28           H        GLY  28  -3.670 -13.569  -0.374
  197    HA2  GLY  28           HA2      GLY  28  -1.773 -11.425  -0.748
  198    HA3  GLY  28           HA3      GLY  28  -1.501 -13.145  -1.008
  199    H    ASP  29           H        ASP  29  -4.100 -11.262  -2.370
  200    HA   ASP  29           HA       ASP  29  -2.938 -10.920  -4.953
  201    HB2  ASP  29           HB2      ASP  29  -3.478 -13.277  -5.214
  202    HB3  ASP  29           HB3      ASP  29  -5.106 -13.010  -4.604
  203    H    PHE  30           H        PHE  30  -3.550  -8.846  -4.824
  204    HA   PHE  30           HA       PHE  30  -6.286  -8.300  -5.546
  205    HB2  PHE  30           HB2      PHE  30  -6.678  -6.611  -3.771
  206    HB3  PHE  30           HB3      PHE  30  -6.497  -8.225  -3.108
  207    HD1  PHE  30           HD2      PHE  30  -4.451  -8.818  -1.858
  208    HD2  PHE  30           HD1      PHE  30  -5.160  -4.866  -3.238
  209    HE1  PHE  30           HE2      PHE  30  -2.716  -7.983  -0.338
  210    HE2  PHE  30           HE1      PHE  30  -3.410  -4.026  -1.727
  211    HZ   PHE  30           HZ       PHE  30  -2.265  -5.574  -0.198
  212    H    LEU  31           H        LEU  31  -3.463  -8.070  -6.491
  213    HA   LEU  31           HA       LEU  31  -2.506  -5.481  -6.302
  214    HB2  LEU  31           HB2      LEU  31  -1.921  -7.590  -8.338
  215    HB3  LEU  31           HB3      LEU  31  -1.047  -6.071  -8.216
  216    HG   LEU  31           HG       LEU  31  -1.197  -8.179  -6.060
  217   HD11  LEU  31          HD11      LEU  31   0.162  -8.876  -7.947
  218   HD12  LEU  31          HD12      LEU  31   1.160  -8.522  -6.536
  219   HD13  LEU  31          HD13      LEU  31   1.066  -7.365  -7.863
  220   HD21  LEU  31          HD21      LEU  31   0.483  -6.815  -4.917
  221   HD22  LEU  31          HD22      LEU  31  -1.027  -5.932  -5.133
  222   HD23  LEU  31          HD23      LEU  31   0.350  -5.593  -6.181
  223    H    ASP  32           H        ASP  32  -4.910  -6.661  -8.565
  224    HA   ASP  32           HA       ASP  32  -4.725  -4.019  -9.846
  225    HB2  ASP  32           HB2      ASP  32  -5.763  -4.839 -11.825
  226    HB3  ASP  32           HB3      ASP  32  -4.503  -5.981 -11.402
  227    H    LEU  33           H        LEU  33  -6.284  -5.205  -7.382
  228    HA   LEU  33           HA       LEU  33  -8.975  -4.541  -8.150
  229    HB2  LEU  33           HB2      LEU  33  -7.803  -5.170  -5.439
  230    HB3  LEU  33           HB3      LEU  33  -9.504  -4.876  -5.738
  231    HG   LEU  33           HG       LEU  33  -7.863  -7.195  -6.762
  232   HD11  LEU  33          HD11      LEU  33  -8.477  -7.369  -4.425
  233   HD12  LEU  33          HD12      LEU  33  -9.385  -8.530  -5.396
  234   HD13  LEU  33          HD13      LEU  33 -10.162  -7.048  -4.834
  235   HD21  LEU  33          HD21      LEU  33 -10.774  -6.550  -7.257
  236   HD22  LEU  33          HD22      LEU  33  -9.949  -8.036  -7.734
  237   HD23  LEU  33          HD23      LEU  33  -9.483  -6.498  -8.459
  238    H    ARG  34           H        ARG  34  -9.957  -2.685  -7.859
  239    HA   ARG  34           HA       ARG  34  -8.273  -0.389  -7.651
  240    HB2  ARG  34           HB2      ARG  34 -11.268  -0.615  -7.782
  241    HB3  ARG  34           HB3      ARG  34 -10.331   0.851  -8.031
  242    HG2  ARG  34           HG2      ARG  34  -9.381  -0.008 -10.038
  243    HG3  ARG  34           HG3      ARG  34 -10.062  -1.611  -9.731
  244    HD2  ARG  34           HD2      ARG  34 -11.641   0.907 -10.198
  245    HD3  ARG  34           HD3      ARG  34 -11.357  -0.361 -11.390
  246    HE   ARG  34           HE       ARG  34 -12.425  -1.727  -9.349
  247   HH11  ARG  34          HH11      ARG  34 -13.489   1.272 -10.867
  248   HH12  ARG  34          HH12      ARG  34 -15.155   0.937 -10.743
  249   HH21  ARG  34          HH21      ARG  34 -14.701  -2.207  -9.122
  250   HH22  ARG  34          HH22      ARG  34 -15.868  -1.128  -9.727
  251    H    PHE  35           H        PHE  35  -7.811   0.733  -5.929
  252    HA   PHE  35           HA       PHE  35  -8.429   0.076  -3.343
  253    HB2  PHE  35           HB2      PHE  35  -7.597   2.724  -4.492
  254    HB3  PHE  35           HB3      PHE  35  -7.852   2.492  -2.773
  255    HD1  PHE  35           HD2      PHE  35  -6.472   0.641  -1.637
  256    HD2  PHE  35           HD1      PHE  35  -5.561   2.246  -5.465
  257    HE1  PHE  35           HE2      PHE  35  -4.184  -0.230  -1.452
  258    HE2  PHE  35           HE1      PHE  35  -3.269   1.369  -5.292
  259    HZ   PHE  35           HZ       PHE  35  -2.525   0.321  -3.151
  260    H    GLU  36           H        GLU  36 -10.119   2.421  -5.372
  261    HA   GLU  36           HA       GLU  36 -11.884   3.460  -3.470
  262    HB2  GLU  36           HB2      GLU  36 -13.330   4.135  -5.315
  263    HB3  GLU  36           HB3      GLU  36 -11.650   4.391  -5.757
  264    HG2  GLU  36           HG2      GLU  36 -11.666   2.430  -7.154
  265    HG3  GLU  36           HG3      GLU  36 -13.286   2.009  -6.608
  266    H    ASP  37           H        ASP  37 -11.951   0.435  -5.111
  267    HA   ASP  37           HA       ASP  37 -14.726  -0.095  -4.526
  268    HB2  ASP  37           HB2      ASP  37 -13.708  -0.720  -6.684
  269    HB3  ASP  37           HB3      ASP  37 -12.632  -1.822  -5.839
  270    H    ILE  38           H        ILE  38 -11.593  -0.785  -3.225
  271    HA   ILE  38           HA       ILE  38 -12.746  -2.863  -1.536
  272    HB   ILE  38           HB       ILE  38 -10.447  -3.328  -0.713
  273   HG12  ILE  38          HG12      ILE  38  -9.606  -1.323  -2.830
  274   HG13  ILE  38          HG13      ILE  38  -9.458  -1.107  -1.092
  275   HG21  ILE  38          HG21      ILE  38 -10.815  -3.445  -3.699
  276   HG22  ILE  38          HG22      ILE  38 -11.379  -4.631  -2.518
  277   HG23  ILE  38          HG23      ILE  38  -9.646  -4.396  -2.776
  278   HD11  ILE  38          HD11      ILE  38  -8.017  -3.173  -2.747
  279   HD12  ILE  38          HD12      ILE  38  -7.863  -2.961  -1.003
  280   HD13  ILE  38          HD13      ILE  38  -7.325  -1.688  -2.097
  281    H    GLY  39           H        GLY  39 -13.065   0.115  -1.325
  282    HA2  GLY  39           HA2      GLY  39 -13.856   1.282   0.551
  283    HA3  GLY  39           HA3      GLY  39 -13.091   0.085   1.582
  284    H    TYR  40           H        TYR  40 -11.011   1.307  -0.806
  285    HA   TYR  40           HA       TYR  40  -9.778   3.019   1.197
  286    HB2  TYR  40           HB2      TYR  40  -8.658   1.283  -0.931
  287    HB3  TYR  40           HB3      TYR  40  -7.823   2.804  -0.633
  288    HD1  TYR  40           HD1      TYR  40  -9.426   0.187   1.456
  289    HD2  TYR  40           HD2      TYR  40  -5.992   2.578   0.753
  290    HE1  TYR  40           HE1      TYR  40  -8.304  -0.909   3.323
  291    HE2  TYR  40           HE2      TYR  40  -4.848   1.496   2.628
  292    HH   TYR  40           HH       TYR  40  -5.325   0.184   4.608
  293    H    ASP  41           H        ASP  41 -10.475   4.916   1.018
  294    HA   ASP  41           HA       ASP  41 -11.441   6.076  -1.401
  295    HB2  ASP  41           HB2      ASP  41 -12.183   6.553   0.994
  296    HB3  ASP  41           HB3      ASP  41 -10.674   7.484   1.090
  297    H    SER  42           H        SER  42  -8.787   7.062   0.762
  298    HA   SER  42           HA       SER  42  -6.756   7.192  -1.120
  299    HB2  SER  42           HB2      SER  42  -6.534   9.690  -1.413
  300    HB3  SER  42           HB3      SER  42  -7.914   8.986  -2.267
  301    H    LEU  43           H        LEU  43  -8.082   8.884   1.719
  302    HA   LEU  43           HA       LEU  43  -5.556   9.574   2.765
  303    HB2  LEU  43           HB2      LEU  43  -8.207   9.233   4.138
  304    HB3  LEU  43           HB3      LEU  43  -6.764   9.746   4.990
  305    HG   LEU  43           HG       LEU  43  -8.062  11.234   2.706
  306   HD11  LEU  43          HD11      LEU  43  -7.976  11.800   5.663
  307   HD12  LEU  43          HD12      LEU  43  -9.389  11.267   4.751
  308   HD13  LEU  43          HD13      LEU  43  -8.673  12.846   4.429
  309   HD21  LEU  43          HD21      LEU  43  -5.756  11.974   4.506
  310   HD22  LEU  43          HD22      LEU  43  -6.496  13.012   3.285
  311   HD23  LEU  43          HD23      LEU  43  -5.641  11.549   2.796
  312    H    ALA  44           H        ALA  44  -7.587   6.754   3.384
  313    HA   ALA  44           HA       ALA  44  -5.810   5.541   5.236
  314    HB1  ALA  44           HB1      ALA  44  -8.155   4.823   5.002
  315    HB2  ALA  44           HB2      ALA  44  -7.047   3.465   4.817
  316    HB3  ALA  44           HB3      ALA  44  -7.799   4.187   3.396
  317    H    LEU  45           H        LEU  45  -6.011   5.588   1.810
  318    HA   LEU  45           HA       LEU  45  -4.174   3.509   1.195
  319    HB2  LEU  45           HB2      LEU  45  -5.927   4.528  -0.247
  320    HB3  LEU  45           HB3      LEU  45  -4.984   5.960  -0.450
  321    HG   LEU  45           HG       LEU  45  -4.530   3.174  -1.532
  322   HD11  LEU  45          HD11      LEU  45  -4.640   4.301  -3.680
  323   HD12  LEU  45          HD12      LEU  45  -4.920   5.830  -2.847
  324   HD13  LEU  45          HD13      LEU  45  -6.098   4.522  -2.713
  325   HD21  LEU  45          HD21      LEU  45  -2.484   3.941  -2.640
  326   HD22  LEU  45          HD22      LEU  45  -2.306   4.026  -0.887
  327   HD23  LEU  45          HD23      LEU  45  -2.608   5.495  -1.814
  328    H    MET  46           H        MET  46  -3.909   7.016   1.476
  329    HA   MET  46           HA       MET  46  -1.135   7.291   1.089
  330    HB2  MET  46           HB2      MET  46  -3.134   8.967   2.615
  331    HB3  MET  46           HB3      MET  46  -1.472   9.463   2.321
  332    HG2  MET  46           HG2      MET  46  -1.800   9.700   0.055
  333    HG3  MET  46           HG3      MET  46  -3.242   8.693   0.047
  334    HE1  MET  46           HE1      MET  46  -3.144  12.954   1.842
  335    HE2  MET  46           HE2      MET  46  -1.733  12.166   1.136
  336    HE3  MET  46           HE3      MET  46  -2.438  11.542   2.628
  337    H    GLU  47           H        GLU  47  -3.111   6.681   3.901
  338    HA   GLU  47           HA       GLU  47  -1.203   6.900   5.939
  339    HB2  GLU  47           HB2      GLU  47  -3.762   6.647   5.979
  340    HB3  GLU  47           HB3      GLU  47  -3.460   4.924   5.906
  341    HG2  GLU  47           HG2      GLU  47  -3.797   5.530   8.190
  342    HG3  GLU  47           HG3      GLU  47  -2.098   5.106   7.964
  343    H    THR  48           H        THR  48  -2.226   4.216   3.905
  344    HA   THR  48           HA       THR  48  -0.680   2.132   4.908
  345    HB   THR  48           HB       THR  48  -1.608   2.774   2.107
  346    HG1  THR  48           HG1      THR  48  -3.083   2.282   4.059
  347   HG21  THR  48          HG21      THR  48  -1.283   0.374   1.599
  348   HG22  THR  48          HG22      THR  48  -0.533   0.150   3.183
  349   HG23  THR  48          HG23      THR  48   0.232   1.187   1.980
  350    H    ALA  49           H        ALA  49  -0.023   4.280   2.142
  351    HA   ALA  49           HA       ALA  49   2.556   3.417   1.560
  352    HB1  ALA  49           HB1      ALA  49   2.821   5.529   0.361
  353    HB2  ALA  49           HB2      ALA  49   1.410   6.185   1.189
  354    HB3  ALA  49           HB3      ALA  49   1.226   4.835   0.069
  355    H    ALA  50           H        ALA  50   1.479   6.034   3.672
  356    HA   ALA  50           HA       ALA  50   3.957   7.012   4.483
  357    HB1  ALA  50           HB1      ALA  50   1.385   6.917   6.048
  358    HB2  ALA  50           HB2      ALA  50   1.834   8.158   4.878
  359    HB3  ALA  50           HB3      ALA  50   2.758   7.975   6.369
  360    H    ARG  51           H        ARG  51   1.972   4.419   5.834
  361    HA   ARG  51           HA       ARG  51   3.576   3.889   8.102
  362    HB2  ARG  51           HB2      ARG  51   1.244   3.052   7.792
  363    HB3  ARG  51           HB3      ARG  51   1.849   1.925   6.584
  364    HG2  ARG  51           HG2      ARG  51   3.325   0.946   8.311
  365    HG3  ARG  51           HG3      ARG  51   2.566   2.001   9.499
  366    HD2  ARG  51           HD2      ARG  51   0.383   0.977   8.905
  367    HD3  ARG  51           HD3      ARG  51   1.254  -0.165   7.877
  368    HE   ARG  51           HE       ARG  51   1.711   0.093  10.766
  369   HH11  ARG  51          HH11      ARG  51   1.513  -2.009   7.889
  370   HH12  ARG  51          HH12      ARG  51   1.543  -3.444   8.812
  371   HH21  ARG  51          HH21      ARG  51   1.802  -1.819  11.939
  372   HH22  ARG  51          HH22      ARG  51   1.699  -3.359  11.199
  373    H    LEU  52           H        LEU  52   3.528   2.622   4.837
  374    HA   LEU  52           HA       LEU  52   5.508   0.649   5.167
  375    HB2  LEU  52           HB2      LEU  52   4.719   2.150   2.660
  376    HB3  LEU  52           HB3      LEU  52   5.666   0.675   2.707
  377    HG   LEU  52           HG       LEU  52   2.798   0.893   3.632
  378   HD11  LEU  52          HD11      LEU  52   2.955   1.193   1.234
  379   HD12  LEU  52          HD12      LEU  52   2.250  -0.377   1.623
  380   HD13  LEU  52          HD13      LEU  52   3.933  -0.270   1.102
  381   HD21  LEU  52          HD21      LEU  52   4.579  -1.499   3.224
  382   HD22  LEU  52          HD22      LEU  52   2.872  -1.544   3.658
  383   HD23  LEU  52          HD23      LEU  52   4.050  -0.851   4.776
  384    H    GLU  53           H        GLU  53   5.643   4.065   4.279
  385    HA   GLU  53           HA       GLU  53   8.359   4.357   3.707
  386    HB2  GLU  53           HB2      GLU  53   6.642   6.225   5.297
  387    HB3  GLU  53           HB3      GLU  53   8.181   6.641   4.583
  388    HG2  GLU  53           HG2      GLU  53   7.163   6.306   2.354
  389    HG3  GLU  53           HG3      GLU  53   5.607   6.029   3.156
  390    H    SER  54           H        SER  54   6.693   4.816   6.762
  391    HA   SER  54           HA       SER  54   8.909   5.338   8.324
  392    HB2  SER  54           HB2      SER  54   6.249   4.206   9.174
  393    HB3  SER  54           HB3      SER  54   7.383   5.123  10.169
  394    HG   SER  54           HG       SER  54   5.427   6.108   8.811
  395    H    ARG  55           H        ARG  55   7.122   2.245   7.896
  396    HA   ARG  55           HA       ARG  55   8.709   0.883   9.799
  397    HB2  ARG  55           HB2      ARG  55   6.440   0.116   9.161
  398    HB3  ARG  55           HB3      ARG  55   7.079  -0.388   7.599
  399    HG2  ARG  55           HG2      ARG  55   8.616  -1.938   8.740
  400    HG3  ARG  55           HG3      ARG  55   7.929  -1.459  10.287
  401    HD2  ARG  55           HD2      ARG  55   5.720  -2.286   9.487
  402    HD3  ARG  55           HD3      ARG  55   6.518  -2.874   8.026
  403    HE   ARG  55           HE       ARG  55   7.664  -3.777  10.510
  404   HH11  ARG  55          HH11      ARG  55   5.617  -4.685   7.730
  405   HH12  ARG  55          HH12      ARG  55   5.385  -6.280   8.311
  406   HH21  ARG  55          HH21      ARG  55   7.312  -6.045  11.200
  407   HH22  ARG  55          HH22      ARG  55   6.314  -7.011  10.196
  408    H    TYR  56           H        TYR  56   8.991   1.041   6.247
  409    HA   TYR  56           HA       TYR  56  11.153  -0.914   6.468
  410    HB2  TYR  56           HB2      TYR  56   9.720   0.027   3.994
  411    HB3  TYR  56           HB3      TYR  56  10.892  -1.284   4.076
  412    HD1  TYR  56           HD2      TYR  56  10.288  -3.152   5.888
  413    HD2  TYR  56           HD1      TYR  56   7.493  -0.509   4.091
  414    HE1  TYR  56           HE2      TYR  56   8.459  -4.698   6.452
  415    HE2  TYR  56           HE1      TYR  56   5.666  -2.036   4.668
  416    HH   TYR  56           HH       TYR  56   5.914  -5.009   5.254
  417    H    GLY  57           H        GLY  57  10.712   2.428   5.859
  418    HA2  GLY  57           HA2      GLY  57  12.514   3.927   5.891
  419    HA3  GLY  57           HA3      GLY  57  13.581   2.627   5.377
  420    H    VAL  58           H        VAL  58  10.577   3.965   4.099
  421    HA   VAL  58           HA       VAL  58  11.987   4.546   1.606
  422    HB   VAL  58           HB       VAL  58  10.208   3.797   0.182
  423   HG11  VAL  58          HG11      VAL  58  10.682   1.711   2.239
  424   HG12  VAL  58          HG12      VAL  58  11.693   2.051   0.827
  425   HG13  VAL  58          HG13      VAL  58  10.051   1.416   0.622
  426   HG21  VAL  58          HG21      VAL  58   8.272   4.429   1.509
  427   HG22  VAL  58          HG22      VAL  58   8.594   3.112   2.636
  428   HG23  VAL  58          HG23      VAL  58   8.134   2.755   0.970
  429    H    SER  59           H        SER  59  10.358   5.975   0.182
  430    HA   SER  59           HA       SER  59   8.846   7.699   1.923
  431    HB2  SER  59           HB2      SER  59  11.169   8.674   1.690
  432    HB3  SER  59           HB3      SER  59  10.902   8.757  -0.052
  433    HG   SER  59           HG       SER  59   9.143   9.919   1.804
  434    H    ILE  60           H        ILE  60   7.010   8.219   0.988
  435    HA   ILE  60           HA       ILE  60   6.657   7.836  -1.909
  436    HB   ILE  60           HB       ILE  60   4.724   6.862   0.230
  437   HG12  ILE  60          HG12      ILE  60   6.641   5.342   0.030
  438   HG13  ILE  60          HG13      ILE  60   5.168   4.588  -0.567
  439   HG21  ILE  60          HG21      ILE  60   4.514   6.681  -2.773
  440   HG22  ILE  60          HG22      ILE  60   3.541   7.696  -1.708
  441   HG23  ILE  60          HG23      ILE  60   3.398   5.941  -1.623
  442   HD11  ILE  60          HD11      ILE  60   5.896   5.040  -2.873
  443   HD12  ILE  60          HD12      ILE  60   7.072   4.066  -1.992
  444   HD13  ILE  60          HD13      ILE  60   7.368   5.786  -2.251
  445    HA   PRO  61           HA       PRO  61   4.970  11.915  -1.119
  446    HB2  PRO  61           HB2      PRO  61   4.107  11.676  -3.939
  447    HB3  PRO  61           HB3      PRO  61   5.126  12.907  -3.180
  448    HG2  PRO  61           HG2      PRO  61   6.163  11.075  -4.825
  449    HG3  PRO  61           HG3      PRO  61   7.045  11.637  -3.394
  450    HD2  PRO  61           HD2      PRO  61   5.503   9.110  -3.796
  451    HD3  PRO  61           HD3      PRO  61   7.067   9.361  -2.990
  452    H    ASP  62           H        ASP  62   3.122  12.187  -0.199
  453    HA   ASP  62           HA       ASP  62   0.937  10.437  -0.247
  454    HB2  ASP  62           HB2      ASP  62  -0.278  12.047   1.105
  455    HB3  ASP  62           HB3      ASP  62   1.393  11.995   1.632
  456    H    ASP  63           H        ASP  63   1.732  12.980  -2.380
  457    HA   ASP  63           HA       ASP  63  -0.842  13.512  -3.462
  458    HB2  ASP  63           HB2      ASP  63   1.123  14.982  -3.798
  459    HB3  ASP  63           HB3      ASP  63   1.863  13.734  -4.796
  460    H    VAL  64           H        VAL  64   1.724  11.267  -4.219
  461    HA   VAL  64           HA       VAL  64   0.557  10.199  -6.638
  462    HB   VAL  64           HB       VAL  64   2.731   9.106  -4.850
  463   HG11  VAL  64          HG11      VAL  64   1.803   7.404  -6.331
  464   HG12  VAL  64          HG12      VAL  64   3.440   7.822  -6.843
  465   HG13  VAL  64          HG13      VAL  64   2.048   8.454  -7.727
  466   HG21  VAL  64          HG21      VAL  64   3.330  11.311  -5.665
  467   HG22  VAL  64          HG22      VAL  64   2.958  10.828  -7.321
  468   HG23  VAL  64          HG23      VAL  64   4.314  10.088  -6.470
  469    H    ALA  65           H        ALA  65   0.770   9.261  -3.279
  470    HA   ALA  65           HA       ALA  65  -0.380   6.740  -3.457
  471    HB1  ALA  65           HB1      ALA  65  -0.933   7.012  -1.075
  472    HB2  ALA  65           HB2      ALA  65  -0.561   8.736  -1.203
  473    HB3  ALA  65           HB3      ALA  65   0.709   7.538  -1.440
  474    H    GLY  66           H        GLY  66  -1.936   9.922  -3.183
  475    HA2  GLY  66           HA2      GLY  66  -4.579   8.730  -3.196
  476    HA3  GLY  66           HA3      GLY  66  -4.202  10.446  -3.188
  477    H    ARG  67           H        ARG  67  -2.655   8.503  -5.553
  478    HA   ARG  67           HA       ARG  67  -4.594   9.302  -7.609
  479    HB2  ARG  67           HB2      ARG  67  -1.617   9.751  -7.657
  480    HB3  ARG  67           HB3      ARG  67  -2.585   9.738  -9.126
  481    HG2  ARG  67           HG2      ARG  67  -3.816  11.643  -8.441
  482    HG3  ARG  67           HG3      ARG  67  -3.171  11.549  -6.803
  483    HD2  ARG  67           HD2      ARG  67  -2.127  13.338  -8.117
  484    HD3  ARG  67           HD3      ARG  67  -0.966  12.126  -7.599
  485    HE   ARG  67           HE       ARG  67  -2.002  11.636 -10.212
  486   HH11  ARG  67          HH11      ARG  67   0.440  13.518  -8.375
  487   HH12  ARG  67          HH12      ARG  67   1.462  13.724  -9.707
  488   HH21  ARG  67          HH21      ARG  67  -0.541  11.971 -12.064
  489   HH22  ARG  67          HH22      ARG  67   0.871  12.881 -11.844
  490    H    VAL  68           H        VAL  68  -2.416   6.906  -6.421
  491    HA   VAL  68           HA       VAL  68  -2.474   5.326  -8.812
  492    HB   VAL  68           HB       VAL  68  -1.448   3.511  -7.306
  493   HG11  VAL  68          HG11      VAL  68  -0.068   6.193  -7.473
  494   HG12  VAL  68          HG12      VAL  68  -0.100   4.964  -8.737
  495   HG13  VAL  68          HG13      VAL  68   0.730   4.641  -7.212
  496   HG21  VAL  68          HG21      VAL  68  -2.310   4.366  -5.153
  497   HG22  VAL  68          HG22      VAL  68  -1.320   5.819  -5.365
  498   HG23  VAL  68          HG23      VAL  68  -0.545   4.251  -5.155
  499    H    ASP  69           H        ASP  69  -3.821   3.794  -9.403
  500    HA   ASP  69           HA       ASP  69  -6.360   3.568  -7.941
  501    HB2  ASP  69           HB2      ASP  69  -5.785   2.217 -10.565
  502    HB3  ASP  69           HB3      ASP  69  -7.314   2.798  -9.933
  503    H    THR  70           H        THR  70  -3.758   1.574  -9.267
  504    HA   THR  70           HA       THR  70  -5.002  -0.725  -7.996
  505    HB   THR  70           HB       THR  70  -3.521  -2.112  -9.481
  506    HG1  THR  70           HG1      THR  70  -3.013   0.437 -10.683
  507   HG21  THR  70          HG21      THR  70  -5.429  -0.204 -10.840
  508   HG22  THR  70          HG22      THR  70  -5.858  -1.722 -10.051
  509   HG23  THR  70          HG23      THR  70  -4.875  -1.737 -11.516
  510    HA   PRO  71           HA       PRO  71  -2.075  -0.849  -4.734
  511    HB2  PRO  71           HB2      PRO  71  -2.473  -3.788  -5.053
  512    HB3  PRO  71           HB3      PRO  71  -2.571  -2.792  -3.595
  513    HG2  PRO  71           HG2      PRO  71  -4.783  -3.622  -4.746
  514    HG3  PRO  71           HG3      PRO  71  -4.665  -1.944  -4.168
  515    HD2  PRO  71           HD2      PRO  71  -4.433  -3.003  -6.954
  516    HD3  PRO  71           HD3      PRO  71  -5.273  -1.551  -6.372
  517    H    ARG  72           H        ARG  72  -1.689  -3.019  -7.499
  518    HA   ARG  72           HA       ARG  72   0.932  -3.857  -7.096
  519    HB2  ARG  72           HB2      ARG  72  -0.545  -4.690  -8.910
  520    HB3  ARG  72           HB3      ARG  72  -0.325  -3.166  -9.757
  521    HG2  ARG  72           HG2      ARG  72   2.102  -3.634  -9.893
  522    HG3  ARG  72           HG3      ARG  72   1.807  -5.202  -9.141
  523    HD2  ARG  72           HD2      ARG  72   0.623  -4.242 -11.740
  524    HD3  ARG  72           HD3      ARG  72   1.976  -5.353 -11.581
  525    HE   ARG  72           HE       ARG  72   0.450  -6.885 -10.468
  526   HH11  ARG  72          HH11      ARG  72  -1.028  -4.293 -12.426
  527   HH12  ARG  72          HH12      ARG  72  -2.340  -5.244 -12.957
  528   HH21  ARG  72          HH21      ARG  72  -1.496  -8.153 -11.120
  529   HH22  ARG  72          HH22      ARG  72  -2.623  -7.475 -12.179
  530    H    GLU  73           H        GLU  73  -0.245  -0.836  -8.509
  531    HA   GLU  73           HA       GLU  73   2.274   0.146  -9.316
  532    HB2  GLU  73           HB2      GLU  73  -0.257   1.649  -8.644
  533    HB3  GLU  73           HB3      GLU  73   1.119   2.365  -9.457
  534    HG2  GLU  73           HG2      GLU  73  -0.709   0.211 -10.468
  535    HG3  GLU  73           HG3      GLU  73  -0.514   1.848 -11.093
  536    H    LEU  74           H        LEU  74   0.384   0.527  -6.396
  537    HA   LEU  74           HA       LEU  74   2.118   2.386  -5.131
  538    HB2  LEU  74           HB2      LEU  74  -0.331   2.027  -4.612
  539    HB3  LEU  74           HB3      LEU  74   0.088   0.499  -3.884
  540    HG   LEU  74           HG       LEU  74  -0.442   2.355  -2.275
  541   HD11  LEU  74          HD11      LEU  74   1.372   1.943  -0.712
  542   HD12  LEU  74          HD12      LEU  74   2.328   1.217  -2.005
  543   HD13  LEU  74          HD13      LEU  74   0.818   0.460  -1.485
  544   HD21  LEU  74          HD21      LEU  74   0.555   4.207  -3.464
  545   HD22  LEU  74          HD22      LEU  74   2.163   3.510  -3.255
  546   HD23  LEU  74          HD23      LEU  74   1.253   4.070  -1.851
  547    H    LEU  75           H        LEU  75   1.749  -1.122  -4.988
  548    HA   LEU  75           HA       LEU  75   3.672  -1.725  -3.070
  549    HB2  LEU  75           HB2      LEU  75   2.062  -3.348  -3.977
  550    HB3  LEU  75           HB3      LEU  75   2.913  -3.334  -5.510
  551    HG   LEU  75           HG       LEU  75   4.911  -4.262  -4.371
  552   HD11  LEU  75          HD11      LEU  75   4.485  -3.440  -2.131
  553   HD12  LEU  75          HD12      LEU  75   4.677  -5.193  -2.124
  554   HD13  LEU  75          HD13      LEU  75   3.070  -4.481  -2.001
  555   HD21  LEU  75          HD21      LEU  75   2.379  -5.871  -4.051
  556   HD22  LEU  75          HD22      LEU  75   4.017  -6.524  -4.096
  557   HD23  LEU  75          HD23      LEU  75   3.341  -5.737  -5.521
  558    H    ASP  76           H        ASP  76   4.005  -1.359  -6.585
  559    HA   ASP  76           HA       ASP  76   6.761  -1.994  -6.652
  560    HB2  ASP  76           HB2      ASP  76   5.366  -2.083  -8.691
  561    HB3  ASP  76           HB3      ASP  76   5.220  -0.327  -8.656
  562    H    LEU  77           H        LEU  77   5.067   0.986  -6.040
  563    HA   LEU  77           HA       LEU  77   7.223   2.785  -6.283
  564    HB2  LEU  77           HB2      LEU  77   4.884   2.859  -4.363
  565    HB3  LEU  77           HB3      LEU  77   5.985   4.190  -4.621
  566    HG   LEU  77           HG       LEU  77   4.139   3.033  -6.709
  567   HD11  LEU  77          HD11      LEU  77   3.948   5.576  -5.096
  568   HD12  LEU  77          HD12      LEU  77   2.923   4.155  -4.914
  569   HD13  LEU  77          HD13      LEU  77   2.862   5.098  -6.400
  570   HD21  LEU  77          HD21      LEU  77   6.166   4.023  -7.662
  571   HD22  LEU  77          HD22      LEU  77   5.880   5.501  -6.738
  572   HD23  LEU  77          HD23      LEU  77   4.751   5.019  -8.005
  573    H    ILE  78           H        ILE  78   6.140   0.768  -3.648
  574    HA   ILE  78           HA       ILE  78   8.078   1.623  -1.731
  575    HB   ILE  78           HB       ILE  78   6.682  -1.065  -1.785
  576   HG12  ILE  78          HG12      ILE  78   4.988   0.716  -2.034
  577   HG13  ILE  78          HG13      ILE  78   4.875  -0.068  -0.466
  578   HG21  ILE  78          HG21      ILE  78   7.757   0.632   0.468
  579   HG22  ILE  78          HG22      ILE  78   8.487  -0.841  -0.165
  580   HG23  ILE  78          HG23      ILE  78   6.928  -0.914   0.659
  581   HD11  ILE  78          HD11      ILE  78   4.567   2.328  -0.283
  582   HD12  ILE  78          HD12      ILE  78   6.140   2.603  -1.029
  583   HD13  ILE  78          HD13      ILE  78   6.035   1.827   0.553
  584    H    ASN  79           H        ASN  79   7.732  -1.219  -3.826
  585    HA   ASN  79           HA       ASN  79  10.083  -2.619  -3.213
  586    HB2  ASN  79           HB2      ASN  79   8.502  -2.458  -5.781
  587    HB3  ASN  79           HB3      ASN  79   9.981  -3.389  -5.698
  588   HD21  ASN  79          HD21      ASN  79   7.672  -3.197  -3.037
  589   HD22  ASN  79          HD22      ASN  79   7.147  -4.847  -3.193
  590    H    GLY  80           H        GLY  80   9.544  -0.222  -5.744
  591    HA2  GLY  80           HA2      GLY  80  12.131  -0.172  -6.764
  592    HA3  GLY  80           HA3      GLY  80  10.927   1.096  -6.925
  593    H    ALA  81           H        ALA  81  10.686   1.591  -4.090
  594    HA   ALA  81           HA       ALA  81  12.850   3.419  -3.834
  595    HB1  ALA  81           HB1      ALA  81  11.842   4.040  -1.698
  596    HB2  ALA  81           HB2      ALA  81  10.795   2.623  -1.768
  597    HB3  ALA  81           HB3      ALA  81  10.607   3.915  -2.953
  598    H    LEU  82           H        LEU  82  11.982   0.422  -2.194
  599    HA   LEU  82           HA       LEU  82  14.150   0.355  -0.388
  600    HB2  LEU  82           HB2      LEU  82  12.343  -1.784  -1.478
  601    HB3  LEU  82           HB3      LEU  82  13.609  -2.145  -0.323
  602    HG   LEU  82           HG       LEU  82  11.434  -0.131   0.248
  603   HD11  LEU  82          HD11      LEU  82  11.519  -3.052   1.002
  604   HD12  LEU  82          HD12      LEU  82  10.427  -2.338  -0.175
  605   HD13  LEU  82          HD13      LEU  82  10.312  -1.875   1.527
  606   HD21  LEU  82          HD21      LEU  82  13.461   0.047   1.588
  607   HD22  LEU  82          HD22      LEU  82  13.344  -1.661   2.006
  608   HD23  LEU  82          HD23      LEU  82  12.108  -0.531   2.561
  609    H    ALA  83           H        ALA  83  13.710  -1.276  -3.517
  610    HA   ALA  83           HA       ALA  83  16.331  -2.357  -3.658
  611    HB1  ALA  83           HB1      ALA  83  15.880  -2.653  -6.018
  612    HB2  ALA  83           HB2      ALA  83  14.507  -1.563  -5.901
  613    HB3  ALA  83           HB3      ALA  83  14.461  -3.131  -5.071
  614    H    GLU  84           H        GLU  84  14.926   0.686  -4.366
  615    HA   GLU  84           HA       GLU  84  15.547   2.636  -5.142
  616    HB2  GLU  84           HB2      GLU  84  17.306   2.362  -3.318
  617    HB3  GLU  84           HB3      GLU  84  18.415   1.816  -4.570
  618    HG2  GLU  84           HG2      GLU  84  18.261   3.882  -5.688
  619    HG3  GLU  84           HG3      GLU  84  17.026   4.473  -4.580
  620    H    ALA  85           H        ALA  85  14.887   0.952  -6.869
  621    HA   ALA  85           HA       ALA  85  16.745   0.121  -8.841
  622    HB1  ALA  85           HB1      ALA  85  13.751   0.370  -9.062
  623    HB2  ALA  85           HB2      ALA  85  14.622  -1.029  -8.436
  624    HB3  ALA  85           HB3      ALA  85  14.806  -0.561 -10.125
  625    H    ALA  86           H        ALA  86  14.133   2.567  -9.104
  626    HA   ALA  86           HA       ALA  86  15.879   4.052 -10.887
  627    HB1  ALA  86           HB1      ALA  86  14.017   4.436 -12.448
  628    HB2  ALA  86           HB2      ALA  86  12.995   3.358 -11.500
  629    HB3  ALA  86           HB3      ALA  86  14.408   2.721 -12.339
  630    H28  SXA  87          H28A      SXA  87  -8.862  13.970   0.639
  631   H28A  SXA  87          H28B      SXA  87  -9.447  14.054  -1.024
  632    H30  SXA  87          H30A      SXA  87 -11.902  12.369  -0.596
  633   H30A  SXA  87          H30B      SXA  87 -11.818  13.868  -1.519
  634   H30B  SXA  87          H30C      SXA  87 -13.004  13.696  -0.226
  635    H31  SXA  87          H31A      SXA  87 -10.481  13.748   2.523
  636   H31A  SXA  87          H31B      SXA  87 -11.160  12.304   1.772
  637   H31B  SXA  87          H31C      SXA  87 -12.211  13.655   2.193
  638    H32  SXA  87          H32A      SXA  87 -10.867  16.029  -0.390
  639   HO33  SXA  87          H33A      SXA  87 -10.703  16.369   2.237
  640   HN36  SXA  87          H36A      SXA  87 -13.305  15.689  -0.666
  641    H37  SXA  87          H37A      SXA  87 -15.337  15.609   1.080
  642   H37A  SXA  87          H37B      SXA  87 -14.783  17.273   1.276
  643    H38  SXA  87          H38A      SXA  87 -15.692  16.009  -1.330
  644   H38A  SXA  87          H38B      SXA  87 -16.679  17.024  -0.302
  645   HN41  SXA  87          H41A      SXA  87 -13.603  18.186  -0.160
  646    H42  SXA  87          H42A      SXA  87 -13.473  19.829  -2.531
  647   H42A  SXA  87          H42B      SXA  87 -13.831  20.670  -1.026
  648    H43  SXA  87          H43A      SXA  87 -11.449  20.750  -1.339
  649   H43A  SXA  87          H43B      SXA  87 -11.407  19.004  -1.588
  650    H2   SXA  87           H2C      SXA  87  -9.933  20.044   2.878
  651    H2A  SXA  87           H2A      SXA  87  -8.417  19.471   2.174
  652    H2B  SXA  87           H2B      SXA  87  -9.755  18.344   2.420