*HEADER    TOXIN                                   24-MAY-11   2LDF              
*TITLE     SOLUTION STRUCTURE OF THE LONG SARAFOTOXIN SRTX-M                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SARAFOTOXIN-M;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: SRTX-M;                                                     
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: ATRACTASPIS MICROLEPIDOTA;                      
*SOURCE   4 ORGANISM_COMMON: SNAKES;                                             
*SOURCE   5 ORGANISM_TAXID: 172021                                               
*KEYWDS    ENDOTHELIN-LIKE PEPTIDE, TOXIN                                        
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    F.CORDIER, A.ZORBA, M.HAJJ, F.DUCANCEL, D.SERVENT, M.DELEPIERRE       
*REVDAT   1   21-SEP-11 2LDF    0                                                


 ASSI {    1}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      2.900     1.000     1.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.27774E-02 ppm1      8.891 ppm2      3.776 CV     1
 OR {    1}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
 ASSI {    2}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      2.200     0.600     0.600 peak     2 spectrum    1 weight  0.10000E+01 volume  0.11766E-01 ppm1      8.891 ppm2      4.319 CV     1
 ASSI {    3}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB1 ))
      2.700     0.900     0.900 peak     3 spectrum    1 weight  0.10000E+01 volume  0.32626E-02 ppm1      8.890 ppm2      3.272 CV     1
 ASSI {    4}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB2 ))
      2.900     1.000     1.000 peak     4 spectrum    1 weight  0.10000E+01 volume  0.46536E-02 ppm1      8.891 ppm2      3.318 CV     1
 ASSI {    6}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.700     0.900     0.900 peak     6 spectrum    1 weight  0.10000E+01 volume  0.35225E-02 ppm1      8.399 ppm2      4.800 CV     1
 ASSI {    7}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      2.500     0.800     0.800 peak     7 spectrum    1 weight  0.10000E+01 volume  0.61383E-02 ppm1      8.397 ppm2      2.767 CV     1
 ASSI {    8}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.000     1.100     1.100 peak     8 spectrum    1 weight  0.10000E+01 volume  0.28039E-02 ppm1      8.399 ppm2      3.169 CV     1
 ASSI {    9}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
      3.000     1.100     1.100 peak     9 spectrum    1 weight  0.10000E+01 volume  0.36584E-02 ppm1      8.401 ppm2      3.773 CV     1
 OR {    9}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI {   10}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      3.500     1.500     1.500 peak    10 spectrum    1 weight  0.10000E+01 volume  0.10521E-02 ppm1      8.399 ppm2      8.884 CV     1
 ASSI {   11}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.500     1.600     1.600 peak    11 spectrum    1 weight  0.10000E+01 volume  0.15070E-02 ppm1      8.397 ppm2      8.723 CV     1
 ASSI {   12}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak    12 spectrum    1 weight  0.10000E+01 volume  0.38978E-02 ppm1      8.728 ppm2      4.587 CV     1
 ASSI {   13}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.400     0.700     0.700 peak    13 spectrum    1 weight  0.10000E+01 volume  0.71662E-02 ppm1      8.728 ppm2      2.763 CV     1
 OR {   13}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {   14}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HD21))
      4.300     2.300     1.700 peak    14 spectrum    1 weight  0.10000E+01 volume  0.24331E-03 ppm1      8.736 ppm2      6.875 CV     1
 ASSI {   15}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HD22))
      4.900     3.000     1.100 peak    15 spectrum    1 weight  0.10000E+01 volume  0.19088E-03 ppm1      8.725 ppm2      7.571 CV     1
 ASSI {   16}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.700     3.700     2.300 peak    16 spectrum    1 weight  0.10000E+01 volume  0.29020E-03 ppm1      8.731 ppm2      4.656 CV     1
 ASSI {   17}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.200     0.600     0.600 peak    17 spectrum    1 weight  0.10000E+01 volume  0.10740E-01 ppm1      8.729 ppm2      4.798 CV     1
 ASSI {   18}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      2.800     1.000     1.000 peak    18 spectrum    1 weight  0.10000E+01 volume  0.28110E-02 ppm1      8.729 ppm2      3.167 CV     1
 ASSI {   21}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      3.000     1.100     1.100 peak    21 spectrum    1 weight  0.10000E+01 volume  0.19061E-02 ppm1      8.162 ppm2      4.147 CV     1
 ASSI {   22}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB  ))
      2.800     1.000     1.000 peak    22 spectrum    1 weight  0.10000E+01 volume  0.51325E-02 ppm1      8.162 ppm2      1.896 CV     1
 ASSI {   23}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG12))
      2.600     0.900     0.900 peak    23 spectrum    1 weight  0.10000E+01 volume  0.22604E-02 ppm1      8.163 ppm2      1.325 CV     1
 ASSI {   24}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG11))
      2.800     1.000     1.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.45777E-02 ppm1      8.163 ppm2      1.170 CV     1
 ASSI {   25}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      2.500     0.800     0.800 peak    25 spectrum    1 weight  0.10000E+01 volume  0.48063E-02 ppm1      8.163 ppm2      0.881 CV     1
 ASSI {   26}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HD1%)
      4.400     2.400     1.600 peak    26 spectrum    1 weight  0.10000E+01 volume  0.70734E-03 ppm1      8.160 ppm2      0.806 CV     1
 ASSI {   27}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.800     0.800 peak    27 spectrum    1 weight  0.10000E+01 volume  0.46491E-02 ppm1      8.095 ppm2      4.655 CV     1
 ASSI {   28}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.700     0.900     0.900 peak    28 spectrum    1 weight  0.10000E+01 volume  0.39124E-02 ppm1      8.093 ppm2      2.846 CV     1
 ASSI {   29}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HD21))
      3.500     1.500     1.500 peak    29 spectrum    1 weight  0.10000E+01 volume  0.60603E-03 ppm1      8.095 ppm2      6.917 CV     1
 ASSI {   30}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HD22))
      3.600     1.600     1.600 peak    30 spectrum    1 weight  0.10000E+01 volume  0.86313E-03 ppm1      8.094 ppm2      7.621 CV     1
 ASSI {   31}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.39169E-02 ppm1      8.093 ppm2      4.147 CV     1
 ASSI {   34}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak    34 spectrum    1 weight  0.10000E+01 volume  0.53868E-02 ppm1      8.265 ppm2      4.153 CV     1
 ASSI {   35}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.100     0.500     0.500 peak    35 spectrum    1 weight  0.10000E+01 volume  0.13201E-01 ppm1      8.265 ppm2      2.089 CV     1
 OR {   35}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {   36}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG2 ))
      3.200     1.300     1.300 peak    36 spectrum    1 weight  0.10000E+01 volume  0.35535E-02 ppm1      8.265 ppm2      2.446 CV     1
 OR {   36}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG1 ))
 ASSI {   37}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.900     1.900     1.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.12057E-02 ppm1      8.262 ppm2      3.135 CV     1
 ASSI {   38}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak    38 spectrum    1 weight  0.10000E+01 volume  0.36731E-02 ppm1      8.267 ppm2      7.698 CV     1
 ASSI {   39}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.500     0.800     0.800 peak    39 spectrum    1 weight  0.10000E+01 volume  0.39364E-02 ppm1      7.703 ppm2      4.257 CV     1
 ASSI {   40}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.300     0.600     0.600 peak    40 spectrum    1 weight  0.10000E+01 volume  0.82555E-02 ppm1      7.703 ppm2      3.070 CV     1
 ASSI {   41}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.200     0.600     0.600 peak    41 spectrum    1 weight  0.10000E+01 volume  0.10535E-01 ppm1      7.703 ppm2      3.145 CV     1
 ASSI {   42}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      4.500     2.500     1.500 peak    42 spectrum    1 weight  0.10000E+01 volume  0.34211E-03 ppm1      7.701 ppm2      2.769 CV     1
 ASSI {   43}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.200     1.300     1.300 peak    43 spectrum    1 weight  0.10000E+01 volume  0.13920E-02 ppm1      7.702 ppm2      4.152 CV     1
 ASSI {   44}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG2 ))
      3.600     1.600     1.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.89424E-03 ppm1      7.702 ppm2      2.450 CV     1
 OR {   44}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG1 ))
 ASSI {   45}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.700     0.900     0.900 peak    45 spectrum    1 weight  0.10000E+01 volume  0.30297E-02 ppm1      7.702 ppm2      2.091 CV     1
 OR {   45}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {   47}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.700     0.900     0.900 peak    47 spectrum    1 weight  0.10000E+01 volume  0.29257E-02 ppm1      7.702 ppm2      8.129 CV     1
 ASSI {   49}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.300     0.700     0.700 peak    49 spectrum    1 weight  0.10000E+01 volume  0.66482E-02 ppm1      8.133 ppm2      4.137 CV     1
 ASSI {   50}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.500     0.800     0.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.44543E-02 ppm1      8.133 ppm2      1.895 CV     1
 ASSI {   51}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      3.100     1.200     1.200 peak    51 spectrum    1 weight  0.10000E+01 volume  0.34977E-02 ppm1      8.133 ppm2      2.000 CV     1
 ASSI {   52}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      2.200     0.600     0.600 peak    52 spectrum    1 weight  0.10000E+01 volume  0.80981E-02 ppm1      8.133 ppm2      2.472 CV     1
 OR {   52}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {   53}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.400     0.700     0.700 peak    53 spectrum    1 weight  0.10000E+01 volume  0.36263E-02 ppm1      8.133 ppm2      3.072 CV     1
 ASSI {   54}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.600     1.600     1.600 peak    54 spectrum    1 weight  0.10000E+01 volume  0.27315E-02 ppm1      8.131 ppm2      3.151 CV     1
 ASSI {   57}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.300     0.700     0.700 peak    57 spectrum    1 weight  0.10000E+01 volume  0.59656E-02 ppm1      7.819 ppm2      4.250 CV     1
 ASSI {   58}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      1.900     0.500     0.500 peak    58 spectrum    1 weight  0.10000E+01 volume  0.16206E-01 ppm1      7.820 ppm2      2.927 CV     1
 OR {   58}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
 ASSI {   60}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      4.500     2.600     1.500 peak    60 spectrum    1 weight  0.10000E+01 volume  0.27986E-03 ppm1      7.818 ppm2      2.092 CV     1
 OR {   60}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {   61}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.100     1.100 peak    61 spectrum    1 weight  0.10000E+01 volume  0.20515E-02 ppm1      7.819 ppm2      4.136 CV     1
 ASSI {   62}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.600     1.600     1.600 peak    62 spectrum    1 weight  0.10000E+01 volume  0.22614E-02 ppm1      7.820 ppm2      1.899 CV     1
 ASSI {   63}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      2.600     0.900     0.900 peak    63 spectrum    1 weight  0.10000E+01 volume  0.17501E-02 ppm1      7.819 ppm2      2.470 CV     1
 OR {   63}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {   64}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.600     0.800     0.800 peak    64 spectrum    1 weight  0.10000E+01 volume  0.38805E-02 ppm1      7.819 ppm2      8.129 CV     1
 ASSI {   65}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.800     1.000     1.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.15825E-02 ppm1      7.820 ppm2      7.973 CV     1
 ASSI {   66}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.500     1.500     1.500 peak    66 spectrum    1 weight  0.10000E+01 volume  0.69553E-03 ppm1      7.826 ppm2      8.298 CV     1
 ASSI {   67}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 15   and name HN  ))
      4.500     2.600     1.500 peak    67 spectrum    1 weight  0.10000E+01 volume  0.17149E-03 ppm1      6.780 ppm2      8.288 CV     1
 ASSI {   69}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 14   and name HN  ))
      2.800     1.000     1.000 peak    69 spectrum    1 weight  0.10000E+01 volume  0.15545E-02 ppm1      6.781 ppm2      7.974 CV     1
 ASSI {   70}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HN  ))
      3.300     1.400     1.400 peak    70 spectrum    1 weight  0.10000E+01 volume  0.14306E-02 ppm1      6.779 ppm2      7.816 CV     1
 ASSI {   71}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 14   and name HN  ))
      3.700     3.700     2.300 peak    71 spectrum    1 weight  0.10000E+01 volume  0.27080E-03 ppm1      6.688 ppm2      7.969 CV     1
 ASSI {   73}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.300     0.600     0.600 peak    73 spectrum    1 weight  0.10000E+01 volume  0.66947E-02 ppm1      7.973 ppm2      4.265 CV     1
 ASSI {   74}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.000     1.100     1.100 peak    74 spectrum    1 weight  0.10000E+01 volume  0.46706E-02 ppm1      7.975 ppm2      3.177 CV     1
 ASSI {   75}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.300     0.700     0.700 peak    75 spectrum    1 weight  0.10000E+01 volume  0.55724E-02 ppm1      7.975 ppm2      3.089 CV     1
 ASSI {   77}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.600     1.600     1.600 peak    77 spectrum    1 weight  0.10000E+01 volume  0.96991E-03 ppm1      7.974 ppm2      4.145 CV     1
 ASSI {   78}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.200     0.600     0.600 peak    78 spectrum    1 weight  0.10000E+01 volume  0.76620E-02 ppm1      7.974 ppm2      2.920 CV     1
 OR {   78}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {   81}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.300     0.700     0.700 peak    81 spectrum    1 weight  0.10000E+01 volume  0.59109E-02 ppm1      7.975 ppm2      8.303 CV     1
 ASSI {   82}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.300     1.300     1.300 peak    82 spectrum    1 weight  0.10000E+01 volume  0.13431E-02 ppm1      7.976 ppm2      8.121 CV     1
 ASSI {   83}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.700     1.700     1.700 peak    83 spectrum    1 weight  0.10000E+01 volume  0.58114E-03 ppm1      7.976 ppm2      7.710 CV     1
 ASSI {   84}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 15   and name HN  ))
      3.400     1.400     1.400 peak    84 spectrum    1 weight  0.10000E+01 volume  0.94476E-03 ppm1      7.296 ppm2      8.301 CV     1
 ASSI {   85}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 14   and name HN  ))
      2.300     0.700     0.700 peak    85 spectrum    1 weight  0.10000E+01 volume  0.23111E-02 ppm1      7.293 ppm2      7.974 CV     1
 ASSI {   86}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 13   and name HN  ))
      3.400     1.400     1.400 peak    86 spectrum    1 weight  0.10000E+01 volume  0.62644E-03 ppm1      7.291 ppm2      7.815 CV     1
 ASSI {   87}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 11   and name HN  ))
      3.400     1.400     1.400 peak    87 spectrum    1 weight  0.10000E+01 volume  0.59904E-03 ppm1      7.297 ppm2      7.699 CV     1
 ASSI {   89}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 14   and name HN  ))
      3.400     1.500     1.500 peak    89 spectrum    1 weight  0.10000E+01 volume  0.88593E-03 ppm1      7.369 ppm2      7.985 CV     1
 ASSI {   90}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 11   and name HN  ))
      4.000     2.000     2.000 peak    90 spectrum    1 weight  0.10000E+01 volume  0.59893E-03 ppm1      7.376 ppm2      7.702 CV     1
 ASSI {   91}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 15   and name HN  ))
      3.300     1.400     1.400 peak    91 spectrum    1 weight  0.10000E+01 volume  0.51380E-03 ppm1      7.381 ppm2      8.295 CV     1
 ASSI {   93}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.300     0.700     0.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.71890E-02 ppm1      8.308 ppm2      2.951 CV     1
 ASSI {   94}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.200     0.600     0.600 peak    94 spectrum    1 weight  0.10000E+01 volume  0.84724E-02 ppm1      8.308 ppm2      3.184 CV     1
 ASSI {   95}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.000     1.100     1.100 peak    95 spectrum    1 weight  0.10000E+01 volume  0.23562E-02 ppm1      8.305 ppm2      4.128 CV     1
 ASSI {   96}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      3.300     3.300     2.700 peak    96 spectrum    1 weight  0.10000E+01 volume  0.53167E-03 ppm1      8.302 ppm2      2.462 CV     1
 ASSI {   97}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.900     0.900 peak    97 spectrum    1 weight  0.10000E+01 volume  0.33626E-02 ppm1      8.307 ppm2      4.267 CV     1
 ASSI {   98}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.100     1.200     1.200 peak    98 spectrum    1 weight  0.10000E+01 volume  0.29267E-02 ppm1      8.308 ppm2      3.090 CV     1
 ASSI {  101}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.200     0.600     0.600 peak   101 spectrum    1 weight  0.10000E+01 volume  0.78621E-02 ppm1      8.017 ppm2      3.190 CV     1
 ASSI {  102}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak   102 spectrum    1 weight  0.10000E+01 volume  0.37977E-02 ppm1      8.017 ppm2      3.256 CV     1
 ASSI {  104}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      4.200     2.200     1.800 peak   104 spectrum    1 weight  0.10000E+01 volume  0.31657E-03 ppm1      8.013 ppm2      4.262 CV     1
 ASSI {  105}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.700     2.700     3.300 peak   105 spectrum    1 weight  0.10000E+01 volume  0.18370E-02 ppm1      8.018 ppm2      2.948 CV     1
 ASSI {  106}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.500     1.600     1.600 peak   106 spectrum    1 weight  0.10000E+01 volume  0.20403E-02 ppm1      8.013 ppm2      1.892 CV     1
 ASSI {  107}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      5.400     3.600     0.600 peak   107 spectrum    1 weight  0.10000E+01 volume  0.24236E-03 ppm1      8.018 ppm2      2.198 CV     1
 OR {  107}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  108}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.600     0.900     0.900 peak   108 spectrum    1 weight  0.10000E+01 volume  0.29858E-02 ppm1      8.017 ppm2      8.303 CV     1
 ASSI {  109}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.400     0.700     0.700 peak   109 spectrum    1 weight  0.10000E+01 volume  0.37326E-02 ppm1      8.017 ppm2      8.125 CV     1
 ASSI {  110}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     3.300     2.700 peak   110 spectrum    1 weight  0.10000E+01 volume  0.51708E-03 ppm1      7.159 ppm2      7.825 CV     1
 ASSI {  111}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 15   and name HN  ))
      4.500     2.500     1.500 peak   111 spectrum    1 weight  0.10000E+01 volume  0.21359E-03 ppm1      7.173 ppm2      8.303 CV     1
 ASSI {  112}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HN  ))
      2.700     0.900     0.900 peak   112 spectrum    1 weight  0.10000E+01 volume  0.19445E-02 ppm1      7.170 ppm2      8.016 CV     1
 ASSI {  113}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 17   and name HN  ))
      4.100     2.100     1.900 peak   113 spectrum    1 weight  0.10000E+01 volume  0.48579E-03 ppm1      7.174 ppm2      8.128 CV     1
 ASSI {  114}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.800     1.000     1.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.25701E-02 ppm1      8.129 ppm2      4.214 CV     1
 ASSI {  115}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.200     0.600     0.600 peak   115 spectrum    1 weight  0.10000E+01 volume  0.78922E-02 ppm1      8.129 ppm2      1.895 CV     1
 ASSI {  116}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.500     0.800     0.800 peak   116 spectrum    1 weight  0.10000E+01 volume  0.44144E-02 ppm1      8.129 ppm2      2.015 CV     1
 ASSI {  117}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.300     1.400     1.400 peak   117 spectrum    1 weight  0.10000E+01 volume  0.30506E-02 ppm1      8.129 ppm2      2.195 CV     1
 OR {  117}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  118}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.600     0.900     0.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.44660E-02 ppm1      8.129 ppm2      4.561 CV     1
 ASSI {  119}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      3.000     1.100     1.100 peak   119 spectrum    1 weight  0.10000E+01 volume  0.26230E-02 ppm1      8.130 ppm2      3.259 CV     1
 ASSI {  122}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      2.900     1.000     1.000 peak   122 spectrum    1 weight  0.10000E+01 volume  0.32948E-02 ppm1      8.300 ppm2      2.722 CV     1
 ASSI {  123}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.900     1.100     1.100 peak   123 spectrum    1 weight  0.10000E+01 volume  0.22523E-02 ppm1      8.301 ppm2      2.834 CV     1
 ASSI {  124}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      3.000     1.100     1.100 peak   124 spectrum    1 weight  0.10000E+01 volume  0.24867E-02 ppm1      8.301 ppm2      4.213 CV     1
 ASSI {  125}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.100     1.200     1.200 peak   125 spectrum    1 weight  0.10000E+01 volume  0.94586E-03 ppm1      8.301 ppm2      1.895 CV     1
 ASSI {  126}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.600     1.600     1.600 peak   126 spectrum    1 weight  0.10000E+01 volume  0.20550E-02 ppm1      8.301 ppm2      2.013 CV     1
 ASSI {  127}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.600     1.600     1.600 peak   127 spectrum    1 weight  0.10000E+01 volume  0.95976E-03 ppm1      8.304 ppm2      2.195 CV     1
 OR {  127}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  128}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      3.800     1.800     1.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.50437E-03 ppm1      8.305 ppm2      0.768 CV     1
 ASSI {  129}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.400     0.700     0.700 peak   129 spectrum    1 weight  0.10000E+01 volume  0.69401E-02 ppm1      8.302 ppm2      8.127 CV     1
 ASSI {  130}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.300     1.400     1.400 peak   130 spectrum    1 weight  0.10000E+01 volume  0.20606E-02 ppm1      8.301 ppm2      7.863 CV     1
 ASSI {  131}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.900     1.100     1.100 peak   131 spectrum    1 weight  0.10000E+01 volume  0.20845E-02 ppm1      7.859 ppm2      4.018 CV     1
 ASSI {  132}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      2.600     0.900     0.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.44599E-02 ppm1      7.867 ppm2      1.894 CV     1
 ASSI {  133}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      3.500     1.500     1.500 peak   133 spectrum    1 weight  0.10000E+01 volume  0.11343E-02 ppm1      7.867 ppm2      0.688 CV     1
 ASSI {  134}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      2.500     0.800     0.800 peak   134 spectrum    1 weight  0.10000E+01 volume  0.40421E-02 ppm1      7.867 ppm2      0.776 CV     1
 ASSI {  135}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
      4.000     2.000     2.000 peak   135 spectrum    1 weight  0.10000E+01 volume  0.18447E-03 ppm1      7.875 ppm2      2.195 CV     1
 ASSI {  136}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.500     0.800     0.800 peak   136 spectrum    1 weight  0.10000E+01 volume  0.57728E-02 ppm1      7.870 ppm2      4.602 CV     1
 ASSI {  137}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.400     1.400     1.400 peak   137 spectrum    1 weight  0.10000E+01 volume  0.14014E-02 ppm1      7.872 ppm2      2.726 CV     1
 ASSI {  138}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.800     1.800     1.800 peak   138 spectrum    1 weight  0.10000E+01 volume  0.10698E-02 ppm1      7.873 ppm2      2.833 CV     1
 ASSI {  141}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak   141 spectrum    1 weight  0.10000E+01 volume  0.46358E-02 ppm1      7.982 ppm2      4.070 CV     1
 ASSI {  142}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      2.900     1.000     1.000 peak   142 spectrum    1 weight  0.10000E+01 volume  0.39182E-02 ppm1      7.982 ppm2      1.732 CV     1
 ASSI {  143}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG11))
      2.500     0.800     0.800 peak   143 spectrum    1 weight  0.10000E+01 volume  0.21290E-02 ppm1      7.982 ppm2      1.050 CV     1
 ASSI {  144}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG12))
      3.600     1.600     1.600 peak   144 spectrum    1 weight  0.10000E+01 volume  0.20317E-02 ppm1      7.982 ppm2      1.313 CV     1
 ASSI {  145}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      2.800     1.000     1.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.30186E-02 ppm1      7.985 ppm2      0.745 CV     1
 OR {  145}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HD1%)
 ASSI {  146}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.000     0.500     0.500 peak   146 spectrum    1 weight  0.10000E+01 volume  0.14090E-01 ppm1      7.983 ppm2      4.018 CV     1
 ASSI {  147}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      3.000     3.000     3.000 peak   147 spectrum    1 weight  0.10000E+01 volume  0.29072E-02 ppm1      7.983 ppm2      1.895 CV     1
 ASSI {  148}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      3.100     1.200     1.200 peak   148 spectrum    1 weight  0.10000E+01 volume  0.18533E-02 ppm1      7.984 ppm2      0.691 CV     1
 ASSI {  149}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.100     1.200     1.200 peak   149 spectrum    1 weight  0.10000E+01 volume  0.29438E-02 ppm1      7.975 ppm2      7.865 CV     1
 ASSI {  150}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.600     0.900     0.900 peak   150 spectrum    1 weight  0.10000E+01 volume  0.39210E-02 ppm1      8.052 ppm2      4.610 CV     1
 ASSI {  151}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.500     1.500     1.500 peak   151 spectrum    1 weight  0.10000E+01 volume  0.22073E-02 ppm1      8.052 ppm2      3.131 CV     1
 ASSI {  152}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.900     1.000     1.000 peak   152 spectrum    1 weight  0.10000E+01 volume  0.18086E-02 ppm1      8.052 ppm2      3.201 CV     1
 ASSI {  154}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HE3 ))
      4.700     2.800     1.300 peak   154 spectrum    1 weight  0.10000E+01 volume  0.32423E-03 ppm1      8.050 ppm2      7.529 CV     1
 ASSI {  155}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.900     1.100     1.100 peak   155 spectrum    1 weight  0.10000E+01 volume  0.22921E-02 ppm1      8.053 ppm2      4.071 CV     1
 ASSI {  156}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      3.000     3.000     3.000 peak   156 spectrum    1 weight  0.10000E+01 volume  0.25770E-02 ppm1      8.054 ppm2      1.730 CV     1
 ASSI {  157}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG11))
      4.000     2.000     2.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.32000E-03 ppm1      8.051 ppm2      1.056 CV     1
 ASSI {  158}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG12))
      4.700     2.800     1.300 peak   158 spectrum    1 weight  0.10000E+01 volume  0.57149E-03 ppm1      8.051 ppm2      1.314 CV     1
 ASSI {  159}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HD1%)
      2.800     1.000     1.000 peak   159 spectrum    1 weight  0.10000E+01 volume  0.29202E-02 ppm1      8.052 ppm2      0.741 CV     1
 OR {  159}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
 ASSI {  160}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HN  ))
      3.000     1.100     1.100 peak   160 spectrum    1 weight  0.10000E+01 volume  0.18155E-02 ppm1      7.162 ppm2      8.046 CV     1
 ASSI {  161}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 22   and name HN  ))
      3.500     1.500     1.500 peak   161 spectrum    1 weight  0.10000E+01 volume  0.14306E-02 ppm1      7.534 ppm2      8.017 CV     1
 ASSI {  162}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.300     1.400     1.400 peak   162 spectrum    1 weight  0.10000E+01 volume  0.15328E-02 ppm1      8.011 ppm2      2.534 CV     1
 ASSI {  163}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.300     1.300     1.300 peak   163 spectrum    1 weight  0.10000E+01 volume  0.14331E-02 ppm1      8.011 ppm2      2.581 CV     1
 ASSI {  164}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.100     0.500     0.500 peak   164 spectrum    1 weight  0.10000E+01 volume  0.15850E-01 ppm1      8.011 ppm2      4.607 CV     1
 ASSI {  165}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      3.100     1.200     1.200 peak   165 spectrum    1 weight  0.10000E+01 volume  0.15454E-02 ppm1      7.830 ppm2      4.463 CV     1
 ASSI {  166}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      3.000     1.100     1.100 peak   166 spectrum    1 weight  0.10000E+01 volume  0.25386E-02 ppm1      7.830 ppm2      1.767 CV     1
 ASSI {  167}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.800     1.000     1.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.30143E-02 ppm1      7.828 ppm2      1.990 CV     1
 ASSI {  168}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG1 ))
      4.400     2.400     1.600 peak   168 spectrum    1 weight  0.10000E+01 volume  0.34130E-03 ppm1      7.833 ppm2      2.359 CV     1
 OR {  168}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HG2 ))
 ASSI {  169}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   169 spectrum    1 weight  0.10000E+01 volume  0.32195E-02 ppm1      7.832 ppm2      4.548 CV     1
 ASSI {  170}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.900     1.900     1.900 peak   170 spectrum    1 weight  0.10000E+01 volume  0.58225E-03 ppm1      7.831 ppm2      2.580 CV     1
 ASSI {  171}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.400     1.400     1.400 peak   171 spectrum    1 weight  0.10000E+01 volume  0.99675E-03 ppm1      7.829 ppm2      2.536 CV     1
 ASSI {  172}
   (  segid "    " and resid 13   and name HD% )
   (  segid "    " and resid 13   and name HE% )
      1.500     0.300     0.700 peak   172 spectrum    1 weight  0.10000E+01 volume  0.13241E-01 ppm1      6.777 ppm2      6.682 CV     1
 ASSI {  173}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak   173 spectrum    1 weight  0.10000E+01 volume  0.15207E-02 ppm1      6.782 ppm2      4.151 CV     1
 ASSI {  174}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HA  ))
      2.300     0.600     0.600 peak   174 spectrum    1 weight  0.10000E+01 volume  0.38196E-02 ppm1      6.781 ppm2      4.253 CV     1
 ASSI {  175}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HB1 ))
      1.700     0.400     0.500 peak   175 spectrum    1 weight  0.10000E+01 volume  0.16747E-01 ppm1      6.783 ppm2      2.925 CV     1
 OR {  175}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  176}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 10   and name HG1 ))
      2.700     0.900     0.900 peak   176 spectrum    1 weight  0.10000E+01 volume  0.14721E-02 ppm1      6.781 ppm2      2.454 CV     1
 OR {  176}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 10   and name HG2 ))
 ASSI {  177}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 17   and name HG1 ))
      3.800     1.800     1.800 peak   177 spectrum    1 weight  0.10000E+01 volume  0.30318E-03 ppm1      6.776 ppm2      2.194 CV     1
 OR {  177}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  178}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 10   and name HB2 ))
      3.200     3.200     2.800 peak   178 spectrum    1 weight  0.10000E+01 volume  0.69987E-03 ppm1      6.776 ppm2      2.093 CV     1
 OR {  178}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {  181}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 14   and name HB1 ))
      2.600     0.900     0.900 peak   181 spectrum    1 weight  0.10000E+01 volume  0.11199E-02 ppm1      6.778 ppm2      3.088 CV     1
 ASSI {  182}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 14   and name HB2 ))
      4.100     2.100     1.900 peak   182 spectrum    1 weight  0.10000E+01 volume  0.42766E-03 ppm1      6.786 ppm2      3.178 CV     1
 ASSI {  184}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 10   and name HA  ))
      3.500     3.500     2.500 peak   184 spectrum    1 weight  0.10000E+01 volume  0.38129E-03 ppm1      6.687 ppm2      4.154 CV     1
 ASSI {  185}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 13   and name HA  ))
      2.800     2.800     3.200 peak   185 spectrum    1 weight  0.10000E+01 volume  0.14545E-02 ppm1      6.687 ppm2      4.254 CV     1
 ASSI {  186}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 13   and name HB1 ))
      2.600     2.600     3.400 peak   186 spectrum    1 weight  0.10000E+01 volume  0.35266E-02 ppm1      6.687 ppm2      2.928 CV     1
 OR {  186}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  187}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 10   and name HG1 ))
      3.300     3.300     2.700 peak   187 spectrum    1 weight  0.10000E+01 volume  0.51811E-03 ppm1      6.687 ppm2      2.445 CV     1
 OR {  187}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 10   and name HG2 ))
 ASSI {  188}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 17   and name HG1 ))
      3.500     3.500     2.500 peak   188 spectrum    1 weight  0.10000E+01 volume  0.37581E-03 ppm1      6.690 ppm2      2.194 CV     1
 OR {  188}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  189}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 17   and name HB1 ))
      4.000     2.000     2.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.18053E-03 ppm1      6.688 ppm2      1.895 CV     1
 ASSI {  190}
   (  segid "    " and resid 13   and name HE% )
   (  segid "    " and resid 12   and name HE% )
      3.800     1.800     1.800 peak   190 spectrum    1 weight  0.10000E+01 volume  0.23325E-03 ppm1      6.685 ppm2      1.962 CV     1
 ASSI {  191}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
      3.700     1.800     1.800 peak   191 spectrum    1 weight  0.10000E+01 volume  0.25981E-03 ppm1      6.690 ppm2      3.192 CV     1
 ASSI {  192}
   (  segid "    " and resid 14   and name HD% )
   (  segid "    " and resid 14   and name HE% )
      1.400     0.200     0.800 peak   192 spectrum    1 weight  0.10000E+01 volume  0.18944E-01 ppm1      7.293 ppm2      7.361 CV     1
 ASSI {  193}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 15   and name HA  ))
      3.200     1.200     1.200 peak   193 spectrum    1 weight  0.10000E+01 volume  0.80180E-03 ppm1      7.294 ppm2      4.575 CV     1
 ASSI {  195}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 10   and name HA  ))
      3.200     1.300     1.300 peak   195 spectrum    1 weight  0.10000E+01 volume  0.83305E-03 ppm1      7.292 ppm2      4.153 CV     1
 ASSI {  196}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 14   and name HB1 ))
      2.100     0.500     0.500 peak   196 spectrum    1 weight  0.10000E+01 volume  0.80033E-02 ppm1      7.294 ppm2      3.090 CV     1
 ASSI {  197}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 14   and name HB2 ))
      1.800     0.400     0.400 peak   197 spectrum    1 weight  0.10000E+01 volume  0.88394E-02 ppm1      7.293 ppm2      3.180 CV     1
 ASSI {  198}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 15   and name HB1 ))
      3.200     3.200     2.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.21276E-02 ppm1      7.293 ppm2      2.933 CV     1
 ASSI {  199}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 3    and name HB1 ))
      3.700     1.700     1.700 peak   199 spectrum    1 weight  0.10000E+01 volume  0.41990E-03 ppm1      7.295 ppm2      2.764 CV     1
 ASSI {  200}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 10   and name HG2 ))
      2.600     0.800     0.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.16120E-02 ppm1      7.294 ppm2      2.444 CV     1
 OR {  200}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 10   and name HG1 ))
 ASSI {  201}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 17   and name HG1 ))
      3.600     1.600     1.600 peak   201 spectrum    1 weight  0.10000E+01 volume  0.50683E-03 ppm1      7.291 ppm2      2.199 CV     1
 OR {  201}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  202}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 10   and name HB1 ))
      2.800     2.800     3.200 peak   202 spectrum    1 weight  0.10000E+01 volume  0.15721E-02 ppm1      7.294 ppm2      2.090 CV     1
 OR {  202}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  203}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 17   and name HB1 ))
      3.200     1.300     1.300 peak   203 spectrum    1 weight  0.10000E+01 volume  0.65945E-03 ppm1      7.291 ppm2      1.906 CV     1
 ASSI {  204}
   (  segid "    " and resid 14   and name HD% )
   (  segid "    " and resid 12   and name HE% )
      5.400     3.600     0.600 peak   204 spectrum    1 weight  0.10000E+01 volume  0.66522E-04 ppm1      7.292 ppm2      1.953 CV     1
 ASSI {  205}
   (  segid "    " and resid 14   and name HD% )
   (  segid "    " and resid 6    and name HG2%)
      4.300     2.300     1.700 peak   205 spectrum    1 weight  0.10000E+01 volume  0.10942E-03 ppm1      7.281 ppm2      0.871 CV     1
 ASSI {  206}
   (  segid "    " and resid 14   and name HD% )
   (  segid "    " and resid 6    and name HD1%)
      3.400     1.400     1.400 peak   206 spectrum    1 weight  0.10000E+01 volume  0.46530E-03 ppm1      7.293 ppm2      0.805 CV     1
 ASSI {  208}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 15   and name HA  ))
      3.200     1.300     1.300 peak   208 spectrum    1 weight  0.10000E+01 volume  0.65690E-03 ppm1      7.373 ppm2      4.578 CV     1
 ASSI {  209}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak   209 spectrum    1 weight  0.10000E+01 volume  0.17856E-02 ppm1      7.362 ppm2      4.268 CV     1
 ASSI {  210}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 10   and name HA  ))
      3.300     3.300     2.700 peak   210 spectrum    1 weight  0.10000E+01 volume  0.60259E-03 ppm1      7.366 ppm2      4.158 CV     1
 ASSI {  211}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 14   and name HB1 ))
      2.800     2.800     3.200 peak   211 spectrum    1 weight  0.10000E+01 volume  0.25342E-02 ppm1      7.363 ppm2      3.089 CV     1
 ASSI {  212}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
      2.600     2.600     3.400 peak   212 spectrum    1 weight  0.10000E+01 volume  0.32472E-02 ppm1      7.363 ppm2      3.178 CV     1
 ASSI {  213}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 15   and name HB1 ))
      3.100     3.100     2.900 peak   213 spectrum    1 weight  0.10000E+01 volume  0.80820E-03 ppm1      7.370 ppm2      2.933 CV     1
 OR {  213}
   (( segid "    " and resid 14   and name HZ  ))
   (( segid "    " and resid 15   and name HB1 ))
 ASSI {  214}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 10   and name HG2 ))
      2.600     0.900     0.900 peak   214 spectrum    1 weight  0.10000E+01 volume  0.14341E-02 ppm1      7.369 ppm2      2.442 CV     1
 ASSI {  215}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 17   and name HG1 ))
      4.300     2.300     1.700 peak   215 spectrum    1 weight  0.10000E+01 volume  0.11977E-03 ppm1      7.365 ppm2      2.198 CV     1
 OR {  215}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  216}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 10   and name HB1 ))
      2.800     2.800     3.200 peak   216 spectrum    1 weight  0.10000E+01 volume  0.15140E-02 ppm1      7.365 ppm2      2.086 CV     1
 OR {  216}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  217}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 17   and name HB1 ))
      3.800     3.800     2.200 peak   217 spectrum    1 weight  0.10000E+01 volume  0.24141E-03 ppm1      7.366 ppm2      1.890 CV     1
 ASSI {  218}
   (  segid "    " and resid 14   and name HE% )
   (  segid "    " and resid 6    and name HG2%)
      4.900     3.000     1.100 peak   218 spectrum    1 weight  0.10000E+01 volume  0.50762E-04 ppm1      7.369 ppm2      0.875 CV     1
 ASSI {  219}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HE1 ))
      5.400     3.600     0.600 peak   219 spectrum    1 weight  0.10000E+01 volume  0.10652E-03 ppm1      7.185 ppm2      8.472 CV     1
 ASSI {  220}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HA  ))
      4.200     2.200     1.800 peak   220 spectrum    1 weight  0.10000E+01 volume  0.91122E-03 ppm1      7.174 ppm2      4.560 CV     1
 ASSI {  221}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
      3.700     1.700     1.700 peak   221 spectrum    1 weight  0.10000E+01 volume  0.85107E-03 ppm1      7.174 ppm2      4.124 CV     1
 ASSI {  222}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.400     1.400     1.400 peak   222 spectrum    1 weight  0.10000E+01 volume  0.72481E-03 ppm1      7.174 ppm2      4.255 CV     1
 ASSI {  223}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 15   and name HB1 ))
      3.700     1.700     1.700 peak   223 spectrum    1 weight  0.10000E+01 volume  0.70645E-03 ppm1      7.175 ppm2      2.950 CV     1
 ASSI {  224}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 12   and name HG1 ))
      3.500     3.500     2.500 peak   224 spectrum    1 weight  0.10000E+01 volume  0.39312E-03 ppm1      7.171 ppm2      2.466 CV     1
 ASSI {  225}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 17   and name HG1 ))
      5.000     3.100     1.000 peak   225 spectrum    1 weight  0.10000E+01 volume  0.27532E-03 ppm1      7.164 ppm2      2.194 CV     1
 OR {  225}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  226}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 17   and name HB1 ))
      4.100     2.100     1.900 peak   226 spectrum    1 weight  0.10000E+01 volume  0.72022E-03 ppm1      7.173 ppm2      1.895 CV     1
 ASSI {  227}
   (( segid "    " and resid 16   and name HD2 ))
   (  segid "    " and resid 12   and name HE% )
      3.300     1.400     1.400 peak   227 spectrum    1 weight  0.10000E+01 volume  0.84577E-03 ppm1      7.174 ppm2      1.958 CV     1
 ASSI {  228}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HB2 ))
      3.700     1.700     1.700 peak   228 spectrum    1 weight  0.10000E+01 volume  0.12077E-02 ppm1      7.175 ppm2      3.257 CV     1
 ASSI {  229}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 17   and name HB2 ))
      4.100     2.100     1.900 peak   229 spectrum    1 weight  0.10000E+01 volume  0.38487E-03 ppm1      7.176 ppm2      2.014 CV     1
 ASSI {  230}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HE1 ))
      3.000     1.100     1.100 peak   230 spectrum    1 weight  0.10000E+01 volume  0.20644E-02 ppm1      7.160 ppm2     10.007 CV     1
 ASSI {  231}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HA  ))
      3.600     1.600     1.600 peak   231 spectrum    1 weight  0.10000E+01 volume  0.11126E-02 ppm1      7.160 ppm2      4.616 CV     1
 ASSI {  232}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HB1 ))
      3.100     1.200     1.200 peak   232 spectrum    1 weight  0.10000E+01 volume  0.44698E-02 ppm1      7.162 ppm2      3.133 CV     1
 ASSI {  234}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 20   and name HB  ))
      3.700     1.700     1.700 peak   234 spectrum    1 weight  0.10000E+01 volume  0.27344E-03 ppm1      7.161 ppm2      1.739 CV     1
 ASSI {  235}
   (( segid "    " and resid 21   and name HD1 ))
   (  segid "    " and resid 20   and name HD1%)
      3.200     1.300     1.300 peak   235 spectrum    1 weight  0.10000E+01 volume  0.11836E-02 ppm1      7.163 ppm2      0.743 CV     1
 ASSI {  236}
   (( segid "    " and resid 21   and name HD1 ))
   (  segid "    " and resid 19   and name HG1%)
      3.300     1.400     1.400 peak   236 spectrum    1 weight  0.10000E+01 volume  0.90762E-03 ppm1      7.162 ppm2      0.690 CV     1
 ASSI {  237}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 20   and name HA  ))
      3.500     3.500     2.500 peak   237 spectrum    1 weight  0.10000E+01 volume  0.36652E-03 ppm1      7.161 ppm2      4.072 CV     1
 ASSI {  238}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 20   and name HG12))
      6.000     4.500     0.000 peak   238 spectrum    1 weight  0.10000E+01 volume  0.11498E-03 ppm1      7.161 ppm2      1.315 CV     1
 ASSI {  239}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 19   and name HA  ))
      4.800     2.900     1.200 peak   239 spectrum    1 weight  0.10000E+01 volume  0.15883E-03 ppm1      7.160 ppm2      4.007 CV     1
 ASSI {  245}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 21   and name HA  ))
      3.300     1.400     1.400 peak   245 spectrum    1 weight  0.10000E+01 volume  0.11926E-02 ppm1      7.533 ppm2      4.614 CV     1
 ASSI {  246}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 21   and name HB1 ))
      2.700     0.900     0.900 peak   246 spectrum    1 weight  0.10000E+01 volume  0.31725E-02 ppm1      7.533 ppm2      3.134 CV     1
 ASSI {  247}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 21   and name HB2 ))
      3.700     1.700     1.700 peak   247 spectrum    1 weight  0.10000E+01 volume  0.26381E-02 ppm1      7.533 ppm2      3.205 CV     1
 ASSI {  248}
   (( segid "    " and resid 21   and name HE3 ))
   (  segid "    " and resid 20   and name HD1%)
      4.600     2.700     1.400 peak   248 spectrum    1 weight  0.10000E+01 volume  0.11907E-03 ppm1      7.532 ppm2      0.756 CV     1
 ASSI {  249}
   (( segid "    " and resid 21   and name HH2 ))
   (( segid "    " and resid 21   and name HE3 ))
      3.800     1.800     1.800 peak   249 spectrum    1 weight  0.10000E+01 volume  0.13579E-02 ppm1      7.141 ppm2      7.526 CV     1
 ASSI {  251}
   (( segid "    " and resid 21   and name HH2 ))
   (( segid "    " and resid 21   and name HZ3 ))
      2.100     0.600     0.600 peak   251 spectrum    1 weight  0.10000E+01 volume  0.16679E-01 ppm1      7.141 ppm2      7.048 CV     1
 ASSI {  252}
   (( segid "    " and resid 21   and name HZ2 ))
   (( segid "    " and resid 21   and name HE3 ))
      4.000     2.000     2.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.57942E-03 ppm1      7.381 ppm2      7.528 CV     1
 ASSI {  253}
   (( segid "    " and resid 21   and name HZ2 ))
   (( segid "    " and resid 21   and name HH2 ))
      2.100     0.600     0.600 peak   253 spectrum    1 weight  0.10000E+01 volume  0.18438E-01 ppm1      7.382 ppm2      7.143 CV     1
 ASSI {  254}
   (( segid "    " and resid 21   and name HZ2 ))
   (( segid "    " and resid 21   and name HZ3 ))
      3.800     1.800     1.800 peak   254 spectrum    1 weight  0.10000E+01 volume  0.14246E-02 ppm1      7.382 ppm2      7.052 CV     1
 ASSI {  255}
   (( segid "    " and resid 21   and name HZ2 ))
   (( segid "    " and resid 21   and name HE1 ))
      3.100     1.200     1.200 peak   255 spectrum    1 weight  0.10000E+01 volume  0.17157E-02 ppm1      7.385 ppm2     10.004 CV     1
 ASSI {  256}
   (( segid "    " and resid 21   and name HZ3 ))
   (( segid "    " and resid 21   and name HE3 ))
      2.600     0.800     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.52228E-02 ppm1      7.058 ppm2      7.526 CV     1
 ASSI {  259}
   (( segid "    " and resid 21   and name HZ3 ))
   (( segid "    " and resid 21   and name HB1 ))
      5.100     3.200     0.900 peak   259 spectrum    1 weight  0.10000E+01 volume  0.26556E-03 ppm1      7.062 ppm2      3.132 CV     1
 ASSI {  260}
   (( segid "    " and resid 21   and name HZ3 ))
   (  segid "    " and resid 20   and name HD1%)
      3.600     1.600     1.600 peak   260 spectrum    1 weight  0.10000E+01 volume  0.33437E-03 ppm1      7.064 ppm2      0.732 CV     1
 ASSI {  261}
   (( segid "    " and resid 4    and name HD21))
   (( segid "    " and resid 4    and name HB2 ))
      3.100     1.200     1.200 peak   261 spectrum    1 weight  0.10000E+01 volume  0.12266E-02 ppm1      6.876 ppm2      2.763 CV     1
 OR {  261}
   (( segid "    " and resid 4    and name HD21))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  262}
   (( segid "    " and resid 4    and name HD22))
   (( segid "    " and resid 4    and name HB2 ))
      3.600     1.600     1.600 peak   262 spectrum    1 weight  0.10000E+01 volume  0.18472E-02 ppm1      7.571 ppm2      2.760 CV     1
 OR {  262}
   (( segid "    " and resid 4    and name HD22))
   (( segid "    " and resid 4    and name HB1 ))
 ASSI {  263}
   (( segid "    " and resid 4    and name HD21))
   (( segid "    " and resid 4    and name HD22))
      1.900     0.400     0.400 peak   263 spectrum    1 weight  0.10000E+01 volume  0.16718E-01 ppm1      6.877 ppm2      7.568 CV     1
 ASSI {  265}
   (( segid "    " and resid 7    and name HD22))
   (( segid "    " and resid 7    and name HA  ))
      4.700     2.700     1.300 peak   265 spectrum    1 weight  0.10000E+01 volume  0.37584E-03 ppm1      7.626 ppm2      4.658 CV     1
 ASSI {  266}
   (( segid "    " and resid 7    and name HD22))
   (( segid "    " and resid 7    and name HB1 ))
      3.500     1.500     1.500 peak   266 spectrum    1 weight  0.10000E+01 volume  0.21432E-02 ppm1      7.624 ppm2      2.769 CV     1
 ASSI {  267}
   (( segid "    " and resid 7    and name HD22))
   (( segid "    " and resid 7    and name HB2 ))
      3.600     1.600     1.600 peak   267 spectrum    1 weight  0.10000E+01 volume  0.15649E-02 ppm1      7.624 ppm2      2.846 CV     1
 ASSI {  268}
   (( segid "    " and resid 7    and name HD21))
   (( segid "    " and resid 7    and name HB1 ))
      3.400     1.500     1.500 peak   268 spectrum    1 weight  0.10000E+01 volume  0.17335E-02 ppm1      6.918 ppm2      2.769 CV     1
 ASSI {  269}
   (( segid "    " and resid 7    and name HD21))
   (( segid "    " and resid 7    and name HB2 ))
      2.900     1.000     1.000 peak   269 spectrum    1 weight  0.10000E+01 volume  0.12063E-02 ppm1      6.918 ppm2      2.844 CV     1
 ASSI {  270}
   (( segid "    " and resid 7    and name HD21))
   (( segid "    " and resid 10   and name HG2 ))
      5.500     3.700     0.500 peak   270 spectrum    1 weight  0.10000E+01 volume  0.11563E-03 ppm1      6.924 ppm2      2.447 CV     1
 ASSI {  271}
   (( segid "    " and resid 7    and name HD22))
   (( segid "    " and resid 7    and name HD21))
      1.800     0.400     0.400 peak   271 spectrum    1 weight  0.10000E+01 volume  0.15051E-01 ppm1      7.624 ppm2      6.916 CV     1
 ASSI {  273}
   (( segid "    " and resid 7    and name HD21))
   (( segid "    " and resid 6    and name HG12))
      5.800     4.300     0.200 peak   273 spectrum    1 weight  0.10000E+01 volume  0.83548E-04 ppm1      6.923 ppm2      1.342 CV     1
 ASSI {  274}
   (( segid "    " and resid 7    and name HD21))
   (  segid "    " and resid 6    and name HG2%)
      4.300     2.300     1.700 peak   274 spectrum    1 weight  0.10000E+01 volume  0.38240E-03 ppm1      6.921 ppm2      0.883 CV     1
 ASSI {  275}
   (( segid "    " and resid 7    and name HD22))
   (  segid "    " and resid 6    and name HG2%)
      4.400     2.400     1.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.25431E-03 ppm1      7.627 ppm2      0.885 CV     1
 ASSI {  276}
   (( segid "    " and resid 7    and name HD21))
   (  segid "    " and resid 6    and name HD1%)
      4.800     2.900     1.200 peak   276 spectrum    1 weight  0.10000E+01 volume  0.12032E-03 ppm1      6.918 ppm2      0.808 CV     1
 ASSI {  277}
   (( segid "    " and resid 7    and name HD21))
   (( segid "    " and resid 11   and name HB2 ))
      5.400     3.600     0.600 peak   277 spectrum    1 weight  0.10000E+01 volume  0.69108E-04 ppm1      6.918 ppm2      3.137 CV     1
 ASSI {  278}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HB1 ))
      5.300     3.500     0.700 peak   278 spectrum    1 weight  0.10000E+01 volume  0.68263E-04 ppm1      6.726 ppm2      1.902 CV     1
 ASSI {  279}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HB2 ))
      5.400     3.700     0.600 peak   279 spectrum    1 weight  0.10000E+01 volume  0.41036E-04 ppm1      6.729 ppm2      2.015 CV     1
 ASSI {  280}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HG2 ))
      3.500     1.500     1.500 peak   280 spectrum    1 weight  0.10000E+01 volume  0.62798E-03 ppm1      6.727 ppm2      2.195 CV     1
 OR {  280}
   (( segid "    " and resid 17   and name HE21))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  281}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HG2 ))
      3.700     1.700     1.700 peak   281 spectrum    1 weight  0.10000E+01 volume  0.13109E-02 ppm1      7.249 ppm2      2.196 CV     1
 OR {  281}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  282}
   (( segid "    " and resid 17   and name HE22))
   (( segid "    " and resid 17   and name HE21))
      2.000     0.500     0.500 peak   282 spectrum    1 weight  0.10000E+01 volume  0.12316E-01 ppm1      7.248 ppm2      6.724 CV     1
 ASSI {  284}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HA  ))
      2.500     0.800     0.800 peak   284 spectrum    1 weight  0.10000E+01 volume  0.75128E-02 ppm1      3.316 ppm2      4.318 CV     1
 ASSI {  285}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 1    and name HA  ))
      2.500     0.800     0.800 peak   285 spectrum    1 weight  0.10000E+01 volume  0.52972E-02 ppm1      3.273 ppm2      4.319 CV     1
 ASSI {  288}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HA  ))
      3.900     1.900     1.900 peak   288 spectrum    1 weight  0.10000E+01 volume  0.72722E-03 ppm1      4.326 ppm2      4.657 CV     1
 ASSI {  289}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 2    and name HA  ))
      2.500     0.800     0.800 peak   289 spectrum    1 weight  0.10000E+01 volume  0.67550E-02 ppm1      3.779 ppm2      4.655 CV     1
 OR {  289}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
 ASSI {  290}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 1    and name HA  ))
      4.500     2.600     1.500 peak   290 spectrum    1 weight  0.10000E+01 volume  0.31203E-03 ppm1      3.781 ppm2      4.313 CV     1
 OR {  290}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 1    and name HA  ))
 ASSI {  291}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      2.800     0.900     0.900 peak   291 spectrum    1 weight  0.10000E+01 volume  0.26111E-02 ppm1      2.777 ppm2      4.795 CV     1
 ASSI {  292}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   292 spectrum    1 weight  0.10000E+01 volume  0.63767E-02 ppm1      3.168 ppm2      4.800 CV     1
 ASSI {  293}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HB2 ))
      2.100     0.500     0.500 peak   293 spectrum    1 weight  0.10000E+01 volume  0.69707E-02 ppm1      2.776 ppm2      3.158 CV     1
 ASSI {  295}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.400     0.700     0.700 peak   295 spectrum    1 weight  0.10000E+01 volume  0.72621E-02 ppm1      2.768 ppm2      4.589 CV     1
 OR {  295}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  297}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.700     0.900     0.900 peak   297 spectrum    1 weight  0.10000E+01 volume  0.39294E-02 ppm1      2.936 ppm2      4.732 CV     1
 ASSI {  298}
   (( segid "    " and resid 5    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      2.900     1.100     1.100 peak   298 spectrum    1 weight  0.10000E+01 volume  0.23639E-02 ppm1      2.780 ppm2      4.734 CV     1
 ASSI {  299}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
      2.100     0.500     0.500 peak   299 spectrum    1 weight  0.10000E+01 volume  0.98454E-02 ppm1      2.935 ppm2      2.765 CV     1
 ASSI {  302}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HG2%)
      2.400     0.700     0.700 peak   302 spectrum    1 weight  0.10000E+01 volume  0.61721E-02 ppm1      4.152 ppm2      0.880 CV     1
 ASSI {  303}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG12))
      3.200     1.300     1.300 peak   303 spectrum    1 weight  0.10000E+01 volume  0.20141E-02 ppm1      4.152 ppm2      1.324 CV     1
 ASSI {  304}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HG11))
      3.400     1.400     1.400 peak   304 spectrum    1 weight  0.10000E+01 volume  0.13913E-02 ppm1      4.153 ppm2      1.176 CV     1
 ASSI {  305}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HD1%)
      3.500     1.500     1.500 peak   305 spectrum    1 weight  0.10000E+01 volume  0.23155E-02 ppm1      4.152 ppm2      0.804 CV     1
 ASSI {  309}
   (( segid "    " and resid 6    and name HG11))
   (( segid "    " and resid 6    and name HB  ))
      2.300     0.700     0.700 peak   309 spectrum    1 weight  0.10000E+01 volume  0.52175E-02 ppm1      1.174 ppm2      1.896 CV     1
 ASSI {  310}
   (( segid "    " and resid 6    and name HG11))
   (( segid "    " and resid 6    and name HG12))
      1.800     0.400     0.400 peak   310 spectrum    1 weight  0.10000E+01 volume  0.13213E-01 ppm1      1.187 ppm2      1.325 CV     1
 ASSI {  311}
   (( segid "    " and resid 6    and name HG11))
   (  segid "    " and resid 6    and name HG2%)
      2.700     0.900     0.900 peak   311 spectrum    1 weight  0.10000E+01 volume  0.76871E-02 ppm1      1.181 ppm2      0.880 CV     1
 ASSI {  312}
   (( segid "    " and resid 6    and name HG11))
   (  segid "    " and resid 6    and name HD1%)
      2.000     0.500     0.500 peak   312 spectrum    1 weight  0.10000E+01 volume  0.93233E-02 ppm1      1.168 ppm2      0.806 CV     1
 ASSI {  314}
   (( segid "    " and resid 6    and name HG12))
   (( segid "    " and resid 6    and name HB  ))
      2.600     0.800     0.800 peak   314 spectrum    1 weight  0.10000E+01 volume  0.50807E-02 ppm1      1.330 ppm2      1.895 CV     1
 ASSI {  316}
   (( segid "    " and resid 6    and name HG12))
   (  segid "    " and resid 6    and name HG2%)
      2.500     0.800     0.800 peak   316 spectrum    1 weight  0.10000E+01 volume  0.25339E-02 ppm1      1.332 ppm2      0.880 CV     1
 ASSI {  318}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 6    and name HB  ))
      2.200     0.600     0.600 peak   318 spectrum    1 weight  0.10000E+01 volume  0.63139E-02 ppm1      0.884 ppm2      1.897 CV     1
 ASSI {  321}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 6    and name HB  ))
      2.500     0.800     0.800 peak   321 spectrum    1 weight  0.10000E+01 volume  0.31855E-02 ppm1      0.805 ppm2      1.894 CV     1
 ASSI {  322}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 6    and name HG12))
      2.000     0.500     0.500 peak   322 spectrum    1 weight  0.10000E+01 volume  0.10561E-01 ppm1      0.803 ppm2      1.324 CV     1
 ASSI {  324}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HA  ))
      3.800     1.800     1.800 peak   324 spectrum    1 weight  0.10000E+01 volume  0.68892E-03 ppm1      4.156 ppm2      4.653 CV     1
 ASSI {  325}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 3    and name HB1 ))
      3.900     1.900     1.900 peak   325 spectrum    1 weight  0.10000E+01 volume  0.11535E-02 ppm1      0.885 ppm2      2.768 CV     1
 ASSI {  327}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 11   and name HA  ))
      5.000     3.100     1.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.39191E-03 ppm1      0.876 ppm2      4.257 CV     1
 ASSI {  329}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 7    and name HA  ))
      4.200     2.200     1.800 peak   329 spectrum    1 weight  0.10000E+01 volume  0.44808E-03 ppm1      0.811 ppm2      4.654 CV     1
 ASSI {  330}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 3    and name HB1 ))
      3.500     1.500     1.500 peak   330 spectrum    1 weight  0.10000E+01 volume  0.81856E-03 ppm1      0.801 ppm2      2.765 CV     1
 ASSI {  333}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 11   and name HB1 ))
      4.500     2.600     1.500 peak   333 spectrum    1 weight  0.10000E+01 volume  0.42632E-03 ppm1      0.811 ppm2      3.073 CV     1
 ASSI {  336}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak   336 spectrum    1 weight  0.10000E+01 volume  0.58220E-02 ppm1      2.843 ppm2      4.655 CV     1
 ASSI {  337}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HB2 ))
      1.900     0.500     0.500 peak   337 spectrum    1 weight  0.10000E+01 volume  0.12327E-01 ppm1      2.777 ppm2      2.842 CV     1
 ASSI {  338}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      2.600     0.900     0.900 peak   338 spectrum    1 weight  0.10000E+01 volume  0.44370E-02 ppm1      2.731 ppm2      4.639 CV     1
 ASSI {  339}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.700     0.900     0.900 peak   339 spectrum    1 weight  0.10000E+01 volume  0.34677E-02 ppm1      3.099 ppm2      4.649 CV     1
 ASSI {  340}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HB2 ))
      2.100     0.500     0.500 peak   340 spectrum    1 weight  0.10000E+01 volume  0.93667E-02 ppm1      2.770 ppm2      3.107 CV     1
 ASSI {  342}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.200     0.600     0.600 peak   342 spectrum    1 weight  0.10000E+01 volume  0.12763E-01 ppm1      3.939 ppm2      1.790 CV     1
 OR {  342}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  343}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG1 ))
      2.800     1.000     1.000 peak   343 spectrum    1 weight  0.10000E+01 volume  0.30843E-02 ppm1      3.941 ppm2      1.382 CV     1
 ASSI {  344}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HG2 ))
      3.000     1.200     1.200 peak   344 spectrum    1 weight  0.10000E+01 volume  0.17783E-02 ppm1      3.939 ppm2      1.483 CV     1
 ASSI {  345}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HD2 ))
      3.300     1.400     1.400 peak   345 spectrum    1 weight  0.10000E+01 volume  0.12810E-02 ppm1      3.940 ppm2      1.631 CV     1
 OR {  345}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HD1 ))
 ASSI {  346}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HA  ))
      3.900     1.900     1.900 peak   346 spectrum    1 weight  0.10000E+01 volume  0.54910E-03 ppm1      3.942 ppm2      4.653 CV     1
 ASSI {  348}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.500     1.500     1.500 peak   348 spectrum    1 weight  0.10000E+01 volume  0.26618E-02 ppm1      3.940 ppm2      1.897 CV     1
 ASSI {  349}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.900     1.000     1.000 peak   349 spectrum    1 weight  0.10000E+01 volume  0.18207E-02 ppm1      3.941 ppm2      2.470 CV     1
 OR {  349}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  351}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HG2 ))
      2.300     0.600     0.600 peak   351 spectrum    1 weight  0.10000E+01 volume  0.86864E-02 ppm1      1.783 ppm2      1.487 CV     1
 OR {  351}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI {  352}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 9    and name HG1 ))
      2.400     0.700     0.700 peak   352 spectrum    1 weight  0.10000E+01 volume  0.65123E-02 ppm1      1.791 ppm2      1.394 CV     1
 OR {  352}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HG1 ))
 ASSI {  353}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HG1 ))
      4.400     2.500     1.600 peak   353 spectrum    1 weight  0.10000E+01 volume  0.39078E-03 ppm1      1.794 ppm2      2.441 CV     1
 OR {  353}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 10   and name HG2 ))
 OR {  353}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 10   and name HG1 ))
 ASSI {  358}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 9    and name HG2 ))
      1.800     0.400     0.400 peak   358 spectrum    1 weight  0.10000E+01 volume  0.15757E-01 ppm1      1.398 ppm2      1.481 CV     1
 ASSI {  360}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HD1 ))
      2.000     0.500     0.500 peak   360 spectrum    1 weight  0.10000E+01 volume  0.16365E-01 ppm1      1.502 ppm2      1.633 CV     1
 OR {  360}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HD2 ))
 ASSI {  364}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HG1 ))
      2.300     0.600     0.600 peak   364 spectrum    1 weight  0.10000E+01 volume  0.92512E-02 ppm1      1.628 ppm2      1.385 CV     1
 OR {  364}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 9    and name HG1 ))
 ASSI {  365}
   (( segid "    " and resid 9    and name HE2 ))
   (( segid "    " and resid 9    and name HG1 ))
      3.700     1.700     1.700 peak   365 spectrum    1 weight  0.10000E+01 volume  0.51879E-03 ppm1      2.974 ppm2      1.385 CV     1
 OR {  365}
   (( segid "    " and resid 9    and name HE1 ))
   (( segid "    " and resid 9    and name HG1 ))
 ASSI {  366}
   (( segid "    " and resid 9    and name HE2 ))
   (( segid "    " and resid 9    and name HG2 ))
      4.200     2.200     1.800 peak   366 spectrum    1 weight  0.10000E+01 volume  0.36450E-03 ppm1      2.958 ppm2      1.486 CV     1
 OR {  366}
   (( segid "    " and resid 9    and name HE1 ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI {  367}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.200     0.600     0.600 peak   367 spectrum    1 weight  0.10000E+01 volume  0.88115E-02 ppm1      4.160 ppm2      2.089 CV     1
 OR {  367}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {  368}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG1 ))
      2.300     0.700     0.700 peak   368 spectrum    1 weight  0.10000E+01 volume  0.83908E-02 ppm1      4.146 ppm2      2.464 CV     1
 OR {  368}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG2 ))
 ASSI {  369}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.900     2.900     3.100 peak   369 spectrum    1 weight  0.10000E+01 volume  0.16270E-02 ppm1      4.156 ppm2      1.786 CV     1
 OR {  369}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  373}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HB1 ))
      2.100     0.500     0.500 peak   373 spectrum    1 weight  0.10000E+01 volume  0.14350E-01 ppm1      2.440 ppm2      2.095 CV     1
 OR {  373}
   (( segid "    " and resid 10   and name HG1 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR {  373}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HB2 ))
 OR {  373}
   (( segid "    " and resid 10   and name HG1 ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {  374}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 6    and name HD1%)
      2.800     1.000     1.000 peak   374 spectrum    1 weight  0.10000E+01 volume  0.14677E-02 ppm1      4.264 ppm2      0.792 CV     1
 ASSI {  375}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 6    and name HG12))
      3.900     1.900     1.900 peak   375 spectrum    1 weight  0.10000E+01 volume  0.57509E-03 ppm1      3.150 ppm2      1.328 CV     1
 ASSI {  376}
   (( segid "    " and resid 11   and name HB2 ))
   (  segid "    " and resid 6    and name HG2%)
      3.300     3.300     2.700 peak   376 spectrum    1 weight  0.10000E+01 volume  0.51124E-03 ppm1      3.152 ppm2      0.878 CV     1
 ASSI {  377}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 6    and name HG11))
      4.000     2.000     2.000 peak   377 spectrum    1 weight  0.10000E+01 volume  0.15640E-03 ppm1      3.153 ppm2      1.169 CV     1
 ASSI {  378}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      2.600     0.800     0.800 peak   378 spectrum    1 weight  0.10000E+01 volume  0.33276E-02 ppm1      4.140 ppm2      3.178 CV     1
 ASSI {  381}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak   381 spectrum    1 weight  0.10000E+01 volume  0.43487E-02 ppm1      1.996 ppm2      4.126 CV     1
 ASSI {  382}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.100     0.600     0.600 peak   382 spectrum    1 weight  0.10000E+01 volume  0.88777E-02 ppm1      1.897 ppm2      2.471 CV     1
 OR {  382}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  383}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      3.800     1.800     1.800 peak   383 spectrum    1 weight  0.10000E+01 volume  0.14417E-02 ppm1      1.995 ppm2      3.933 CV     1
 ASSI {  385}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HA  ))
      2.800     1.000     1.000 peak   385 spectrum    1 weight  0.10000E+01 volume  0.52138E-02 ppm1      2.478 ppm2      4.135 CV     1
 OR {  385}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  387}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.200     0.600     0.600 peak   387 spectrum    1 weight  0.10000E+01 volume  0.11849E-01 ppm1      2.481 ppm2      1.989 CV     1
 OR {  387}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  388}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
      4.100     2.100     1.900 peak   388 spectrum    1 weight  0.10000E+01 volume  0.17260E-02 ppm1      2.474 ppm2      3.159 CV     1
 OR {  388}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  389}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 11   and name HB1 ))
      3.700     1.700     1.700 peak   389 spectrum    1 weight  0.10000E+01 volume  0.12356E-02 ppm1      2.470 ppm2      3.076 CV     1
 OR {  389}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  391}
   (  segid "    " and resid 12   and name HE% )
   (( segid "    " and resid 12   and name HG1 ))
      2.400     0.700     0.700 peak   391 spectrum    1 weight  0.10000E+01 volume  0.48782E-02 ppm1      1.964 ppm2      2.471 CV     1
 OR {  391}
   (  segid "    " and resid 12   and name HE% )
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  392}
   (  segid "    " and resid 12   and name HE% )
   (( segid "    " and resid 9    and name HA  ))
      3.300     1.300     1.300 peak   392 spectrum    1 weight  0.10000E+01 volume  0.12920E-02 ppm1      1.970 ppm2      3.935 CV     1
 ASSI {  394}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.000     0.500     0.500 peak   394 spectrum    1 weight  0.10000E+01 volume  0.15098E-01 ppm1      2.940 ppm2      4.251 CV     1
 OR {  394}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  398}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      1.800     1.800     4.200 peak   398 spectrum    1 weight  0.10000E+01 volume  0.20702E-01 ppm1      3.172 ppm2      4.262 CV     1
 ASSI {  401}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak   401 spectrum    1 weight  0.10000E+01 volume  0.58101E-02 ppm1      2.964 ppm2      4.573 CV     1
 ASSI {  403}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HB2 ))
      2.100     0.500     0.500 peak   403 spectrum    1 weight  0.10000E+01 volume  0.69350E-02 ppm1      2.962 ppm2      3.181 CV     1
 ASSI {  405}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB1 ))
      3.600     1.600     1.600 peak   405 spectrum    1 weight  0.10000E+01 volume  0.70288E-03 ppm1      4.539 ppm2      3.178 CV     1
 ASSI {  406}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   406 spectrum    1 weight  0.10000E+01 volume  0.27071E-02 ppm1      3.257 ppm2      4.559 CV     1
 ASSI {  408}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.700     0.900     0.900 peak   408 spectrum    1 weight  0.10000E+01 volume  0.53903E-02 ppm1      4.229 ppm2      1.897 CV     1
 ASSI {  409}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.300     0.600     0.600 peak   409 spectrum    1 weight  0.10000E+01 volume  0.76201E-02 ppm1      4.223 ppm2      2.012 CV     1
 ASSI {  410}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      2.800     1.000     1.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.33173E-02 ppm1      4.220 ppm2      2.194 CV     1
 OR {  410}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  411}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 16   and name HA  ))
      3.900     1.900     1.900 peak   411 spectrum    1 weight  0.10000E+01 volume  0.55390E-03 ppm1      4.216 ppm2      4.564 CV     1
 ASSI {  415}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HG1 ))
      2.100     0.500     0.500 peak   415 spectrum    1 weight  0.10000E+01 volume  0.15170E-01 ppm1      2.025 ppm2      2.198 CV     1
 OR {  415}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  418}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HB1 ))
      2.200     0.600     0.600 peak   418 spectrum    1 weight  0.10000E+01 volume  0.82254E-02 ppm1      2.192 ppm2      1.905 CV     1
 OR {  418}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HB1 ))
 ASSI {  419}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HA  ))
      2.900     1.000     1.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.25055E-02 ppm1      2.832 ppm2      4.602 CV     1
 ASSI {  420}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 18   and name HB2 ))
      2.000     0.500     0.500 peak   420 spectrum    1 weight  0.10000E+01 volume  0.13625E-01 ppm1      2.736 ppm2      2.829 CV     1
 ASSI {  421}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HB  ))
      2.600     0.800     0.800 peak   421 spectrum    1 weight  0.10000E+01 volume  0.44813E-02 ppm1      4.023 ppm2      1.897 CV     1
 ASSI {  422}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HG1%)
      2.400     0.700     0.700 peak   422 spectrum    1 weight  0.10000E+01 volume  0.53678E-02 ppm1      4.024 ppm2      0.688 CV     1
 ASSI {  423}
   (( segid "    " and resid 19   and name HA  ))
   (  segid "    " and resid 19   and name HG2%)
      2.500     0.800     0.800 peak   423 spectrum    1 weight  0.10000E+01 volume  0.50105E-02 ppm1      4.023 ppm2      0.774 CV     1
 ASSI {  426}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 19   and name HB  ))
      2.300     0.700     0.700 peak   426 spectrum    1 weight  0.10000E+01 volume  0.59305E-02 ppm1      0.683 ppm2      1.893 CV     1
 ASSI {  427}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 18   and name HA  ))
      3.900     1.900     1.900 peak   427 spectrum    1 weight  0.10000E+01 volume  0.81150E-03 ppm1      0.696 ppm2      4.605 CV     1
 ASSI {  429}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 19   and name HB  ))
      2.500     0.800     0.800 peak   429 spectrum    1 weight  0.10000E+01 volume  0.36442E-02 ppm1      0.765 ppm2      1.894 CV     1
 ASSI {  430}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 18   and name HA  ))
      3.300     1.400     1.400 peak   430 spectrum    1 weight  0.10000E+01 volume  0.15930E-02 ppm1      0.777 ppm2      4.601 CV     1
 ASSI {  431}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 18   and name HB2 ))
      3.900     1.900     1.900 peak   431 spectrum    1 weight  0.10000E+01 volume  0.20528E-03 ppm1      0.764 ppm2      2.821 CV     1
 ASSI {  432}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 18   and name HB1 ))
      3.800     1.800     1.800 peak   432 spectrum    1 weight  0.10000E+01 volume  0.22528E-03 ppm1      0.764 ppm2      2.719 CV     1
 ASSI {  433}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 17   and name HG1 ))
      3.900     1.900     1.900 peak   433 spectrum    1 weight  0.10000E+01 volume  0.20576E-03 ppm1      0.790 ppm2      2.195 CV     1
 ASSI {  434}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB  ))
      2.500     0.800     0.800 peak   434 spectrum    1 weight  0.10000E+01 volume  0.53645E-02 ppm1      4.081 ppm2      1.731 CV     1
 ASSI {  435}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG11))
      3.000     1.100     1.100 peak   435 spectrum    1 weight  0.10000E+01 volume  0.26120E-02 ppm1      4.077 ppm2      1.050 CV     1
 ASSI {  436}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG12))
      3.700     1.700     1.700 peak   436 spectrum    1 weight  0.10000E+01 volume  0.14059E-02 ppm1      4.073 ppm2      1.313 CV     1
 ASSI {  437}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HG2%)
      2.300     0.600     0.600 peak   437 spectrum    1 weight  0.10000E+01 volume  0.84114E-02 ppm1      4.076 ppm2      0.740 CV     1
 ASSI {  438}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      4.000     2.000     2.000 peak   438 spectrum    1 weight  0.10000E+01 volume  0.48156E-03 ppm1      4.075 ppm2      4.607 CV     1
 ASSI {  440}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 20   and name HG11))
      2.600     0.900     0.900 peak   440 spectrum    1 weight  0.10000E+01 volume  0.38797E-02 ppm1      1.745 ppm2      1.054 CV     1
 ASSI {  441}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 20   and name HG12))
      2.500     0.800     0.800 peak   441 spectrum    1 weight  0.10000E+01 volume  0.49958E-02 ppm1      1.739 ppm2      1.316 CV     1
 ASSI {  442}
   (( segid "    " and resid 20   and name HB  ))
   (  segid "    " and resid 20   and name HG2%)
      2.500     0.800     0.800 peak   442 spectrum    1 weight  0.10000E+01 volume  0.36254E-02 ppm1      1.736 ppm2      0.740 CV     1
 OR {  442}
   (( segid "    " and resid 20   and name HB  ))
   (  segid "    " and resid 20   and name HD1%)
 ASSI {  445}
   (( segid "    " and resid 20   and name HG11))
   (( segid "    " and resid 20   and name HG12))
      1.800     0.400     0.400 peak   445 spectrum    1 weight  0.10000E+01 volume  0.13630E-01 ppm1      1.069 ppm2      1.313 CV     1
 ASSI {  446}
   (( segid "    " and resid 20   and name HG11))
   (  segid "    " and resid 20   and name HD1%)
      2.000     0.500     0.500 peak   446 spectrum    1 weight  0.10000E+01 volume  0.13854E-01 ppm1      1.046 ppm2      0.745 CV     1
 OR {  446}
   (( segid "    " and resid 20   and name HG11))
   (  segid "    " and resid 20   and name HG2%)
 ASSI {  450}
   (( segid "    " and resid 20   and name HG12))
   (  segid "    " and resid 20   and name HD1%)
      2.000     0.500     0.500 peak   450 spectrum    1 weight  0.10000E+01 volume  0.12955E-01 ppm1      1.335 ppm2      0.745 CV     1
 OR {  450}
   (( segid "    " and resid 20   and name HG12))
   (  segid "    " and resid 20   and name HG2%)
 ASSI {  455}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 21   and name HA  ))
      3.000     1.100     1.100 peak   455 spectrum    1 weight  0.10000E+01 volume  0.13326E-02 ppm1      0.745 ppm2      4.608 CV     1
 ASSI {  457}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 18   and name HB1 ))
      3.900     1.900     1.900 peak   457 spectrum    1 weight  0.10000E+01 volume  0.21411E-03 ppm1      0.748 ppm2      2.733 CV     1
 ASSI {  459}
   (( segid "    " and resid 21   and name HB1 ))
   (( segid "    " and resid 21   and name HA  ))
      2.400     0.700     0.700 peak   459 spectrum    1 weight  0.10000E+01 volume  0.55302E-02 ppm1      3.142 ppm2      4.622 CV     1
 ASSI {  460}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 20   and name HD1%)
      3.400     1.400     1.400 peak   460 spectrum    1 weight  0.10000E+01 volume  0.11663E-02 ppm1      3.141 ppm2      0.744 CV     1
 ASSI {  461}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 20   and name HG11))
      4.700     2.700     1.300 peak   461 spectrum    1 weight  0.10000E+01 volume  0.10131E-03 ppm1      7.170 ppm2      1.049 CV     1
 ASSI {  462}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      3.500     1.600     1.600 peak   462 spectrum    1 weight  0.10000E+01 volume  0.79709E-03 ppm1      4.548 ppm2      2.559 CV     1
 OR {  462}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  463}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HA  ))
      3.200     1.300     1.300 peak   463 spectrum    1 weight  0.10000E+01 volume  0.11825E-02 ppm1      1.983 ppm2      4.457 CV     1
 ASSI {  464}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HB2 ))
      1.800     0.400     0.400 peak   464 spectrum    1 weight  0.10000E+01 volume  0.16613E-01 ppm1      1.785 ppm2      1.984 CV     1
 ASSI {  467}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HB1 ))
      2.800     1.000     1.000 peak   467 spectrum    1 weight  0.10000E+01 volume  0.28765E-02 ppm1      2.368 ppm2      1.774 CV     1
 OR {  467}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {  468}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HB2 ))
      2.500     0.800     0.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.59637E-02 ppm1      2.350 ppm2      1.991 CV     1
 OR {  468}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HB2 ))
 ASSI {  470}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HG1 ))
      2.200     0.600     0.600 peak   470 spectrum    1 weight  0.10000E+01 volume  0.11738E-01 ppm1      2.215 ppm2      1.949 CV     1
 OR {  470}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HG2 ))
 ASSI {  471}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HD2 ))
      2.600     0.800     0.800 peak   471 spectrum    1 weight  0.10000E+01 volume  0.71206E-02 ppm1      1.970 ppm2      3.629 CV     1
 OR {  471}
   (( segid "    " and resid 24   and name HB1 ))
   (( segid "    " and resid 24   and name HD1 ))
 ASSI {  472}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HD1 ))
      4.100     2.100     1.900 peak   472 spectrum    1 weight  0.10000E+01 volume  0.62752E-03 ppm1      2.223 ppm2      3.630 CV     1
 OR {  472}
   (( segid "    " and resid 24   and name HB2 ))
   (( segid "    " and resid 24   and name HD2 ))
 ASSI {  473}
   (( segid "    " and resid 24   and name HG2 ))
   (( segid "    " and resid 24   and name HA  ))
      3.300     1.300     1.300 peak   473 spectrum    1 weight  0.10000E+01 volume  0.24970E-02 ppm1      1.961 ppm2      4.307 CV     1
 OR {  473}
   (( segid "    " and resid 24   and name HG1 ))
   (( segid "    " and resid 24   and name HA  ))
 ASSI {  474}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak   474 spectrum    1 weight  0.10000E+01 volume  0.31017E-02 ppm1      3.642 ppm2      4.461 CV     1
 OR {  474}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI {  475}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HG2 ))
      3.200     1.300     1.300 peak   475 spectrum    1 weight  0.10000E+01 volume  0.11794E-02 ppm1      4.259 ppm2      2.451 CV     1
 OR {  475}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 10   and name HG1 ))
 ASSI {  477}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 10   and name HG2 ))
      3.300     3.300     2.700 peak   477 spectrum    1 weight  0.10000E+01 volume  0.19528E-02 ppm1      3.155 ppm2      2.461 CV     1
 OR {  477}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 10   and name HG1 ))
 ASSI {  479}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 24   and name HG2 ))
      2.500     0.800     0.800 peak   479 spectrum    1 weight  0.10000E+01 volume  0.51326E-02 ppm1      3.640 ppm2      1.959 CV     1
 OR {  479}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 24   and name HG1 ))
 OR {  479}
   (( segid "    " and resid 24   and name HD1 ))
   (( segid "    " and resid 24   and name HG2 ))
 OR {  479}
   (( segid "    " and resid 24   and name HD2 ))
   (( segid "    " and resid 24   and name HG1 ))
 ASSI {  480}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.900     1.100     1.100 peak   480 spectrum    1 weight  0.10000E+01 volume  0.23294E-02 ppm1      8.891 ppm2      4.658 CV     1
 ASSI {  481}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 14   and name HZ  ))
      2.500     0.800     0.800 peak   481 spectrum    1 weight  0.10000E+01 volume  0.61503E-02 ppm1      8.891 ppm2      7.370 CV     1
 ASSI {  482}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 3    and name HB1 ))
      3.900     1.900     1.900 peak   482 spectrum    1 weight  0.10000E+01 volume  0.12505E-02 ppm1      1.896 ppm2      2.768 CV     1
 ASSI {  483}
   (( segid "    " and resid 6    and name HB  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.900     1.900     1.900 peak   483 spectrum    1 weight  0.10000E+01 volume  0.13395E-02 ppm1      1.896 ppm2      3.168 CV     1
 ASSI {  484}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 6    and name HG2%)
      4.500     2.500     1.500 peak   484 spectrum    1 weight  0.10000E+01 volume  0.24881E-03 ppm1      8.397 ppm2      0.881 CV     1
 ASSI {  485}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 6    and name HG11))
      4.500     2.500     1.500 peak   485 spectrum    1 weight  0.10000E+01 volume  0.29451E-03 ppm1      8.396 ppm2      1.170 CV     1
 ASSI {  486}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 10   and name HG2 ))
      3.000     1.100     1.100 peak   486 spectrum    1 weight  0.10000E+01 volume  0.36087E-02 ppm1      0.879 ppm2      2.446 CV     1
 OR {  486}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 10   and name HG1 ))
 ASSI {  487}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.700     0.900     0.900 peak   487 spectrum    1 weight  0.10000E+01 volume  0.41091E-02 ppm1      8.094 ppm2      4.734 CV     1
 ASSI {  488}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.600     0.900     0.900 peak   488 spectrum    1 weight  0.10000E+01 volume  0.37620E-02 ppm1      8.096 ppm2      2.939 CV     1
 ASSI {  489}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.900     1.000     1.000 peak   489 spectrum    1 weight  0.10000E+01 volume  0.29980E-02 ppm1      8.095 ppm2      4.589 CV     1
 ASSI {  490}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      2.700     0.900     0.900 peak   490 spectrum    1 weight  0.10000E+01 volume  0.31879E-02 ppm1      8.095 ppm2      8.725 CV     1
 ASSI {  491}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 19   and name HB  ))
      5.400     3.600     0.600 peak   491 spectrum    1 weight  0.10000E+01 volume  0.10050E-03 ppm1      7.291 ppm2      1.905 CV     1
 ASSI {  492}
   (  segid "    " and resid 14   and name HD% )
   (  segid "    " and resid 19   and name HG2%)
      4.500     2.500     1.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.21475E-03 ppm1      7.294 ppm2      0.793 CV     1
 ASSI {  493}
   (  segid "    " and resid 14   and name HD% )
   (  segid "    " and resid 19   and name HG1%)
      5.400     3.600     0.600 peak   493 spectrum    1 weight  0.10000E+01 volume  0.11071E-03 ppm1      7.291 ppm2      0.687 CV     1
 ASSI {  494}
   (  segid "    " and resid 14   and name HE% )
   (  segid "    " and resid 19   and name HG2%)
      4.800     2.900     1.200 peak   494 spectrum    1 weight  0.10000E+01 volume  0.12156E-03 ppm1      7.369 ppm2      0.766 CV     1
 OR {  494}
   (( segid "    " and resid 14   and name HZ  ))
   (  segid "    " and resid 19   and name HG2%)
 ASSI {  495}
   (  segid "    " and resid 14   and name HE% )
   (  segid "    " and resid 19   and name HG1%)
      5.400 3.600   0.600 peak   495 spectrum    1 weight  0.10000E+01 volume  0.20797E-03 ppm1    7.371 ppm2    0.680 CV 1
 OR {  495}
   (( segid "    " and resid 14   and name HZ  ))
   (  segid "    " and resid 19   and name HG1%)
 ASSI {  496}
   (  segid "    " and resid 13   and name HD% )
   (  segid "    " and resid 19   and name HG1%)
      5.400 3.600   0.600 peak   496 spectrum    1 weight  0.10000E+01 volume  0.10107E-03 ppm1      6.784 ppm2      0.684 CV     1
 ASSI {  497}
   (  segid "    " and resid 13   and name HD% )
   (  segid "    " and resid 19   and name HG2%)
      4.800     2.900     1.200 peak   497 spectrum    1 weight  0.10000E+01 volume  0.14687E-03 ppm1      6.784 ppm2      0.763 CV     1
 ASSI {  498}
   (  segid "    " and resid 13   and name HE% )
   (  segid "    " and resid 19   and name HG2%)
      4.800     2.900     1.200 peak   498 spectrum    1 weight  0.10000E+01 volume  0.13867E-03 ppm1      6.691 ppm2      0.764 CV     1
 ASSI {   88}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 17   and name HN  ))
      5.000     3.200     1.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.71535E-04 ppm1      7.283 ppm2      8.141 CV     1
 OR {   88}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 12   and name HN  ))
 ASSI {   92}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 12   and name HN  ))
      4.100     2.100     1.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.16156E-03 ppm1      7.372 ppm2      8.142 CV     1
 OR {   92}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 17   and name HN  ))
 ASSI {  180}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 17   and name HB1 ))
      4.000     2.000     2.000 peak   180 spectrum    1 weight  0.10000E+01 volume  0.41997E-03 ppm1      6.782 ppm2      1.903 CV     1
 OR {  180}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  194}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 11   and name HA  ))
      2.100     0.600     0.600 peak   194 spectrum    1 weight  0.10000E+01 volume  0.72434E-02 ppm1      7.293 ppm2      4.270 CV     1
 OR {  194}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  233}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HB2 ))
      2.700     0.900     0.900 peak   233 spectrum    1 weight  0.10000E+01 volume  0.33822E-02 ppm1      7.167 ppm2      3.199 CV     1
 OR {  233}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  326}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 7    and name HA  ))
      4.400     2.400     1.600 peak   326 spectrum    1 weight  0.10000E+01 volume  0.45211E-03 ppm1      0.879 ppm2      4.655 CV     1
 OR {  326}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  328}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 3    and name HB2 ))
      4.400     2.400     1.600 peak   328 spectrum    1 weight  0.10000E+01 volume  0.44093E-03 ppm1      0.880 ppm2      3.147 CV     1
 OR {  328}
   (  segid "    " and resid 6    and name HG2%)
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  332}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 3    and name HB2 ))
      3.600     1.600     1.600 peak   332 spectrum    1 weight  0.10000E+01 volume  0.31356E-03 ppm1      0.813 ppm2      3.166 CV     1
 OR {  332}
   (  segid "    " and resid 6    and name HD1%)
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  335}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.900     0.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.40112E-02 ppm1      2.771 ppm2      4.651 CV     1
 OR {  335}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  370}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.200     0.600     0.600 peak   370 spectrum    1 weight  0.10000E+01 volume  0.85291E-02 ppm1      4.152 ppm2      2.936 CV     1
 OR {  370}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
 OR {  370}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  379}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.100     0.500     0.500 peak   379 spectrum    1 weight  0.10000E+01 volume  0.12337E-01 ppm1      4.149 ppm2      1.897 CV     1
 OR {  379}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 6    and name HB  ))
 ASSI {  396}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.200     0.600     0.600 peak   396 spectrum    1 weight  0.10000E+01 volume  0.11085E-01 ppm1      4.275 ppm2      3.085 CV     1
 OR {  396}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  397}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.000     0.500     0.500 peak   397 spectrum    1 weight  0.10000E+01 volume  0.12411E-01 ppm1      4.269 ppm2      3.166 CV     1
 OR {  397}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  407}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.100     0.600     0.600 peak   407 spectrum    1 weight  0.10000E+01 volume  0.13056E-01 ppm1      3.202 ppm2      4.576 CV     1
 OR {  407}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
 ASSI {  414}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HB2 ))
      1.700     0.400     0.500 peak   414 spectrum    1 weight  0.10000E+01 volume  0.20713E-01 ppm1      1.909 ppm2      2.003 CV     1
 OR {  414}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  476}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 5    and name HB1 ))
      3.000     1.100     1.100 peak   476 spectrum    1 weight  0.10000E+01 volume  0.21822E-02 ppm1      4.151 ppm2      2.765 CV     1
 OR {  476}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HB1 ))
 OR {  476}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 3    and name HB1 ))
assign (resid   8  and name   O ) ( resid  12  and name  HN ) 1.90 0.35 0.35
assign (resid   9  and name   O ) ( resid  13  and name  HN ) 1.90 0.35 0.35
assign (resid  10  and name   O ) ( resid  14  and name  HN ) 1.90 0.35 0.35
assign (resid  11  and name   O ) ( resid  15  and name  HN ) 1.90 0.35 0.35
assign (resid   8  and name   O ) ( resid  12  and name   N ) 2.90 0.50 0.50
assign (resid   9  and name   O ) ( resid  13  and name   N ) 2.90 0.50 0.50
assign (resid  10  and name   O ) ( resid  14  and name   N ) 2.90 0.50 0.50
assign (resid  11  and name   O ) ( resid  15  and name   N ) 2.90 0.50 0.50

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   1           HT1      CYS   1  -1.463  -2.055  -7.623
    2    H2   CYS   1           HT2      CYS   1  -0.961  -3.377  -6.683
    3    H3   CYS   1           HT3      CYS   1   0.157  -2.543  -7.648
    4    HA   CYS   1           HA       CYS   1  -1.303  -1.367  -5.364
    5    HB2  CYS   1           HB2      CYS   1   0.865  -1.427  -4.194
    6    HB3  CYS   1           HB1      CYS   1   0.293  -3.045  -4.584
    7    H    SER   2           HN       SER   2  -0.534   0.760  -4.804
    8    HA   SER   2           HA       SER   2   1.018   2.107  -6.893
    9    HB2  SER   2           HB2      SER   2  -0.612   4.017  -6.789
   10    HB3  SER   2           HB1      SER   2  -1.287   2.542  -7.481
   11    HG   SER   2           HG       SER   2  -1.583   3.324  -4.762
   12    H    CYS   3           HN       CYS   3   2.719   2.963  -5.909
   13    HA   CYS   3           HA       CYS   3   2.286   4.490  -3.457
   14    HB2  CYS   3           HB2      CYS   3   4.247   3.522  -2.369
   15    HB3  CYS   3           HB1      CYS   3   3.044   2.282  -2.701
   16    H    ASN   4           HN       ASN   4   3.453   6.292  -3.342
   17    HA   ASN   4           HA       ASN   4   5.932   6.661  -4.750
   18    HB2  ASN   4           HB2      ASN   4   4.271   7.102  -6.544
   19    HB3  ASN   4           HB1      ASN   4   3.519   8.327  -5.531
   20   HD21  ASN   4          HD21      ASN   4   6.983   7.770  -5.829
   21   HD22  ASN   4          HD22      ASN   4   7.337   9.281  -6.594
   22    H    ASP   5           HN       ASP   5   3.201   8.150  -3.093
   23    HA   ASP   5           HA       ASP   5   4.857  10.152  -1.814
   24    HB2  ASP   5           HB2      ASP   5   1.962   9.407  -1.308
   25    HB3  ASP   5           HB1      ASP   5   2.780  10.844  -0.709
   26    H    ILE   6           HN       ILE   6   4.172   6.931  -1.305
   27    HA   ILE   6           HA       ILE   6   4.592   7.143   1.596
   28    HB   ILE   6           HB       ILE   6   3.454   4.973   1.819
   29   HG12  ILE   6          HG12      ILE   6   2.807   5.315  -1.117
   30   HG13  ILE   6          HG11      ILE   6   3.896   4.103  -0.450
   31   HG21  ILE   6          HG21      ILE   6   1.851   7.118   0.432
   32   HG22  ILE   6          HG22      ILE   6   2.189   7.007   2.159
   33   HG23  ILE   6          HG23      ILE   6   1.169   5.797   1.380
   34   HD11  ILE   6          HD11      ILE   6   0.938   4.315   0.056
   35   HD12  ILE   6          HD12      ILE   6   2.016   3.123   0.783
   36   HD13  ILE   6          HD13      ILE   6   1.749   3.124  -0.961
   37    H    ASN   7           HN       ASN   7   5.594   5.107   2.522
   38    HA   ASN   7           HA       ASN   7   8.148   4.899   1.195
   39    HB2  ASN   7           HB2      ASN   7   9.001   4.157   3.239
   40    HB3  ASN   7           HB1      ASN   7   7.722   5.272   3.704
   41   HD21  ASN   7          HD21      ASN   7   5.662   4.332   4.338
   42   HD22  ASN   7          HD22      ASN   7   5.673   2.795   5.134
   43    H    ASP   8           HN       ASP   8   9.321   2.805   1.193
   44    HA   ASP   8           HA       ASP   8   7.983   1.075  -0.591
   45    HB2  ASP   8           HB2      ASP   8  10.045  -0.228  -0.603
   46    HB3  ASP   8           HB1      ASP   8  10.405   1.492  -0.691
   47    H    LYS   9           HN       LYS   9   8.821   0.701   2.839
   48    HA   LYS   9           HA       LYS   9   8.201  -2.028   3.064
   49    HB2  LYS   9           HB2      LYS   9   8.013   0.137   5.164
   50    HB3  LYS   9           HB1      LYS   9   7.948  -1.589   5.490
   51    HG2  LYS   9           HG2      LYS   9  10.281  -0.080   4.327
   52    HG3  LYS   9           HG1      LYS   9  10.152  -0.724   5.965
   53    HD2  LYS   9           HD2      LYS   9  10.024  -2.991   5.074
   54    HD3  LYS   9           HD1      LYS   9  10.121  -2.359   3.428
   55    HE2  LYS   9           HE2      LYS   9  12.233  -2.174   5.571
   56    HE3  LYS   9           HE1      LYS   9  12.292  -3.168   4.116
   57    HZ1  LYS   9           HZ1      LYS   9  12.446  -0.221   4.326
   58    HZ2  LYS   9           HZ2      LYS   9  12.106  -0.996   2.854
   59    HZ3  LYS   9           HZ3      LYS   9  13.581  -1.285   3.646
   60    H    GLU  10           HN       GLU  10   6.186   0.840   3.533
   61    HA   GLU  10           HA       GLU  10   3.824  -0.641   4.141
   62    HB2  GLU  10           HB2      GLU  10   4.063   1.676   4.846
   63    HB3  GLU  10           HB1      GLU  10   4.219   2.196   3.175
   64    HG2  GLU  10           HG2      GLU  10   1.929   1.594   2.726
   65    HG3  GLU  10           HG1      GLU  10   1.757   0.926   4.352
   66    H    CYS  11           HN       CYS  11   5.214   0.780   1.238
   67    HA   CYS  11           HA       CYS  11   3.147   0.363  -0.564
   68    HB2  CYS  11           HB2      CYS  11   5.085   1.665  -1.168
   69    HB3  CYS  11           HB1      CYS  11   6.134   0.262  -0.992
   70    H    MET  12           HN       MET  12   5.891  -1.831   0.124
   71    HA   MET  12           HA       MET  12   4.960  -3.861  -1.615
   72    HB2  MET  12           HB2      MET  12   6.708  -5.229  -0.741
   73    HB3  MET  12           HB1      MET  12   7.334  -3.591  -0.809
   74    HG2  MET  12           HG2      MET  12   8.089  -4.300   1.234
   75    HG3  MET  12           HG1      MET  12   6.591  -3.482   1.676
   76    HE1  MET  12           HE1      MET  12   7.502  -5.101   3.928
   77    HE2  MET  12           HE2      MET  12   6.153  -6.183   4.281
   78    HE3  MET  12           HE3      MET  12   5.842  -4.508   3.821
   79    H    TYR  13           HN       TYR  13   4.409  -3.143   1.767
   80    HA   TYR  13           HA       TYR  13   3.360  -5.534   2.687
   81    HB2  TYR  13           HB2      TYR  13   3.682  -3.818   4.288
   82    HB3  TYR  13           HB1      TYR  13   2.707  -2.670   3.378
   83    HD1  TYR  13           HD2      TYR  13   2.521  -5.771   5.413
   84    HD2  TYR  13           HD1      TYR  13   0.377  -2.465   3.786
   85    HE1  TYR  13           HE2      TYR  13   0.556  -6.382   6.759
   86    HE2  TYR  13           HE1      TYR  13  -1.582  -3.073   5.129
   87    HH   TYR  13           HH       TYR  13  -1.459  -5.299   7.677
   88    H    PHE  14           HN       PHE  14   1.575  -2.816   1.236
   89    HA   PHE  14           HA       PHE  14  -0.773  -4.525   1.151
   90    HB2  PHE  14           HB2      PHE  14  -2.056  -2.606   0.873
   91    HB3  PHE  14           HB1      PHE  14  -0.738  -2.051   1.901
   92    HD1  PHE  14           HD1      PHE  14   1.104  -0.704   0.895
   93    HD2  PHE  14           HD2      PHE  14  -2.407  -1.769  -1.232
   94    HE1  PHE  14           HE1      PHE  14   1.575   1.050  -0.761
   95    HE2  PHE  14           HE2      PHE  14  -1.958  -0.039  -2.887
   96    HZ   PHE  14           HZ       PHE  14   0.043   1.393  -2.669
   97    H    CYS  15           HN       CYS  15   1.815  -3.942  -0.825
   98    HA   CYS  15           HA       CYS  15   0.477  -3.883  -3.339
   99    HB2  CYS  15           HB2      CYS  15   2.861  -3.161  -2.997
  100    HB3  CYS  15           HB1      CYS  15   3.293  -4.858  -2.815
  101    H    HIS  16           HN       HIS  16   2.103  -6.528  -1.538
  102    HA   HIS  16           HA       HIS  16   1.033  -8.517  -3.319
  103    HB2  HIS  16           HB2      HIS  16   2.087 -10.147  -1.970
  104    HB3  HIS  16           HB1      HIS  16   3.173  -8.767  -1.943
  105    HD1  HIS  16           HD1      HIS  16   1.475 -11.123   0.217
  106    HD2  HIS  16           HD2      HIS  16   2.907  -7.234   0.581
  107    HE1  HIS  16           HE1      HIS  16   1.705 -10.710   2.692
  108    HE2  HIS  16           HE2      HIS  16   2.687  -8.394   2.887
  109    H    GLN  17           HN       GLN  17   0.014  -6.886  -0.495
  110    HA   GLN  17           HA       GLN  17  -2.138  -8.529   0.312
  111    HB2  GLN  17           HB2      GLN  17  -1.339  -6.814   1.779
  112    HB3  GLN  17           HB1      GLN  17  -1.556  -5.571   0.553
  113    HG2  GLN  17           HG2      GLN  17  -3.233  -5.383   2.262
  114    HG3  GLN  17           HG1      GLN  17  -3.967  -5.826   0.724
  115   HE21  GLN  17          HE21      GLN  17  -5.798  -6.615   1.785
  116   HE22  GLN  17          HE22      GLN  17  -5.785  -8.133   2.623
  117    H    ASP  18           HN       ASP  18  -1.750  -5.981  -2.030
  118    HA   ASP  18           HA       ASP  18  -2.965  -5.172  -3.726
  119    HB2  ASP  18           HB2      ASP  18  -3.195  -7.615  -4.311
  120    HB3  ASP  18           HB1      ASP  18  -4.755  -7.592  -3.493
  121    H    VAL  19           HN       VAL  19  -3.462  -3.653  -1.953
  122    HA   VAL  19           HA       VAL  19  -6.239  -3.609  -1.097
  123    HB   VAL  19           HB       VAL  19  -4.070  -1.523  -0.753
  124   HG11  VAL  19          HG11      VAL  19  -6.781  -1.772   0.538
  125   HG12  VAL  19          HG12      VAL  19  -6.272  -0.522  -0.600
  126   HG13  VAL  19          HG13      VAL  19  -5.534  -0.615   1.004
  127   HG21  VAL  19          HG21      VAL  19  -3.489  -3.564   0.405
  128   HG22  VAL  19          HG22      VAL  19  -5.089  -3.630   1.144
  129   HG23  VAL  19          HG23      VAL  19  -3.974  -2.332   1.570
  130    H    ILE  20           HN       ILE  20  -7.451  -3.434  -2.815
  131    HA   ILE  20           HA       ILE  20  -6.944  -1.574  -4.935
  132    HB   ILE  20           HB       ILE  20  -9.444  -2.329  -5.459
  133   HG12  ILE  20          HG12      ILE  20  -9.790  -4.671  -4.727
  134   HG13  ILE  20          HG11      ILE  20  -8.366  -4.551  -3.704
  135   HG21  ILE  20          HG21      ILE  20  -7.515  -2.750  -6.866
  136   HG22  ILE  20          HG22      ILE  20  -8.508  -4.200  -6.735
  137   HG23  ILE  20          HG23      ILE  20  -7.011  -4.072  -5.813
  138   HD11  ILE  20          HD11      ILE  20 -10.468  -4.346  -2.457
  139   HD12  ILE  20          HD12      ILE  20 -10.865  -2.900  -3.387
  140   HD13  ILE  20          HD13      ILE  20  -9.461  -2.904  -2.316
  141    H    TRP  21           HN       TRP  21  -7.488  -0.680  -2.076
  142    HA   TRP  21           HA       TRP  21  -9.893   0.915  -2.486
  143    HB2  TRP  21           HB2      TRP  21  -8.290   0.425   0.001
  144    HB3  TRP  21           HB1      TRP  21  -9.720   1.450  -0.088
  145    HD1  TRP  21           HD1      TRP  21 -11.520  -0.492  -1.889
  146    HE1  TRP  21           HE1      TRP  21 -12.486  -2.636  -0.830
  147    HE3  TRP  21           HE3      TRP  21  -8.271  -0.916   1.913
  148    HZ2  TRP  21           HZ2      TRP  21 -11.896  -4.298   1.399
  149    HZ3  TRP  21           HZ3      TRP  21  -8.493  -2.808   3.499
  150    HH2  TRP  21           HH2      TRP  21 -10.276  -4.462   3.242
  151    H    ASP  22           HN       ASP  22  -9.492   3.058  -0.974
  152    HA   ASP  22           HA       ASP  22  -7.061   4.429  -1.787
  153    HB2  ASP  22           HB2      ASP  22  -8.459   4.735  -3.757
  154    HB3  ASP  22           HB1      ASP  22  -9.806   5.259  -2.757
  155    H    GLU  23           HN       GLU  23 -10.359   4.983  -0.586
  156    HA   GLU  23           HA       GLU  23  -9.200   6.268   1.794
  157    HB2  GLU  23           HB2      GLU  23 -12.046   6.357   0.760
  158    HB3  GLU  23           HB1      GLU  23 -11.454   7.183   2.194
  159    HG2  GLU  23           HG2      GLU  23 -10.009   8.568   0.838
  160    HG3  GLU  23           HG1      GLU  23 -10.512   7.707  -0.617
  161    HA   PRO  24           HA       PRO  24 -10.536   2.470   3.719
  162    HB2  PRO  24           HB2      PRO  24  -9.269   3.092   6.136
  163    HB3  PRO  24           HB1      PRO  24  -8.553   2.223   4.779
  164    HG2  PRO  24           HG2      PRO  24  -7.834   4.787   5.740
  165    HG3  PRO  24           HG1      PRO  24  -7.248   3.995   4.271
  166    HD2  PRO  24           HD2      PRO  24  -9.337   6.074   4.595
  167    HD3  PRO  24           HD1      PRO  24  -8.278   5.735   3.209
  Start of MODEL    2
    1    H1   CYS   1           HT1      CYS   1  -1.468  -2.551  -6.174
    2    H2   CYS   1           HT2      CYS   1  -0.184  -2.209  -7.232
    3    H3   CYS   1           HT3      CYS   1  -1.625  -1.319  -7.328
    4    HA   CYS   1           HA       CYS   1  -1.252  -0.413  -5.136
    5    HB2  CYS   1           HB2      CYS   1   0.860  -0.770  -4.004
    6    HB3  CYS   1           HB1      CYS   1   0.118  -2.333  -4.318
    7    H    SER   2           HN       SER   2  -0.025   1.553  -4.898
    8    HA   SER   2           HA       SER   2   1.687   2.306  -7.151
    9    HB2  SER   2           HB2      SER   2  -0.730   3.938  -6.318
   10    HB3  SER   2           HB1      SER   2   0.427   4.356  -7.583
   11    HG   SER   2           HG       SER   2  -0.300   2.120  -8.412
   12    H    CYS   3           HN       CYS   3   3.437   2.465  -5.744
   13    HA   CYS   3           HA       CYS   3   3.073   4.302  -3.481
   14    HB2  CYS   3           HB2      CYS   3   5.193   3.155  -2.609
   15    HB3  CYS   3           HB1      CYS   3   3.682   2.253  -2.557
   16    H    ASN   4           HN       ASN   4   3.861   6.180  -3.709
   17    HA   ASN   4           HA       ASN   4   6.605   6.585  -4.392
   18    HB2  ASN   4           HB2      ASN   4   6.333   8.087  -6.232
   19    HB3  ASN   4           HB1      ASN   4   5.453   6.621  -6.632
   20   HD21  ASN   4          HD21      ASN   4   5.227   9.408  -7.567
   21   HD22  ASN   4          HD22      ASN   4   3.568   9.853  -7.312
   22    H    ASP   5           HN       ASP   5   3.450   7.843  -3.553
   23    HA   ASP   5           HA       ASP   5   4.567  10.033  -2.017
   24    HB2  ASP   5           HB2      ASP   5   2.439  10.446  -3.041
   25    HB3  ASP   5           HB1      ASP   5   1.773   8.947  -2.402
   26    H    ILE   6           HN       ILE   6   3.191   6.833  -1.528
   27    HA   ILE   6           HA       ILE   6   3.368   7.028   1.349
   28    HB   ILE   6           HB       ILE   6   2.581   4.697   1.377
   29   HG12  ILE   6          HG12      ILE   6   2.491   4.952  -1.640
   30   HG13  ILE   6          HG11      ILE   6   3.661   3.984  -0.747
   31   HG21  ILE   6          HG21      ILE   6   0.984   6.533   1.372
   32   HG22  ILE   6          HG22      ILE   6   0.344   5.139   0.498
   33   HG23  ILE   6          HG23      ILE   6   0.967   6.531  -0.390
   34   HD11  ILE   6          HD11      ILE   6   0.680   3.568  -0.763
   35   HD12  ILE   6          HD12      ILE   6   1.860   2.586   0.108
   36   HD13  ILE   6          HD13      ILE   6   1.865   2.615  -1.655
   37    H    ASN   7           HN       ASN   7   4.176   4.561   2.137
   38    HA   ASN   7           HA       ASN   7   7.046   4.963   2.021
   39    HB2  ASN   7           HB2      ASN   7   5.480   2.902   3.579
   40    HB3  ASN   7           HB1      ASN   7   7.143   3.398   3.862
   41   HD21  ASN   7          HD21      ASN   7   3.786   4.350   4.052
   42   HD22  ASN   7          HD22      ASN   7   4.027   5.621   5.223
   43    H    ASP   8           HN       ASP   8   8.576   3.420   1.417
   44    HA   ASP   8           HA       ASP   8   7.896   1.541  -0.589
   45    HB2  ASP   8           HB2      ASP   8  10.202   0.870  -0.544
   46    HB3  ASP   8           HB1      ASP   8  10.158   2.610  -0.292
   47    H    LYS   9           HN       LYS   9   8.808   1.115   2.820
   48    HA   LYS   9           HA       LYS   9   8.530  -1.654   3.008
   49    HB2  LYS   9           HB2      LYS   9   9.540  -0.299   4.772
   50    HB3  LYS   9           HB1      LYS   9   7.992   0.468   5.096
   51    HG2  LYS   9           HG2      LYS   9   8.308  -1.142   6.789
   52    HG3  LYS   9           HG1      LYS   9   7.110  -1.817   5.685
   53    HD2  LYS   9           HD2      LYS   9   8.674  -3.549   6.266
   54    HD3  LYS   9           HD1      LYS   9   8.938  -3.097   4.581
   55    HE2  LYS   9           HE2      LYS   9  11.063  -3.362   5.756
   56    HE3  LYS   9           HE1      LYS   9  10.822  -1.692   5.244
   57    HZ1  LYS   9           HZ1      LYS   9  11.688  -1.896   7.525
   58    HZ2  LYS   9           HZ2      LYS   9  10.266  -2.702   7.985
   59    HZ3  LYS   9           HZ3      LYS   9  10.197  -1.090   7.467
   60    H    GLU  10           HN       GLU  10   6.162   0.910   3.435
   61    HA   GLU  10           HA       GLU  10   4.005  -0.747   4.215
   62    HB2  GLU  10           HB2      GLU  10   3.941   1.564   4.760
   63    HB3  GLU  10           HB1      GLU  10   4.230   2.040   3.097
   64    HG2  GLU  10           HG2      GLU  10   2.004   1.255   2.486
   65    HG3  GLU  10           HG1      GLU  10   1.715   0.777   4.163
   66    H    CYS  11           HN       CYS  11   5.099   0.578   1.147
   67    HA   CYS  11           HA       CYS  11   3.029  -0.289  -0.494
   68    HB2  CYS  11           HB2      CYS  11   4.718   1.273  -1.251
   69    HB3  CYS  11           HB1      CYS  11   5.971   0.040  -1.091
   70    H    MET  12           HN       MET  12   6.174  -1.905   0.061
   71    HA   MET  12           HA       MET  12   5.494  -4.238  -1.368
   72    HB2  MET  12           HB2      MET  12   7.432  -5.281  -0.226
   73    HB3  MET  12           HB1      MET  12   7.814  -3.721  -0.941
   74    HG2  MET  12           HG2      MET  12   8.478  -2.919   1.007
   75    HG3  MET  12           HG1      MET  12   6.956  -3.374   1.767
   76    HE1  MET  12           HE1      MET  12   6.793  -6.445   1.707
   77    HE2  MET  12           HE2      MET  12   6.548  -5.469   3.155
   78    HE3  MET  12           HE3      MET  12   7.622  -6.869   3.205
   79    H    TYR  13           HN       TYR  13   4.771  -3.216   1.845
   80    HA   TYR  13           HA       TYR  13   4.253  -5.758   2.970
   81    HB2  TYR  13           HB2      TYR  13   4.578  -4.002   4.508
   82    HB3  TYR  13           HB1      TYR  13   3.429  -2.955   3.689
   83    HD1  TYR  13           HD2      TYR  13   3.651  -6.090   5.666
   84    HD2  TYR  13           HD1      TYR  13   1.216  -2.827   4.444
   85    HE1  TYR  13           HE2      TYR  13   1.907  -6.815   7.236
   86    HE2  TYR  13           HE1      TYR  13  -0.540  -3.542   6.009
   87    HH   TYR  13           HH       TYR  13  -1.260  -5.618   7.144
   88    H    PHE  14           HN       PHE  14   2.225  -3.437   1.211
   89    HA   PHE  14           HA       PHE  14   0.001  -5.327   1.563
   90    HB2  PHE  14           HB2      PHE  14  -1.457  -3.608   1.931
   91    HB3  PHE  14           HB1      PHE  14   0.017  -2.855   2.536
   92    HD1  PHE  14           HD1      PHE  14   1.340  -1.387   0.854
   93    HD2  PHE  14           HD2      PHE  14  -2.684  -2.637   0.309
   94    HE1  PHE  14           HE1      PHE  14   0.997   0.433  -0.775
   95    HE2  PHE  14           HE2      PHE  14  -3.043  -0.841  -1.312
   96    HZ   PHE  14           HZ       PHE  14  -1.199   0.709  -1.869
   97    H    CYS  15           HN       CYS  15   2.095  -4.264  -0.803
   98    HA   CYS  15           HA       CYS  15   0.310  -3.738  -2.933
   99    HB2  CYS  15           HB2      CYS  15   2.706  -3.128  -3.015
  100    HB3  CYS  15           HB1      CYS  15   3.126  -4.835  -3.120
  101    H    HIS  16           HN       HIS  16   1.936  -6.738  -1.931
  102    HA   HIS  16           HA       HIS  16   0.638  -8.381  -3.858
  103    HB2  HIS  16           HB2      HIS  16   1.413 -10.265  -2.534
  104    HB3  HIS  16           HB1      HIS  16   2.704  -9.085  -2.686
  105    HD1  HIS  16           HD1      HIS  16   0.915 -11.087  -0.243
  106    HD2  HIS  16           HD2      HIS  16   3.001  -7.481  -0.211
  107    HE1  HIS  16           HE1      HIS  16   1.479 -10.640   2.172
  108    HE2  HIS  16           HE2      HIS  16   2.896  -8.553   2.139
  109    H    GLN  17           HN       GLN  17  -0.530  -6.720  -1.310
  110    HA   GLN  17           HA       GLN  17  -2.772  -8.558  -0.798
  111    HB2  GLN  17           HB2      GLN  17  -1.232  -8.253   1.131
  112    HB3  GLN  17           HB1      GLN  17  -1.493  -6.517   1.049
  113    HG2  GLN  17           HG2      GLN  17  -2.762  -7.567   2.844
  114    HG3  GLN  17           HG1      GLN  17  -3.809  -6.799   1.649
  115   HE21  GLN  17          HE21      GLN  17  -5.092  -8.084   0.317
  116   HE22  GLN  17          HE22      GLN  17  -5.368  -9.766   0.637
  117    H    ASP  18           HN       ASP  18  -2.507  -6.569  -2.890
  118    HA   ASP  18           HA       ASP  18  -3.114  -4.003  -2.615
  119    HB2  ASP  18           HB2      ASP  18  -2.981  -5.518  -4.741
  120    HB3  ASP  18           HB1      ASP  18  -4.738  -5.511  -4.627
  121    H    VAL  19           HN       VAL  19  -4.427  -3.132  -1.124
  122    HA   VAL  19           HA       VAL  19  -7.047  -4.244  -0.656
  123    HB   VAL  19           HB       VAL  19  -7.136  -2.723   1.271
  124   HG11  VAL  19          HG11      VAL  19  -6.265  -4.978   1.560
  125   HG12  VAL  19          HG12      VAL  19  -5.462  -3.840   2.640
  126   HG13  VAL  19          HG13      VAL  19  -4.642  -4.402   1.185
  127   HG21  VAL  19          HG21      VAL  19  -5.735  -0.933   0.377
  128   HG22  VAL  19          HG22      VAL  19  -4.325  -1.979   0.512
  129   HG23  VAL  19          HG23      VAL  19  -5.181  -1.467   1.963
  130    H    ILE  20           HN       ILE  20  -8.898  -3.160  -0.859
  131    HA   ILE  20           HA       ILE  20  -8.875  -0.730  -2.478
  132    HB   ILE  20           HB       ILE  20 -11.276  -1.088  -2.767
  133   HG12  ILE  20          HG12      ILE  20 -11.982  -3.541  -1.927
  134   HG13  ILE  20          HG11      ILE  20 -10.858  -3.126  -0.639
  135   HG21  ILE  20          HG21      ILE  20  -9.797  -2.159  -4.328
  136   HG22  ILE  20          HG22      ILE  20 -11.159  -3.232  -4.002
  137   HG23  ILE  20          HG23      ILE  20  -9.595  -3.540  -3.248
  138   HD11  ILE  20          HD11      ILE  20 -13.298  -1.557  -1.446
  139   HD12  ILE  20          HD12      ILE  20 -12.163  -1.102  -0.175
  140   HD13  ILE  20          HD13      ILE  20 -13.126  -2.570  -0.013
  141    H    TRP  21           HN       TRP  21  -9.140  -1.738   0.728
  142    HA   TRP  21           HA       TRP  21 -10.574   0.608   1.665
  143    HB2  TRP  21           HB2      TRP  21  -9.101  -1.504   3.258
  144    HB3  TRP  21           HB1      TRP  21 -10.206  -0.296   3.900
  145    HD1  TRP  21           HD1      TRP  21 -10.171  -3.584   1.934
  146    HE1  TRP  21           HE1      TRP  21 -12.527  -4.616   2.025
  147    HE3  TRP  21           HE3      TRP  21 -12.662   0.285   4.173
  148    HZ2  TRP  21           HZ2      TRP  21 -15.100  -3.883   2.924
  149    HZ3  TRP  21           HZ3      TRP  21 -15.069   0.035   4.620
  150    HH2  TRP  21           HH2      TRP  21 -16.261  -2.007   4.007
  151    H    ASP  22           HN       ASP  22  -9.477   2.485   1.618
  152    HA   ASP  22           HA       ASP  22  -6.604   2.496   1.826
  153    HB2  ASP  22           HB2      ASP  22  -6.733   4.897   1.462
  154    HB3  ASP  22           HB1      ASP  22  -7.738   4.062   0.286
  155    H    GLU  23           HN       GLU  23  -5.455   2.769   3.601
  156    HA   GLU  23           HA       GLU  23  -6.814   3.782   6.001
  157    HB2  GLU  23           HB2      GLU  23  -4.778   1.557   5.810
  158    HB3  GLU  23           HB1      GLU  23  -5.286   2.295   7.321
  159    HG2  GLU  23           HG2      GLU  23  -7.626   1.597   6.780
  160    HG3  GLU  23           HG1      GLU  23  -6.972   0.691   5.417
  161    HA   PRO  24           HA       PRO  24  -3.254   6.516   5.713
  162    HB2  PRO  24           HB2      PRO  24  -4.672   8.593   6.946
  163    HB3  PRO  24           HB1      PRO  24  -4.525   8.334   5.208
  164    HG2  PRO  24           HG2      PRO  24  -6.874   8.123   6.778
  165    HG3  PRO  24           HG1      PRO  24  -6.683   7.699   5.069
  166    HD2  PRO  24           HD2      PRO  24  -6.689   5.948   7.465
  167    HD3  PRO  24           HD1      PRO  24  -7.154   5.578   5.790
  Start of MODEL    3
    1    H1   CYS   1           HT1      CYS   1  -1.082  -2.099  -8.054
    2    H2   CYS   1           HT2      CYS   1  -0.703  -3.405  -7.039
    3    H3   CYS   1           HT3      CYS   1   0.511  -2.670  -7.973
    4    HA   CYS   1           HA       CYS   1  -1.022  -1.320  -5.832
    5    HB2  CYS   1           HB2      CYS   1   0.958  -1.515  -4.446
    6    HB3  CYS   1           HB1      CYS   1   0.444  -3.119  -4.952
    7    H    SER   2           HN       SER   2  -0.140   0.758  -5.275
    8    HA   SER   2           HA       SER   2   1.884   1.862  -7.045
    9    HB2  SER   2           HB2      SER   2  -0.900   3.029  -6.828
   10    HB3  SER   2           HB1      SER   2   0.479   3.869  -7.542
   11    HG   SER   2           HG       SER   2   0.287   1.415  -8.610
   12    H    CYS   3           HN       CYS   3   3.315   2.672  -5.704
   13    HA   CYS   3           HA       CYS   3   2.351   4.149  -3.356
   14    HB2  CYS   3           HB2      CYS   3   4.430   3.373  -2.215
   15    HB3  CYS   3           HB1      CYS   3   3.211   2.130  -2.474
   16    H    ASN   4           HN       ASN   4   2.569   5.943  -4.802
   17    HA   ASN   4           HA       ASN   4   5.286   6.776  -5.444
   18    HB2  ASN   4           HB2      ASN   4   2.603   8.029  -6.093
   19    HB3  ASN   4           HB1      ASN   4   4.151   8.731  -6.546
   20   HD21  ASN   4          HD21      ASN   4   3.720   8.604  -8.727
   21   HD22  ASN   4          HD22      ASN   4   3.701   7.103  -9.597
   22    H    ASP   5           HN       ASP   5   2.571   7.609  -3.405
   23    HA   ASP   5           HA       ASP   5   4.044   9.868  -2.252
   24    HB2  ASP   5           HB2      ASP   5   1.162   9.034  -1.843
   25    HB3  ASP   5           HB1      ASP   5   1.904  10.521  -1.264
   26    H    ILE   6           HN       ILE   6   3.840   6.667  -1.677
   27    HA   ILE   6           HA       ILE   6   4.020   7.053   1.233
   28    HB   ILE   6           HB       ILE   6   3.166   4.687   1.481
   29   HG12  ILE   6          HG12      ILE   6   2.254   5.182  -1.352
   30   HG13  ILE   6          HG11      ILE   6   3.426   3.973  -0.841
   31   HG21  ILE   6          HG21      ILE   6   1.257   6.746   0.389
   32   HG22  ILE   6          HG22      ILE   6   1.860   6.671   2.045
   33   HG23  ILE   6          HG23      ILE   6   0.838   5.377   1.421
   34   HD11  ILE   6          HD11      ILE   6   1.691   2.843   0.444
   35   HD12  ILE   6          HD12      ILE   6   1.266   2.970  -1.264
   36   HD13  ILE   6          HD13      ILE   6   0.519   4.049  -0.086
   37    H    ASN   7           HN       ASN   7   5.035   5.005   2.263
   38    HA   ASN   7           HA       ASN   7   7.733   5.087   1.234
   39    HB2  ASN   7           HB2      ASN   7   8.399   4.284   3.384
   40    HB3  ASN   7           HB1      ASN   7   7.129   5.476   3.641
   41   HD21  ASN   7          HD21      ASN   7   5.028   4.735   4.189
   42   HD22  ASN   7          HD22      ASN   7   4.820   3.208   4.974
   43    H    ASP   8           HN       ASP   8   9.108   3.086   1.546
   44    HA   ASP   8           HA       ASP   8   8.281   1.132  -0.321
   45    HB2  ASP   8           HB2      ASP   8  10.603   1.621  -0.178
   46    HB3  ASP   8           HB1      ASP   8  10.642   1.302   1.551
   47    H    LYS   9           HN       LYS   9   8.810   0.925   3.193
   48    HA   LYS   9           HA       LYS   9   8.373  -1.831   3.413
   49    HB2  LYS   9           HB2      LYS   9   8.072   0.349   5.478
   50    HB3  LYS   9           HB1      LYS   9   8.022  -1.371   5.849
   51    HG2  LYS   9           HG2      LYS   9  10.350   0.068   4.581
   52    HG3  LYS   9           HG1      LYS   9  10.227  -0.387   6.283
   53    HD2  LYS   9           HD2      LYS   9  10.278  -2.694   5.770
   54    HD3  LYS   9           HD1      LYS   9  10.015  -2.395   4.053
   55    HE2  LYS   9           HE2      LYS   9  12.468  -1.571   5.601
   56    HE3  LYS   9           HE1      LYS   9  12.354  -3.000   4.577
   57    HZ1  LYS   9           HZ1      LYS   9  12.199  -0.162   3.741
   58    HZ2  LYS   9           HZ2      LYS   9  11.784  -1.442   2.715
   59    HZ3  LYS   9           HZ3      LYS   9  13.367  -1.307   3.308
   60    H    GLU  10           HN       GLU  10   6.085   0.842   3.781
   61    HA   GLU  10           HA       GLU  10   3.871  -0.862   4.348
   62    HB2  GLU  10           HB2      GLU  10   3.790   1.493   4.947
   63    HB3  GLU  10           HB1      GLU  10   3.994   1.959   3.264
   64    HG2  GLU  10           HG2      GLU  10   1.829   1.050   2.708
   65    HG3  GLU  10           HG1      GLU  10   1.621   0.456   4.356
   66    H    CYS  11           HN       CYS  11   5.212   0.599   1.429
   67    HA   CYS  11           HA       CYS  11   3.230  -0.094  -0.389
   68    HB2  CYS  11           HB2      CYS  11   5.023   1.431  -0.962
   69    HB3  CYS  11           HB1      CYS  11   6.210   0.140  -0.798
   70    H    MET  12           HN       MET  12   6.243  -1.872   0.318
   71    HA   MET  12           HA       MET  12   5.640  -4.067  -1.332
   72    HB2  MET  12           HB2      MET  12   7.388  -5.273  -0.044
   73    HB3  MET  12           HB1      MET  12   7.911  -3.693  -0.605
   74    HG2  MET  12           HG2      MET  12   8.320  -2.993   1.455
   75    HG3  MET  12           HG1      MET  12   6.749  -3.547   2.033
   76    HE1  MET  12           HE1      MET  12   6.846  -6.666   1.429
   77    HE2  MET  12           HE2      MET  12   6.248  -5.920   2.910
   78    HE3  MET  12           HE3      MET  12   7.418  -7.238   2.999
   79    H    TYR  13           HN       TYR  13   4.867  -3.371   2.020
   80    HA   TYR  13           HA       TYR  13   4.046  -5.932   2.803
   81    HB2  TYR  13           HB2      TYR  13   4.424  -4.267   4.477
   82    HB3  TYR  13           HB1      TYR  13   3.242  -3.180   3.757
   83    HD1  TYR  13           HD2      TYR  13   3.498  -6.546   5.355
   84    HD2  TYR  13           HD1      TYR  13   1.088  -3.120   4.608
   85    HE1  TYR  13           HE2      TYR  13   1.754  -7.455   6.834
   86    HE2  TYR  13           HE1      TYR  13  -0.659  -4.022   6.078
   87    HH   TYR  13           HH       TYR  13  -0.140  -6.640   8.169
   88    H    PHE  14           HN       PHE  14   2.249  -3.321   1.200
   89    HA   PHE  14           HA       PHE  14  -0.117  -5.051   1.259
   90    HB2  PHE  14           HB2      PHE  14  -1.476  -3.199   1.296
   91    HB3  PHE  14           HB1      PHE  14  -0.072  -2.587   2.164
   92    HD1  PHE  14           HD1      PHE  14   1.613  -1.250   0.874
   93    HD2  PHE  14           HD2      PHE  14  -2.259  -2.121  -0.629
   94    HE1  PHE  14           HE1      PHE  14   1.828   0.610  -0.718
   95    HE2  PHE  14           HE2      PHE  14  -2.061  -0.257  -2.228
   96    HZ   PHE  14           HZ       PHE  14  -0.124   1.085  -2.317
   97    H    CYS  15           HN       CYS  15   2.313  -4.177  -0.886
   98    HA   CYS  15           HA       CYS  15   0.842  -3.648  -3.223
   99    HB2  CYS  15           HB2      CYS  15   3.235  -3.233  -3.138
  100    HB3  CYS  15           HB1      CYS  15   3.557  -4.957  -2.969
  101    H    HIS  16           HN       HIS  16   2.022  -6.717  -1.913
  102    HA   HIS  16           HA       HIS  16   0.650  -8.221  -3.972
  103    HB2  HIS  16           HB2      HIS  16   1.493 -10.191  -2.848
  104    HB3  HIS  16           HB1      HIS  16   2.792  -9.048  -3.127
  105    HD1  HIS  16           HD1      HIS  16   2.098 -11.418  -0.813
  106    HD2  HIS  16           HD2      HIS  16   2.746  -7.332  -0.399
  107    HE1  HIS  16           HE1      HIS  16   2.832 -11.087   1.569
  108    HE2  HIS  16           HE2      HIS  16   3.427  -8.642   1.726
  109    H    GLN  17           HN       GLN  17  -0.631  -6.526  -1.828
  110    HA   GLN  17           HA       GLN  17  -2.630  -8.482  -0.915
  111    HB2  GLN  17           HB2      GLN  17  -1.498  -7.576   1.002
  112    HB3  GLN  17           HB1      GLN  17  -1.652  -5.936   0.387
  113    HG2  GLN  17           HG2      GLN  17  -3.195  -6.355   2.210
  114    HG3  GLN  17           HG1      GLN  17  -4.056  -6.017   0.709
  115   HE21  GLN  17          HE21      GLN  17  -5.917  -7.035   1.358
  116   HE22  GLN  17          HE22      GLN  17  -6.034  -8.758   1.513
  117    H    ASP  18           HN       ASP  18  -2.197  -5.059  -1.682
  118    HA   ASP  18           HA       ASP  18  -3.388  -3.546  -2.840
  119    HB2  ASP  18           HB2      ASP  18  -3.408  -5.340  -4.601
  120    HB3  ASP  18           HB1      ASP  18  -4.982  -5.836  -3.990
  121    H    VAL  19           HN       VAL  19  -4.311  -2.560  -1.110
  122    HA   VAL  19           HA       VAL  19  -6.828  -3.528  -0.065
  123    HB   VAL  19           HB       VAL  19  -6.646  -1.446   1.391
  124   HG11  VAL  19          HG11      VAL  19  -6.085  -3.682   2.187
  125   HG12  VAL  19          HG12      VAL  19  -4.994  -2.478   2.871
  126   HG13  VAL  19          HG13      VAL  19  -4.452  -3.506   1.546
  127   HG21  VAL  19          HG21      VAL  19  -4.364  -0.503   1.610
  128   HG22  VAL  19          HG22      VAL  19  -5.119  -0.132   0.061
  129   HG23  VAL  19          HG23      VAL  19  -3.895  -1.395   0.162
  130    H    ILE  20           HN       ILE  20  -8.324  -3.263  -1.631
  131    HA   ILE  20           HA       ILE  20  -8.625  -0.630  -2.850
  132    HB   ILE  20           HB       ILE  20 -10.476  -1.920  -4.156
  133   HG12  ILE  20          HG12      ILE  20  -9.659  -4.340  -4.502
  134   HG13  ILE  20          HG11      ILE  20  -8.855  -4.147  -2.952
  135   HG21  ILE  20          HG21      ILE  20  -8.760  -2.668  -5.789
  136   HG22  ILE  20          HG22      ILE  20  -7.525  -2.326  -4.577
  137   HG23  ILE  20          HG23      ILE  20  -8.528  -1.020  -5.208
  138   HD11  ILE  20          HD11      ILE  20 -11.014  -3.687  -1.904
  139   HD12  ILE  20          HD12      ILE  20 -10.985  -5.265  -2.699
  140   HD13  ILE  20          HD13      ILE  20 -11.807  -3.904  -3.465
  141    H    TRP  21           HN       TRP  21  -9.453  -1.648  -0.059
  142    HA   TRP  21           HA       TRP  21 -12.286  -0.910  -0.130
  143    HB2  TRP  21           HB2      TRP  21 -10.640  -1.918   2.204
  144    HB3  TRP  21           HB1      TRP  21 -12.394  -1.763   2.137
  145    HD1  TRP  21           HD1      TRP  21  -9.529  -3.969   0.857
  146    HE1  TRP  21           HE1      TRP  21 -10.511  -6.203   0.040
  147    HE3  TRP  21           HE3      TRP  21 -14.509  -2.837   1.188
  148    HZ2  TRP  21           HZ2      TRP  21 -13.063  -7.329  -0.415
  149    HZ3  TRP  21           HZ3      TRP  21 -16.151  -4.546   0.535
  150    HH2  TRP  21           HH2      TRP  21 -15.445  -6.744  -0.250
  151    H    ASP  22           HN       ASP  22 -12.583   1.227  -0.068
  152    HA   ASP  22           HA       ASP  22 -10.571   2.991   0.915
  153    HB2  ASP  22           HB2      ASP  22 -12.134   4.802   0.350
  154    HB3  ASP  22           HB1      ASP  22 -11.973   3.649  -0.969
  155    H    GLU  23           HN       GLU  23 -13.892   2.347   2.026
  156    HA   GLU  23           HA       GLU  23 -14.939   2.645   4.007
  157    HB2  GLU  23           HB2      GLU  23 -12.171   2.214   5.145
  158    HB3  GLU  23           HB1      GLU  23 -13.676   2.122   6.050
  159    HG2  GLU  23           HG2      GLU  23 -14.393   0.247   4.623
  160    HG3  GLU  23           HG1      GLU  23 -12.839   0.318   3.791
  161    HA   PRO  24           HA       PRO  24 -14.256   7.153   3.961
  162    HB2  PRO  24           HB2      PRO  24 -16.673   7.506   5.356
  163    HB3  PRO  24           HB1      PRO  24 -16.439   7.624   3.612
  164    HG2  PRO  24           HG2      PRO  24 -17.453   5.353   5.239
  165    HG3  PRO  24           HG1      PRO  24 -17.911   5.861   3.603
  166    HD2  PRO  24           HD2      PRO  24 -16.363   3.721   4.007
  167    HD3  PRO  24           HD1      PRO  24 -16.078   4.809   2.632
  Start of MODEL    4
    1    H1   CYS   1           HT1      CYS   1  -1.588  -2.031  -6.914
    2    H2   CYS   1           HT2      CYS   1  -0.861  -3.506  -6.508
    3    H3   CYS   1           HT3      CYS   1  -0.331  -2.646  -7.874
    4    HA   CYS   1           HA       CYS   1  -0.105  -1.737  -5.062
    5    HB2  CYS   1           HB2      CYS   1   2.137  -2.422  -6.952
    6    HB3  CYS   1           HB1      CYS   1   2.227  -2.149  -5.220
    7    H    SER   2           HN       SER   2   0.097   0.377  -4.858
    8    HA   SER   2           HA       SER   2   1.335   1.980  -6.927
    9    HB2  SER   2           HB2      SER   2  -0.650   3.582  -6.909
   10    HB3  SER   2           HB1      SER   2  -0.895   2.059  -7.763
   11    HG   SER   2           HG       SER   2  -1.824   2.788  -5.184
   12    H    CYS   3           HN       CYS   3   2.921   2.552  -5.453
   13    HA   CYS   3           HA       CYS   3   1.971   4.083  -3.123
   14    HB2  CYS   3           HB2      CYS   3   4.295   3.683  -2.213
   15    HB3  CYS   3           HB1      CYS   3   3.249   2.270  -2.304
   16    H    ASN   4           HN       ASN   4   1.790   6.075  -3.934
   17    HA   ASN   4           HA       ASN   4   3.870   7.255  -5.564
   18    HB2  ASN   4           HB2      ASN   4   1.401   8.531  -4.359
   19    HB3  ASN   4           HB1      ASN   4   2.458   9.261  -5.561
   20   HD21  ASN   4          HD21      ASN   4  -0.354   8.765  -5.716
   21   HD22  ASN   4          HD22      ASN   4  -0.605   7.726  -7.081
   22    H    ASP   5           HN       ASP   5   2.385   7.962  -2.427
   23    HA   ASP   5           HA       ASP   5   4.555   9.816  -1.811
   24    HB2  ASP   5           HB2      ASP   5   3.055  10.592  -0.010
   25    HB3  ASP   5           HB1      ASP   5   2.279  10.660  -1.588
   26    H    ILE   6           HN       ILE   6   3.253   6.754  -0.835
   27    HA   ILE   6           HA       ILE   6   4.691   6.756   1.678
   28    HB   ILE   6           HB       ILE   6   3.759   4.455   1.951
   29   HG12  ILE   6          HG12      ILE   6   2.271   5.141  -0.592
   30   HG13  ILE   6          HG11      ILE   6   3.530   3.921  -0.453
   31   HG21  ILE   6          HG21      ILE   6   1.467   5.233   2.329
   32   HG22  ILE   6          HG22      ILE   6   1.801   6.668   1.360
   33   HG23  ILE   6          HG23      ILE   6   2.659   6.413   2.880
   34   HD11  ILE   6          HD11      ILE   6   0.869   3.880   0.951
   35   HD12  ILE   6          HD12      ILE   6   2.127   2.650   1.090
   36   HD13  ILE   6          HD13      ILE   6   1.323   2.920  -0.458
   37    H    ASN   7           HN       ASN   7   6.210   5.217   2.278
   38    HA   ASN   7           HA       ASN   7   8.202   4.860   0.236
   39    HB2  ASN   7           HB2      ASN   7   9.714   4.574   1.983
   40    HB3  ASN   7           HB1      ASN   7   8.497   5.620   2.704
   41   HD21  ASN   7          HD21      ASN   7   6.831   4.557   4.032
   42   HD22  ASN   7          HD22      ASN   7   7.298   3.167   4.950
   43    H    ASP   8           HN       ASP   8   9.601   2.719   0.669
   44    HA   ASP   8           HA       ASP   8   8.183   0.758  -0.739
   45    HB2  ASP   8           HB2      ASP   8  10.823   0.510   0.721
   46    HB3  ASP   8           HB1      ASP   8  10.200  -0.646  -0.450
   47    H    LYS   9           HN       LYS   9   8.914   1.033   2.704
   48    HA   LYS   9           HA       LYS   9   8.418  -1.564   3.540
   49    HB2  LYS   9           HB2      LYS   9   7.886   1.062   4.915
   50    HB3  LYS   9           HB1      LYS   9   7.658  -0.487   5.711
   51    HG2  LYS   9           HG2      LYS   9   9.979  -1.011   5.500
   52    HG3  LYS   9           HG1      LYS   9  10.257   0.424   4.507
   53    HD2  LYS   9           HD2      LYS   9  10.978   0.768   6.826
   54    HD3  LYS   9           HD1      LYS   9   9.661   1.858   6.382
   55    HE2  LYS   9           HE2      LYS   9   8.082   0.246   7.451
   56    HE3  LYS   9           HE1      LYS   9   9.482  -0.664   8.024
   57    HZ1  LYS   9           HZ1      LYS   9   8.675   0.832   9.723
   58    HZ2  LYS   9           HZ2      LYS   9   8.837   2.162   8.687
   59    HZ3  LYS   9           HZ3      LYS   9  10.218   1.324   9.211
   60    H    GLU  10           HN       GLU  10   6.058   1.105   3.560
   61    HA   GLU  10           HA       GLU  10   3.883  -0.658   4.110
   62    HB2  GLU  10           HB2      GLU  10   3.775   1.639   4.874
   63    HB3  GLU  10           HB1      GLU  10   3.938   2.234   3.226
   64    HG2  GLU  10           HG2      GLU  10   1.783   1.532   2.639
   65    HG3  GLU  10           HG1      GLU  10   1.641   0.501   4.063
   66    H    CYS  11           HN       CYS  11   5.295   0.764   1.257
   67    HA   CYS  11           HA       CYS  11   3.299   0.274  -0.613
   68    HB2  CYS  11           HB2      CYS  11   5.324   1.599  -1.073
   69    HB3  CYS  11           HB1      CYS  11   6.293   0.131  -0.995
   70    H    MET  12           HN       MET  12   6.053  -1.824   0.289
   71    HA   MET  12           HA       MET  12   5.208  -3.977  -1.358
   72    HB2  MET  12           HB2      MET  12   6.963  -5.244  -0.364
   73    HB3  MET  12           HB1      MET  12   7.553  -3.597  -0.518
   74    HG2  MET  12           HG2      MET  12   8.268  -4.124   1.587
   75    HG3  MET  12           HG1      MET  12   6.710  -3.384   1.949
   76    HE1  MET  12           HE1      MET  12   6.295  -5.983   4.654
   77    HE2  MET  12           HE2      MET  12   5.894  -4.358   4.096
   78    HE3  MET  12           HE3      MET  12   7.581  -4.822   4.324
   79    H    TYR  13           HN       TYR  13   4.551  -3.021   1.928
   80    HA   TYR  13           HA       TYR  13   3.591  -5.380   3.023
   81    HB2  TYR  13           HB2      TYR  13   3.915  -3.480   4.439
   82    HB3  TYR  13           HB1      TYR  13   2.791  -2.506   3.500
   83    HD1  TYR  13           HD2      TYR  13   3.060  -5.270   5.930
   84    HD2  TYR  13           HD1      TYR  13   0.428  -2.612   3.895
   85    HE1  TYR  13           HE2      TYR  13   1.231  -5.927   7.442
   86    HE2  TYR  13           HE1      TYR  13  -1.402  -3.259   5.401
   87    HH   TYR  13           HH       TYR  13  -2.032  -5.143   6.831
   88    H    PHE  14           HN       PHE  14   1.773  -2.866   1.269
   89    HA   PHE  14           HA       PHE  14  -0.502  -4.695   1.239
   90    HB2  PHE  14           HB2      PHE  14  -1.908  -2.874   0.866
   91    HB3  PHE  14           HB1      PHE  14  -0.664  -2.197   1.913
   92    HD1  PHE  14           HD1      PHE  14   1.222  -0.894   0.816
   93    HD2  PHE  14           HD2      PHE  14  -2.371  -1.965  -1.182
   94    HE1  PHE  14           HE1      PHE  14   1.632   0.862  -0.853
   95    HE2  PHE  14           HE2      PHE  14  -1.972  -0.227  -2.864
   96    HZ   PHE  14           HZ       PHE  14   0.035   1.203  -2.704
   97    H    CYS  15           HN       CYS  15   2.112  -4.079  -0.696
   98    HA   CYS  15           HA       CYS  15   0.911  -4.069  -3.250
   99    HB2  CYS  15           HB2      CYS  15   3.324  -3.574  -2.850
  100    HB3  CYS  15           HB1      CYS  15   3.585  -5.287  -2.532
  101    H    HIS  16           HN       HIS  16   2.100  -6.780  -1.254
  102    HA   HIS  16           HA       HIS  16   0.903  -8.702  -3.062
  103    HB2  HIS  16           HB2      HIS  16   1.769 -10.404  -1.637
  104    HB3  HIS  16           HB1      HIS  16   3.036  -9.216  -1.892
  105    HD1  HIS  16           HD1      HIS  16   1.677 -11.238   0.664
  106    HD2  HIS  16           HD2      HIS  16   2.972  -7.285   0.524
  107    HE1  HIS  16           HE1      HIS  16   2.202 -10.609   3.039
  108    HE2  HIS  16           HE2      HIS  16   2.850  -8.176   2.953
  109    H    GLN  17           HN       GLN  17  -0.892  -7.025  -2.315
  110    HA   GLN  17           HA       GLN  17  -2.842  -8.483  -0.771
  111    HB2  GLN  17           HB2      GLN  17  -1.594  -7.325   0.968
  112    HB3  GLN  17           HB1      GLN  17  -1.734  -5.807   0.100
  113    HG2  GLN  17           HG2      GLN  17  -3.241  -5.852   1.964
  114    HG3  GLN  17           HG1      GLN  17  -4.146  -5.832   0.452
  115   HE21  GLN  17          HE21      GLN  17  -5.303  -7.663  -0.166
  116   HE22  GLN  17          HE22      GLN  17  -5.671  -8.936   0.948
  117    H    ASP  18           HN       ASP  18  -1.904  -5.443  -2.219
  118    HA   ASP  18           HA       ASP  18  -2.876  -3.933  -3.550
  119    HB2  ASP  18           HB2      ASP  18  -3.159  -6.424  -4.750
  120    HB3  ASP  18           HB1      ASP  18  -4.745  -5.675  -4.915
  121    H    VAL  19           HN       VAL  19  -3.911  -3.448  -1.313
  122    HA   VAL  19           HA       VAL  19  -6.800  -3.571  -1.444
  123    HB   VAL  19           HB       VAL  19  -6.600  -2.125   0.677
  124   HG11  VAL  19          HG11      VAL  19  -5.542  -4.945   0.629
  125   HG12  VAL  19          HG12      VAL  19  -7.234  -4.458   0.740
  126   HG13  VAL  19          HG13      VAL  19  -6.127  -4.106   2.066
  127   HG21  VAL  19          HG21      VAL  19  -3.751  -3.082   0.443
  128   HG22  VAL  19          HG22      VAL  19  -4.464  -2.351   1.882
  129   HG23  VAL  19          HG23      VAL  19  -4.300  -1.408   0.401
  130    H    ILE  20           HN       ILE  20  -7.606  -2.301  -2.946
  131    HA   ILE  20           HA       ILE  20  -6.477   0.261  -3.615
  132    HB   ILE  20           HB       ILE  20  -8.595   0.392  -5.078
  133   HG12  ILE  20          HG12      ILE  20  -9.405  -1.969  -5.684
  134   HG13  ILE  20          HG11      ILE  20  -8.748  -2.464  -4.132
  135   HG21  ILE  20          HG21      ILE  20  -6.357  -0.048  -5.922
  136   HG22  ILE  20          HG22      ILE  20  -7.555  -1.006  -6.791
  137   HG23  ILE  20          HG23      ILE  20  -6.545  -1.764  -5.560
  138   HD11  ILE  20          HD11      ILE  20 -10.239  -0.885  -3.009
  139   HD12  ILE  20          HD12      ILE  20 -11.131  -2.055  -3.983
  140   HD13  ILE  20          HD13      ILE  20 -10.899  -0.410  -4.573
  141    H    TRP  21           HN       TRP  21  -7.722  -0.278  -0.915
  142    HA   TRP  21           HA       TRP  21 -10.020   1.504  -0.997
  143    HB2  TRP  21           HB2      TRP  21  -9.060  -0.525   0.985
  144    HB3  TRP  21           HB1      TRP  21 -10.280   0.675   1.419
  145    HD1  TRP  21           HD1      TRP  21  -9.841  -2.543  -0.523
  146    HE1  TRP  21           HE1      TRP  21 -12.135  -3.285  -1.435
  147    HE3  TRP  21           HE3      TRP  21 -12.469   1.702   0.445
  148    HZ2  TRP  21           HZ2      TRP  21 -14.727  -2.181  -1.720
  149    HZ3  TRP  21           HZ3      TRP  21 -14.848   1.802  -0.185
  150    HH2  TRP  21           HH2      TRP  21 -15.952  -0.098  -1.251
  151    H    ASP  22           HN       ASP  22  -7.816   2.840  -1.441
  152    HA   ASP  22           HA       ASP  22  -7.319   4.352   1.021
  153    HB2  ASP  22           HB2      ASP  22  -5.715   5.655  -0.394
  154    HB3  ASP  22           HB1      ASP  22  -5.315   3.944  -0.285
  155    H    GLU  23           HN       GLU  23  -9.309   4.114  -1.623
  156    HA   GLU  23           HA       GLU  23 -10.194   6.866  -1.717
  157    HB2  GLU  23           HB2      GLU  23 -11.378   4.327  -2.868
  158    HB3  GLU  23           HB1      GLU  23 -11.970   5.947  -3.196
  159    HG2  GLU  23           HG2      GLU  23  -9.136   5.224  -3.798
  160    HG3  GLU  23           HG1      GLU  23 -10.432   4.773  -4.902
  161    HA   PRO  24           HA       PRO  24 -12.900   6.098   1.759
  162    HB2  PRO  24           HB2      PRO  24 -13.822   8.595   2.066
  163    HB3  PRO  24           HB1      PRO  24 -12.151   8.173   2.455
  164    HG2  PRO  24           HG2      PRO  24 -13.244   9.566   0.052
  165    HG3  PRO  24           HG1      PRO  24 -11.748   9.882   0.950
  166    HD2  PRO  24           HD2      PRO  24 -11.917   8.445  -1.417
  167    HD3  PRO  24           HD1      PRO  24 -10.578   8.350  -0.260
  Start of MODEL    5
    1    H1   CYS   1           HT1      CYS   1   1.275  -2.922  -7.538
    2    H2   CYS   1           HT2      CYS   1  -0.398  -2.962  -7.807
    3    H3   CYS   1           HT3      CYS   1   0.316  -4.086  -6.765
    4    HA   CYS   1           HA       CYS   1  -0.849  -2.363  -5.560
    5    HB2  CYS   1           HB2      CYS   1   1.071  -1.686  -4.100
    6    HB3  CYS   1           HB1      CYS   1   0.978  -3.412  -4.426
    7    H    SER   2           HN       SER   2  -0.215  -0.077  -4.582
    8    HA   SER   2           HA       SER   2   0.528   1.761  -6.725
    9    HB2  SER   2           HB2      SER   2  -2.060   2.045  -5.184
   10    HB3  SER   2           HB1      SER   2  -1.502   3.044  -6.524
   11    HG   SER   2           HG       SER   2  -1.755   1.290  -7.904
   12    H    CYS   3           HN       CYS   3   2.283   2.600  -5.648
   13    HA   CYS   3           HA       CYS   3   1.639   4.045  -3.179
   14    HB2  CYS   3           HB2      CYS   3   3.966   3.534  -2.374
   15    HB3  CYS   3           HB1      CYS   3   2.859   2.168  -2.398
   16    H    ASN   4           HN       ASN   4   1.554   6.027  -3.938
   17    HA   ASN   4           HA       ASN   4   3.248   6.998  -6.027
   18    HB2  ASN   4           HB2      ASN   4   0.998   7.818  -5.919
   19    HB3  ASN   4           HB1      ASN   4   1.208   8.333  -4.251
   20   HD21  ASN   4          HD21      ASN   4   2.169  10.288  -3.812
   21   HD22  ASN   4          HD22      ASN   4   2.578  11.434  -5.052
   22    H    ASP   5           HN       ASP   5   2.919   7.784  -2.563
   23    HA   ASP   5           HA       ASP   5   5.598   8.994  -2.682
   24    HB2  ASP   5           HB2      ASP   5   4.770  10.828  -1.202
   25    HB3  ASP   5           HB1      ASP   5   4.064  10.838  -2.815
   26    H    ILE   6           HN       ILE   6   3.459   6.916  -1.047
   27    HA   ILE   6           HA       ILE   6   4.559   7.149   1.562
   28    HB   ILE   6           HB       ILE   6   3.626   4.860   1.955
   29   HG12  ILE   6          HG12      ILE   6   2.613   5.170  -0.872
   30   HG13  ILE   6          HG11      ILE   6   3.841   4.020  -0.350
   31   HG21  ILE   6          HG21      ILE   6   1.772   6.930   0.801
   32   HG22  ILE   6          HG22      ILE   6   2.347   6.838   2.467
   33   HG23  ILE   6          HG23      ILE   6   1.287   5.580   1.827
   34   HD11  ILE   6          HD11      ILE   6   1.697   2.938  -0.607
   35   HD12  ILE   6          HD12      ILE   6   0.966   4.067   0.534
   36   HD13  ILE   6          HD13      ILE   6   2.194   2.927   1.085
   37    H    ASN   7           HN       ASN   7   5.848   5.571   2.658
   38    HA   ASN   7           HA       ASN   7   8.278   5.117   1.283
   39    HB2  ASN   7           HB2      ASN   7   8.872   3.903   3.476
   40    HB3  ASN   7           HB1      ASN   7   8.520   5.628   3.546
   41   HD21  ASN   7          HD21      ASN   7   7.338   2.439   4.271
   42   HD22  ASN   7          HD22      ASN   7   6.098   2.932   5.378
   43    H    ASP   8           HN       ASP   8   9.467   3.031   1.432
   44    HA   ASP   8           HA       ASP   8   8.266   1.238  -0.339
   45    HB2  ASP   8           HB2      ASP   8  10.637   1.468  -0.345
   46    HB3  ASP   8           HB1      ASP   8  10.752   1.024   1.355
   47    H    LYS   9           HN       LYS   9   8.999   0.789   3.132
   48    HA   LYS   9           HA       LYS   9   8.249  -1.892   3.243
   49    HB2  LYS   9           HB2      LYS   9   8.051  -1.602   5.680
   50    HB3  LYS   9           HB1      LYS   9   9.525  -0.899   5.033
   51    HG2  LYS   9           HG2      LYS   9   8.450   1.321   5.108
   52    HG3  LYS   9           HG1      LYS   9   7.039   0.579   5.869
   53    HD2  LYS   9           HD2      LYS   9   9.843   0.460   6.975
   54    HD3  LYS   9           HD1      LYS   9   8.623   1.630   7.481
   55    HE2  LYS   9           HE2      LYS   9   7.212  -0.117   8.318
   56    HE3  LYS   9           HE1      LYS   9   8.268  -1.356   7.640
   57    HZ1  LYS   9           HZ1      LYS   9   9.915  -0.910   9.204
   58    HZ2  LYS   9           HZ2      LYS   9   8.483  -0.852  10.109
   59    HZ3  LYS   9           HZ3      LYS   9   9.253   0.586   9.642
   60    H    GLU  10           HN       GLU  10   6.223   0.987   3.507
   61    HA   GLU  10           HA       GLU  10   3.892  -0.508   4.248
   62    HB2  GLU  10           HB2      GLU  10   4.196   1.938   4.725
   63    HB3  GLU  10           HB1      GLU  10   3.996   2.245   3.005
   64    HG2  GLU  10           HG2      GLU  10   1.752   1.397   3.053
   65    HG3  GLU  10           HG1      GLU  10   1.938   0.888   4.730
   66    H    CYS  11           HN       CYS  11   5.176   0.871   1.254
   67    HA   CYS  11           HA       CYS  11   3.100   0.155  -0.456
   68    HB2  CYS  11           HB2      CYS  11   4.898   1.642  -1.163
   69    HB3  CYS  11           HB1      CYS  11   6.058   0.320  -1.049
   70    H    MET  12           HN       MET  12   6.067  -1.656   0.336
   71    HA   MET  12           HA       MET  12   5.449  -3.894  -1.258
   72    HB2  MET  12           HB2      MET  12   7.310  -4.943  -0.287
   73    HB3  MET  12           HB1      MET  12   7.708  -3.235  -0.228
   74    HG2  MET  12           HG2      MET  12   8.345  -3.900   1.863
   75    HG3  MET  12           HG1      MET  12   6.688  -3.383   2.177
   76    HE1  MET  12           HE1      MET  12   6.369  -6.307   4.552
   77    HE2  MET  12           HE2      MET  12   5.752  -4.718   4.101
   78    HE3  MET  12           HE3      MET  12   7.465  -4.926   4.466
   79    H    TYR  13           HN       TYR  13   4.587  -3.015   2.032
   80    HA   TYR  13           HA       TYR  13   3.734  -5.478   2.995
   81    HB2  TYR  13           HB2      TYR  13   3.777  -3.855   4.642
   82    HB3  TYR  13           HB1      TYR  13   3.008  -2.646   3.622
   83    HD1  TYR  13           HD2      TYR  13   2.232  -5.913   5.274
   84    HD2  TYR  13           HD1      TYR  13   0.803  -2.106   4.027
   85    HE1  TYR  13           HE2      TYR  13   0.049  -6.399   6.301
   86    HE2  TYR  13           HE1      TYR  13  -1.377  -2.581   5.051
   87    HH   TYR  13           HH       TYR  13  -1.913  -5.372   7.060
   88    H    PHE  14           HN       PHE  14   1.819  -3.010   1.260
   89    HA   PHE  14           HA       PHE  14  -0.307  -5.013   1.072
   90    HB2  PHE  14           HB2      PHE  14  -1.843  -3.281   0.662
   91    HB3  PHE  14           HB1      PHE  14  -0.755  -2.621   1.881
   92    HD1  PHE  14           HD1      PHE  14   1.126  -1.133   1.087
   93    HD2  PHE  14           HD2      PHE  14  -2.202  -2.167  -1.336
   94    HE1  PHE  14           HE1      PHE  14   1.574   0.812  -0.348
   95    HE2  PHE  14           HE2      PHE  14  -1.767  -0.227  -2.773
   96    HZ   PHE  14           HZ       PHE  14   0.099   1.233  -2.343
   97    H    CYS  15           HN       CYS  15   2.307  -4.184  -0.712
   98    HA   CYS  15           HA       CYS  15   1.230  -3.893  -3.291
   99    HB2  CYS  15           HB2      CYS  15   3.625  -3.434  -2.629
  100    HB3  CYS  15           HB1      CYS  15   3.896  -5.173  -2.690
  101    H    HIS  16           HN       HIS  16   1.953  -6.768  -1.402
  102    HA   HIS  16           HA       HIS  16   1.188  -8.502  -3.616
  103    HB2  HIS  16           HB2      HIS  16   1.725 -10.338  -2.169
  104    HB3  HIS  16           HB1      HIS  16   3.045  -9.186  -2.133
  105    HD1  HIS  16           HD1      HIS  16   0.929 -11.169   0.010
  106    HD2  HIS  16           HD2      HIS  16   2.891  -7.512   0.372
  107    HE1  HIS  16           HE1      HIS  16   1.114 -10.731   2.479
  108    HE2  HIS  16           HE2      HIS  16   2.460  -8.611   2.677
  109    H    GLN  17           HN       GLN  17  -0.572  -6.602  -2.157
  110    HA   GLN  17           HA       GLN  17  -2.704  -8.453  -1.351
  111    HB2  GLN  17           HB2      GLN  17  -1.778  -7.608   0.676
  112    HB3  GLN  17           HB1      GLN  17  -1.713  -5.970   0.040
  113    HG2  GLN  17           HG2      GLN  17  -3.469  -6.220   1.676
  114    HG3  GLN  17           HG1      GLN  17  -4.125  -5.832   0.089
  115   HE21  GLN  17          HE21      GLN  17  -6.140  -6.652   0.582
  116   HE22  GLN  17          HE22      GLN  17  -6.453  -8.344   0.750
  117    H    ASP  18           HN       ASP  18  -1.996  -5.076  -2.192
  118    HA   ASP  18           HA       ASP  18  -3.183  -3.418  -3.118
  119    HB2  ASP  18           HB2      ASP  18  -3.858  -5.774  -4.801
  120    HB3  ASP  18           HB1      ASP  18  -4.798  -4.307  -5.030
  121    H    VAL  19           HN       VAL  19  -4.240  -2.955  -1.210
  122    HA   VAL  19           HA       VAL  19  -6.932  -3.952  -0.823
  123    HB   VAL  19           HB       VAL  19  -6.786  -2.156   1.108
  124   HG11  VAL  19          HG11      VAL  19  -7.022  -4.560   1.418
  125   HG12  VAL  19          HG12      VAL  19  -5.873  -3.884   2.573
  126   HG13  VAL  19          HG13      VAL  19  -5.287  -4.771   1.166
  127   HG21  VAL  19          HG21      VAL  19  -4.690  -1.152   0.420
  128   HG22  VAL  19          HG22      VAL  19  -3.885  -2.717   0.499
  129   HG23  VAL  19          HG23      VAL  19  -4.485  -1.960   1.975
  130    H    ILE  20           HN       ILE  20  -8.516  -3.072  -1.891
  131    HA   ILE  20           HA       ILE  20  -8.274  -0.466  -3.100
  132    HB   ILE  20           HB       ILE  20 -10.552  -0.929  -3.979
  133   HG12  ILE  20          HG12      ILE  20 -10.293  -3.707  -2.865
  134   HG13  ILE  20          HG11      ILE  20 -11.073  -2.436  -1.927
  135   HG21  ILE  20          HG21      ILE  20  -8.563  -1.575  -5.233
  136   HG22  ILE  20          HG22      ILE  20  -9.871  -2.733  -5.482
  137   HG23  ILE  20          HG23      ILE  20  -8.537  -3.128  -4.400
  138   HD11  ILE  20          HD11      ILE  20 -12.699  -2.107  -3.681
  139   HD12  ILE  20          HD12      ILE  20 -12.678  -3.792  -3.160
  140   HD13  ILE  20          HD13      ILE  20 -11.902  -3.328  -4.676
  141    H    TRP  21           HN       TRP  21 -11.189  -0.028  -2.867
  142    HA   TRP  21           HA       TRP  21 -12.631   1.247  -1.710
  143    HB2  TRP  21           HB2      TRP  21 -11.310   0.002   0.709
  144    HB3  TRP  21           HB1      TRP  21 -12.814   0.913   0.725
  145    HD1  TRP  21           HD1      TRP  21 -11.564  -2.517   0.493
  146    HE1  TRP  21           HE1      TRP  21 -13.451  -4.133  -0.210
  147    HE3  TRP  21           HE3      TRP  21 -14.991   0.914  -1.097
  148    HZ2  TRP  21           HZ2      TRP  21 -16.049  -3.954  -1.321
  149    HZ3  TRP  21           HZ3      TRP  21 -17.151   0.116  -1.971
  150    HH2  TRP  21           HH2      TRP  21 -17.667  -2.270  -2.081
  151    H    ASP  22           HN       ASP  22 -10.465   2.512  -2.665
  152    HA   ASP  22           HA       ASP  22  -9.225   4.198  -0.706
  153    HB2  ASP  22           HB2      ASP  22  -8.314   3.731  -3.026
  154    HB3  ASP  22           HB1      ASP  22  -9.579   4.776  -3.661
  155    H    GLU  23           HN       GLU  23 -10.451   5.521   0.490
  156    HA   GLU  23           HA       GLU  23 -12.625   6.978  -0.852
  157    HB2  GLU  23           HB2      GLU  23 -13.482   5.028   0.427
  158    HB3  GLU  23           HB1      GLU  23 -12.763   5.701   1.882
  159    HG2  GLU  23           HG2      GLU  23 -14.226   7.657   1.690
  160    HG3  GLU  23           HG1      GLU  23 -14.958   6.955   0.246
  161    HA   PRO  24           HA       PRO  24 -10.504  10.297   1.350
  162    HB2  PRO  24           HB2      PRO  24 -11.916  12.124  -0.369
  163    HB3  PRO  24           HB1      PRO  24 -10.204  11.698  -0.404
  164    HG2  PRO  24           HG2      PRO  24 -12.004  11.040  -2.375
  165    HG3  PRO  24           HG1      PRO  24 -10.504  10.153  -2.057
  166    HD2  PRO  24           HD2      PRO  24 -13.306   9.502  -1.223
  167    HD3  PRO  24           HD1      PRO  24 -12.020   8.420  -1.805
  Start of MODEL    6
    1    H1   CYS   1           HT1      CYS   1  -2.055  -2.966  -6.605
    2    H2   CYS   1           HT2      CYS   1  -0.692  -2.310  -7.386
    3    H3   CYS   1           HT3      CYS   1  -2.167  -1.475  -7.410
    4    HA   CYS   1           HA       CYS   1  -2.073  -1.204  -5.019
    5    HB2  CYS   1           HB2      CYS   1   0.387  -1.592  -4.144
    6    HB3  CYS   1           HB1      CYS   1  -0.816  -2.874  -4.113
    7    H    SER   2           HN       SER   2  -2.031   0.874  -4.957
    8    HA   SER   2           HA       SER   2  -0.235   2.317  -6.730
    9    HB2  SER   2           HB2      SER   2  -1.761   4.260  -6.092
   10    HB3  SER   2           HB1      SER   2  -2.505   2.938  -6.994
   11    HG   SER   2           HG       SER   2  -2.768   3.621  -4.283
   12    H    CYS   3           HN       CYS   3   1.629   1.889  -5.319
   13    HA   CYS   3           HA       CYS   3   1.747   3.962  -3.242
   14    HB2  CYS   3           HB2      CYS   3   3.771   2.665  -2.379
   15    HB3  CYS   3           HB1      CYS   3   2.188   1.957  -2.096
   16    H    ASN   4           HN       ASN   4   3.222   5.524  -3.423
   17    HA   ASN   4           HA       ASN   4   5.352   5.446  -5.355
   18    HB2  ASN   4           HB2      ASN   4   3.551   5.854  -6.903
   19    HB3  ASN   4           HB1      ASN   4   2.859   7.085  -5.856
   20   HD21  ASN   4          HD21      ASN   4   3.665   9.150  -5.901
   21   HD22  ASN   4          HD22      ASN   4   4.831   9.686  -7.065
   22    H    ASP   5           HN       ASP   5   3.221   7.570  -3.463
   23    HA   ASP   5           HA       ASP   5   5.484   9.310  -2.855
   24    HB2  ASP   5           HB2      ASP   5   2.531   9.548  -2.282
   25    HB3  ASP   5           HB1      ASP   5   3.727  10.717  -1.734
   26    H    ILE   6           HN       ILE   6   4.644   6.483  -1.636
   27    HA   ILE   6           HA       ILE   6   4.829   7.367   1.164
   28    HB   ILE   6           HB       ILE   6   3.770   5.306   1.867
   29   HG12  ILE   6          HG12      ILE   6   3.408   4.661  -1.066
   30   HG13  ILE   6          HG11      ILE   6   4.586   3.883  -0.013
   31   HG21  ILE   6          HG21      ILE   6   1.513   5.717   0.965
   32   HG22  ILE   6          HG22      ILE   6   2.221   6.745  -0.282
   33   HG23  ILE   6          HG23      ILE   6   2.347   7.208   1.415
   34   HD11  ILE   6          HD11      ILE   6   1.591   3.786   0.240
   35   HD12  ILE   6          HD12      ILE   6   2.717   3.113   1.417
   36   HD13  ILE   6          HD13      ILE   6   2.666   2.468  -0.223
   37    H    ASN   7           HN       ASN   7   5.455   4.934   2.314
   38    HA   ASN   7           HA       ASN   7   8.309   4.953   1.736
   39    HB2  ASN   7           HB2      ASN   7   8.561   4.012   3.965
   40    HB3  ASN   7           HB1      ASN   7   7.527   5.435   4.028
   41   HD21  ASN   7          HD21      ASN   7   5.241   5.099   4.235
   42   HD22  ASN   7          HD22      ASN   7   4.641   3.675   5.004
   43    H    ASP   8           HN       ASP   8   9.489   2.879   2.096
   44    HA   ASP   8           HA       ASP   8   8.663   0.990   0.179
   45    HB2  ASP   8           HB2      ASP   8  10.962   1.352   1.972
   46    HB3  ASP   8           HB1      ASP   8  10.596  -0.330   1.605
   47    H    LYS   9           HN       LYS   9   8.780   0.826   3.720
   48    HA   LYS   9           HA       LYS   9   8.054  -1.820   4.082
   49    HB2  LYS   9           HB2      LYS   9   8.801  -0.299   5.888
   50    HB3  LYS   9           HB1      LYS   9   7.271   0.556   5.792
   51    HG2  LYS   9           HG2      LYS   9   7.367  -2.375   6.418
   52    HG3  LYS   9           HG1      LYS   9   7.626  -1.167   7.673
   53    HD2  LYS   9           HD2      LYS   9   5.169  -1.426   5.930
   54    HD3  LYS   9           HD1      LYS   9   5.291  -1.900   7.625
   55    HE2  LYS   9           HE2      LYS   9   5.719   0.423   8.247
   56    HE3  LYS   9           HE1      LYS   9   5.629   0.901   6.554
   57    HZ1  LYS   9           HZ1      LYS   9   3.560   1.381   7.628
   58    HZ2  LYS   9           HZ2      LYS   9   3.412  -0.206   8.200
   59    HZ3  LYS   9           HZ3      LYS   9   3.301   0.110   6.538
   60    H    GLU  10           HN       GLU  10   5.942   1.015   3.801
   61    HA   GLU  10           HA       GLU  10   3.536  -0.472   4.100
   62    HB2  GLU  10           HB2      GLU  10   3.922   2.054   4.436
   63    HB3  GLU  10           HB1      GLU  10   3.747   2.177   2.690
   64    HG2  GLU  10           HG2      GLU  10   1.632   2.646   3.524
   65    HG3  GLU  10           HG1      GLU  10   1.530   0.963   2.996
   66    H    CYS  11           HN       CYS  11   5.213   0.923   1.316
   67    HA   CYS  11           HA       CYS  11   3.359   0.303  -0.652
   68    HB2  CYS  11           HB2      CYS  11   5.202   1.830  -1.026
   69    HB3  CYS  11           HB1      CYS  11   6.368   0.533  -0.790
   70    H    MET  12           HN       MET  12   6.218  -1.616   0.354
   71    HA   MET  12           HA       MET  12   5.641  -3.746  -1.426
   72    HB2  MET  12           HB2      MET  12   7.392  -4.945  -0.363
   73    HB3  MET  12           HB1      MET  12   7.882  -3.259  -0.357
   74    HG2  MET  12           HG2      MET  12   8.449  -3.892   1.766
   75    HG3  MET  12           HG1      MET  12   6.824  -3.261   2.033
   76    HE1  MET  12           HE1      MET  12   5.984  -4.412   4.084
   77    HE2  MET  12           HE2      MET  12   7.673  -4.832   4.372
   78    HE3  MET  12           HE3      MET  12   6.414  -6.056   4.553
   79    H    TYR  13           HN       TYR  13   4.655  -2.992   1.838
   80    HA   TYR  13           HA       TYR  13   3.810  -5.515   2.699
   81    HB2  TYR  13           HB2      TYR  13   4.022  -3.817   4.338
   82    HB3  TYR  13           HB1      TYR  13   2.971  -2.719   3.450
   83    HD1  TYR  13           HD2      TYR  13   2.889  -6.041   5.151
   84    HD2  TYR  13           HD1      TYR  13   0.764  -2.509   4.097
   85    HE1  TYR  13           HE2      TYR  13   0.952  -6.829   6.447
   86    HE2  TYR  13           HE1      TYR  13  -1.181  -3.289   5.383
   87    HH   TYR  13           HH       TYR  13  -1.028  -5.907   7.558
   88    H    PHE  14           HN       PHE  14   1.900  -2.895   1.201
   89    HA   PHE  14           HA       PHE  14  -0.324  -4.783   1.080
   90    HB2  PHE  14           HB2      PHE  14  -1.789  -2.991   1.026
   91    HB3  PHE  14           HB1      PHE  14  -0.491  -2.382   2.045
   92    HD1  PHE  14           HD1      PHE  14   1.296  -0.914   0.911
   93    HD2  PHE  14           HD2      PHE  14  -2.466  -1.858  -0.825
   94    HE1  PHE  14           HE1      PHE  14   1.508   1.018  -0.585
   95    HE2  PHE  14           HE2      PHE  14  -2.264   0.061  -2.337
   96    HZ   PHE  14           HZ       PHE  14  -0.272   1.515  -2.222
   97    H    CYS  15           HN       CYS  15   2.153  -3.874  -0.911
   98    HA   CYS  15           HA       CYS  15   0.692  -3.638  -3.346
   99    HB2  CYS  15           HB2      CYS  15   3.275  -3.141  -2.682
  100    HB3  CYS  15           HB1      CYS  15   3.445  -4.671  -3.538
  101    H    HIS  16           HN       HIS  16   2.322  -6.353  -1.712
  102    HA   HIS  16           HA       HIS  16   1.350  -8.219  -3.711
  103    HB2  HIS  16           HB2      HIS  16   2.473  -9.907  -2.541
  104    HB3  HIS  16           HB1      HIS  16   3.540  -8.518  -2.475
  105    HD1  HIS  16           HD1      HIS  16   2.176 -11.122  -0.439
  106    HD2  HIS  16           HD2      HIS  16   3.242  -7.153   0.219
  107    HE1  HIS  16           HE1      HIS  16   2.477 -10.901   2.047
  108    HE2  HIS  16           HE2      HIS  16   2.981  -8.468   2.438
  109    H    GLN  17           HN       GLN  17  -0.516  -6.656  -2.438
  110    HA   GLN  17           HA       GLN  17  -2.215  -8.581  -1.048
  111    HB2  GLN  17           HB2      GLN  17  -1.110  -7.353   0.722
  112    HB3  GLN  17           HB1      GLN  17  -1.452  -5.821  -0.067
  113    HG2  GLN  17           HG2      GLN  17  -2.973  -5.902   1.651
  114    HG3  GLN  17           HG1      GLN  17  -3.908  -6.421   0.253
  115   HE21  GLN  17          HE21      GLN  17  -2.617  -9.091   0.270
  116   HE22  GLN  17          HE22      GLN  17  -3.354  -9.953   1.576
  117    H    ASP  18           HN       ASP  18  -2.033  -5.205  -2.081
  118    HA   ASP  18           HA       ASP  18  -3.344  -3.853  -3.305
  119    HB2  ASP  18           HB2      ASP  18  -2.931  -5.752  -4.970
  120    HB3  ASP  18           HB1      ASP  18  -4.563  -6.287  -4.581
  121    H    VAL  19           HN       VAL  19  -4.447  -3.238  -1.411
  122    HA   VAL  19           HA       VAL  19  -6.979  -4.509  -0.812
  123    HB   VAL  19           HB       VAL  19  -7.057  -2.786   1.023
  124   HG11  VAL  19          HG11      VAL  19  -5.391  -3.919   2.408
  125   HG12  VAL  19          HG12      VAL  19  -4.675  -4.626   0.960
  126   HG13  VAL  19          HG13      VAL  19  -6.317  -5.062   1.438
  127   HG21  VAL  19          HG21      VAL  19  -4.250  -2.242   0.080
  128   HG22  VAL  19          HG22      VAL  19  -4.945  -1.658   1.591
  129   HG23  VAL  19          HG23      VAL  19  -5.605  -1.112   0.048
  130    H    ILE  20           HN       ILE  20  -8.569  -2.662  -0.007
  131    HA   ILE  20           HA       ILE  20  -8.887  -0.671  -2.139
  132    HB   ILE  20           HB       ILE  20 -11.370  -1.051  -1.992
  133   HG12  ILE  20          HG12      ILE  20 -10.702  -3.744  -0.830
  134   HG13  ILE  20          HG11      ILE  20 -11.081  -2.374   0.210
  135   HG21  ILE  20          HG21      ILE  20  -9.703  -3.347  -3.007
  136   HG22  ILE  20          HG22      ILE  20 -10.079  -1.863  -3.881
  137   HG23  ILE  20          HG23      ILE  20 -11.366  -2.998  -3.479
  138   HD11  ILE  20          HD11      ILE  20 -13.257  -2.173  -0.754
  139   HD12  ILE  20          HD12      ILE  20 -13.006  -3.845  -0.244
  140   HD13  ILE  20          HD13      ILE  20 -12.890  -3.418  -1.953
  141    H    TRP  21           HN       TRP  21 -11.447   0.124  -1.006
  142    HA   TRP  21           HA       TRP  21 -12.358   1.573   0.455
  143    HB2  TRP  21           HB2      TRP  21 -10.236   0.792   2.456
  144    HB3  TRP  21           HB1      TRP  21 -11.803   1.518   2.773
  145    HD1  TRP  21           HD1      TRP  21 -10.105  -1.758   2.498
  146    HE1  TRP  21           HE1      TRP  21 -11.799  -3.673   2.788
  147    HE3  TRP  21           HE3      TRP  21 -14.414   0.945   2.094
  148    HZ2  TRP  21           HZ2      TRP  21 -14.609  -3.985   2.821
  149    HZ3  TRP  21           HZ3      TRP  21 -16.566  -0.236   2.263
  150    HH2  TRP  21           HH2      TRP  21 -16.659  -2.651   2.619
  151    H    ASP  22           HN       ASP  22 -12.191   3.623   0.059
  152    HA   ASP  22           HA       ASP  22 -11.390   5.698  -0.352
  153    HB2  ASP  22           HB2      ASP  22 -10.278   5.579   1.858
  154    HB3  ASP  22           HB1      ASP  22  -8.877   4.831   1.100
  155    H    GLU  23           HN       GLU  23 -11.389   5.469  -2.504
  156    HA   GLU  23           HA       GLU  23  -9.524   3.957  -3.979
  157    HB2  GLU  23           HB2      GLU  23 -11.413   6.145  -4.854
  158    HB3  GLU  23           HB1      GLU  23 -10.536   5.082  -5.947
  159    HG2  GLU  23           HG2      GLU  23 -11.700   3.161  -5.116
  160    HG3  GLU  23           HG1      GLU  23 -12.473   4.122  -3.859
  161    HA   PRO  24           HA       PRO  24  -6.051   6.654  -4.090
  162    HB2  PRO  24           HB2      PRO  24  -5.401   5.428  -6.689
  163    HB3  PRO  24           HB1      PRO  24  -4.496   5.390  -5.174
  164    HG2  PRO  24           HG2      PRO  24  -5.765   3.221  -6.120
  165    HG3  PRO  24           HG1      PRO  24  -5.638   3.551  -4.382
  166    HD2  PRO  24           HD2      PRO  24  -7.950   3.975  -6.235
  167    HD3  PRO  24           HD1      PRO  24  -7.936   3.366  -4.568
  Start of MODEL    7
    1    H1   CYS   1           HT1      CYS   1  -1.990  -1.832  -7.847
    2    H2   CYS   1           HT2      CYS   1  -0.881  -3.083  -7.553
    3    H3   CYS   1           HT3      CYS   1  -0.396  -1.701  -8.407
    4    HA   CYS   1           HA       CYS   1  -1.280  -1.709  -5.582
    5    HB2  CYS   1           HB2      CYS   1   1.517  -1.406  -6.713
    6    HB3  CYS   1           HB1      CYS   1   1.067  -1.373  -5.011
    7    H    SER   2           HN       SER   2  -0.428   0.395  -4.542
    8    HA   SER   2           HA       SER   2  -0.119   2.595  -6.424
    9    HB2  SER   2           HB2      SER   2  -2.255   2.606  -4.279
   10    HB3  SER   2           HB1      SER   2  -1.839   3.961  -5.329
   11    HG   SER   2           HG       SER   2  -2.292   1.865  -6.880
   12    H    CYS   3           HN       CYS   3   2.032   2.413  -5.546
   13    HA   CYS   3           HA       CYS   3   2.278   3.967  -3.095
   14    HB2  CYS   3           HB2      CYS   3   4.148   2.437  -2.362
   15    HB3  CYS   3           HB1      CYS   3   2.521   1.784  -2.244
   16    H    ASN   4           HN       ASN   4   3.582   5.586  -3.359
   17    HA   ASN   4           HA       ASN   4   5.988   5.482  -4.943
   18    HB2  ASN   4           HB2      ASN   4   4.414   5.855  -6.738
   19    HB3  ASN   4           HB1      ASN   4   3.583   7.101  -5.818
   20   HD21  ASN   4          HD21      ASN   4   3.837   8.726  -7.250
   21   HD22  ASN   4          HD22      ASN   4   5.361   9.427  -7.656
   22    H    ASP   5           HN       ASP   5   3.562   7.714  -3.619
   23    HA   ASP   5           HA       ASP   5   5.492   9.584  -2.646
   24    HB2  ASP   5           HB2      ASP   5   3.212  10.259  -3.253
   25    HB3  ASP   5           HB1      ASP   5   2.560   9.241  -1.975
   26    H    ILE   6           HN       ILE   6   3.882   6.786  -1.354
   27    HA   ILE   6           HA       ILE   6   4.576   7.385   1.385
   28    HB   ILE   6           HB       ILE   6   3.625   5.131   1.877
   29   HG12  ILE   6          HG12      ILE   6   2.960   5.141  -1.072
   30   HG13  ILE   6          HG11      ILE   6   4.126   4.076  -0.295
   31   HG21  ILE   6          HG21      ILE   6   1.306   5.762   1.407
   32   HG22  ILE   6          HG22      ILE   6   1.880   7.011   0.301
   33   HG23  ILE   6          HG23      ILE   6   2.253   7.114   2.023
   34   HD11  ILE   6          HD11      ILE   6   1.166   4.143   0.258
   35   HD12  ILE   6          HD12      ILE   6   2.339   3.060   1.006
   36   HD13  ILE   6          HD13      ILE   6   2.012   2.945  -0.721
   37    H    ASN   7           HN       ASN   7   5.533   5.553   2.685
   38    HA   ASN   7           HA       ASN   7   8.221   5.235   1.798
   39    HB2  ASN   7           HB2      ASN   7   8.402   3.948   4.025
   40    HB3  ASN   7           HB1      ASN   7   8.000   5.662   4.087
   41   HD21  ASN   7          HD21      ASN   7   6.819   2.431   4.532
   42   HD22  ASN   7          HD22      ASN   7   5.365   2.862   5.369
   43    H    ASP   8           HN       ASP   8   9.393   3.157   2.083
   44    HA   ASP   8           HA       ASP   8   8.561   1.452   0.020
   45    HB2  ASP   8           HB2      ASP   8  10.568   0.210   0.438
   46    HB3  ASP   8           HB1      ASP   8  10.933   1.904   0.734
   47    H    LYS   9           HN       LYS   9   8.664   0.884   3.522
   48    HA   LYS   9           HA       LYS   9   7.950  -1.799   3.480
   49    HB2  LYS   9           HB2      LYS   9   7.770   0.354   5.536
   50    HB3  LYS   9           HB1      LYS   9   7.063  -1.226   5.865
   51    HG2  LYS   9           HG2      LYS   9   9.150  -2.307   5.672
   52    HG3  LYS   9           HG1      LYS   9   9.898  -0.885   4.946
   53    HD2  LYS   9           HD2      LYS   9   8.769  -0.838   7.727
   54    HD3  LYS   9           HD1      LYS   9  10.421  -1.372   7.398
   55    HE2  LYS   9           HE2      LYS   9   9.252   1.309   6.651
   56    HE3  LYS   9           HE1      LYS   9  10.329   1.009   8.015
   57    HZ1  LYS   9           HZ1      LYS   9  11.961   0.153   6.316
   58    HZ2  LYS   9           HZ2      LYS   9  11.677   1.821   6.292
   59    HZ3  LYS   9           HZ3      LYS   9  10.960   0.826   5.118
   60    H    GLU  10           HN       GLU  10   5.856   1.047   3.537
   61    HA   GLU  10           HA       GLU  10   3.467  -0.466   3.898
   62    HB2  GLU  10           HB2      GLU  10   3.679   1.959   4.452
   63    HB3  GLU  10           HB1      GLU  10   3.793   2.306   2.731
   64    HG2  GLU  10           HG2      GLU  10   1.560   1.608   2.347
   65    HG3  GLU  10           HG1      GLU  10   1.436   0.907   3.963
   66    H    CYS  11           HN       CYS  11   5.187   0.900   1.154
   67    HA   CYS  11           HA       CYS  11   3.420   0.312  -0.896
   68    HB2  CYS  11           HB2      CYS  11   5.377   1.677  -1.282
   69    HB3  CYS  11           HB1      CYS  11   6.446   0.347  -0.866
   70    H    MET  12           HN       MET  12   6.186  -1.690   0.168
   71    HA   MET  12           HA       MET  12   5.549  -3.828  -1.560
   72    HB2  MET  12           HB2      MET  12   7.279  -5.057  -0.459
   73    HB3  MET  12           HB1      MET  12   7.808  -3.384  -0.542
   74    HG2  MET  12           HG2      MET  12   8.399  -3.923   1.598
   75    HG3  MET  12           HG1      MET  12   6.789  -3.258   1.867
   76    HE1  MET  12           HE1      MET  12   6.316  -5.937   4.488
   77    HE2  MET  12           HE2      MET  12   5.812  -4.347   3.918
   78    HE3  MET  12           HE3      MET  12   7.515  -4.663   4.262
   79    H    TYR  13           HN       TYR  13   4.599  -3.065   1.730
   80    HA   TYR  13           HA       TYR  13   3.730  -5.595   2.544
   81    HB2  TYR  13           HB2      TYR  13   3.996  -3.932   4.223
   82    HB3  TYR  13           HB1      TYR  13   2.906  -2.824   3.398
   83    HD1  TYR  13           HD2      TYR  13   2.932  -6.172   5.045
   84    HD2  TYR  13           HD1      TYR  13   0.693  -2.687   4.081
   85    HE1  TYR  13           HE2      TYR  13   1.058  -7.008   6.396
   86    HE2  TYR  13           HE1      TYR  13  -1.190  -3.513   5.429
   87    HH   TYR  13           HH       TYR  13  -0.892  -6.170   7.567
   88    H    PHE  14           HN       PHE  14   1.864  -2.924   1.085
   89    HA   PHE  14           HA       PHE  14  -0.403  -4.756   0.983
   90    HB2  PHE  14           HB2      PHE  14  -1.817  -2.949   0.947
   91    HB3  PHE  14           HB1      PHE  14  -0.459  -2.271   1.839
   92    HD1  PHE  14           HD1      PHE  14   1.240  -0.947   0.548
   93    HD2  PHE  14           HD2      PHE  14  -2.595  -1.924  -0.989
   94    HE1  PHE  14           HE1      PHE  14   1.446   0.875  -1.069
   95    HE2  PHE  14           HE2      PHE  14  -2.407  -0.100  -2.624
   96    HZ   PHE  14           HZ       PHE  14  -0.498   1.282  -2.711
   97    H    CYS  15           HN       CYS  15   2.123  -3.963  -0.991
   98    HA   CYS  15           HA       CYS  15   0.756  -3.749  -3.475
   99    HB2  CYS  15           HB2      CYS  15   3.206  -3.154  -2.970
  100    HB3  CYS  15           HB1      CYS  15   3.535  -4.870  -3.180
  101    H    HIS  16           HN       HIS  16   2.135  -6.520  -1.705
  102    HA   HIS  16           HA       HIS  16   1.152  -8.375  -3.721
  103    HB2  HIS  16           HB2      HIS  16   2.147 -10.114  -2.418
  104    HB3  HIS  16           HB1      HIS  16   3.308  -8.806  -2.528
  105    HD1  HIS  16           HD1      HIS  16   1.982 -11.143  -0.217
  106    HD2  HIS  16           HD2      HIS  16   3.125  -7.149   0.049
  107    HE1  HIS  16           HE1      HIS  16   2.402 -10.713   2.223
  108    HE2  HIS  16           HE2      HIS  16   3.335  -8.374   2.318
  109    H    GLN  17           HN       GLN  17  -0.244  -6.642  -1.508
  110    HA   GLN  17           HA       GLN  17  -2.151  -8.634  -0.523
  111    HB2  GLN  17           HB2      GLN  17  -1.197  -7.253   1.202
  112    HB3  GLN  17           HB1      GLN  17  -1.520  -5.789   0.287
  113    HG2  GLN  17           HG2      GLN  17  -3.066  -5.948   2.087
  114    HG3  GLN  17           HG1      GLN  17  -3.928  -6.186   0.567
  115   HE21  GLN  17          HE21      GLN  17  -2.784  -7.694   3.481
  116   HE22  GLN  17          HE22      GLN  17  -3.721  -9.143   3.354
  117    H    ASP  18           HN       ASP  18  -2.067  -5.367  -1.864
  118    HA   ASP  18           HA       ASP  18  -3.422  -4.142  -3.159
  119    HB2  ASP  18           HB2      ASP  18  -3.040  -6.270  -4.629
  120    HB3  ASP  18           HB1      ASP  18  -4.737  -6.588  -4.277
  121    H    VAL  19           HN       VAL  19  -4.599  -3.250  -1.525
  122    HA   VAL  19           HA       VAL  19  -7.043  -4.517  -0.665
  123    HB   VAL  19           HB       VAL  19  -7.284  -2.417   0.721
  124   HG11  VAL  19          HG11      VAL  19  -6.422  -4.467   1.674
  125   HG12  VAL  19          HG12      VAL  19  -5.548  -3.085   2.334
  126   HG13  VAL  19          HG13      VAL  19  -4.803  -4.087   1.088
  127   HG21  VAL  19          HG21      VAL  19  -5.310  -1.018   1.024
  128   HG22  VAL  19          HG22      VAL  19  -5.880  -0.951  -0.643
  129   HG23  VAL  19          HG23      VAL  19  -4.466  -1.923  -0.232
  130    H    ILE  20           HN       ILE  20  -8.963  -4.072  -1.436
  131    HA   ILE  20           HA       ILE  20  -9.197  -2.221  -3.644
  132    HB   ILE  20           HB       ILE  20 -11.601  -3.101  -3.689
  133   HG12  ILE  20          HG12      ILE  20 -11.619  -5.524  -2.739
  134   HG13  ILE  20          HG11      ILE  20 -10.366  -4.935  -1.657
  135   HG21  ILE  20          HG21      ILE  20  -9.284  -4.955  -4.202
  136   HG22  ILE  20          HG22      ILE  20  -9.886  -3.708  -5.294
  137   HG23  ILE  20          HG23      ILE  20 -10.892  -5.104  -4.907
  138   HD11  ILE  20          HD11      ILE  20 -11.889  -3.241  -0.806
  139   HD12  ILE  20          HD12      ILE  20 -12.559  -4.862  -0.618
  140   HD13  ILE  20          HD13      ILE  20 -13.143  -3.807  -1.907
  141    H    TRP  21           HN       TRP  21  -9.305  -1.816  -0.477
  142    HA   TRP  21           HA       TRP  21 -10.987   0.537  -0.704
  143    HB2  TRP  21           HB2      TRP  21 -11.866  -0.004   1.659
  144    HB3  TRP  21           HB1      TRP  21 -12.618  -0.768   0.269
  145    HD1  TRP  21           HD1      TRP  21  -9.357  -2.380   1.306
  146    HE1  TRP  21           HE1      TRP  21  -9.870  -4.621   2.485
  147    HE3  TRP  21           HE3      TRP  21 -14.378  -1.833   1.812
  148    HZ2  TRP  21           HZ2      TRP  21 -12.150  -5.965   3.502
  149    HZ3  TRP  21           HZ3      TRP  21 -15.676  -3.633   2.899
  150    HH2  TRP  21           HH2      TRP  21 -14.579  -5.653   3.722
  151    H    ASP  22           HN       ASP  22 -10.814   1.683   1.643
  152    HA   ASP  22           HA       ASP  22  -7.908   1.805   2.150
  153    HB2  ASP  22           HB2      ASP  22  -9.838   4.133   1.977
  154    HB3  ASP  22           HB1      ASP  22  -8.139   4.251   2.414
  155    H    GLU  23           HN       GLU  23  -7.651   3.413   4.166
  156    HA   GLU  23           HA       GLU  23  -9.450   2.424   6.262
  157    HB2  GLU  23           HB2      GLU  23  -6.935   2.064   6.466
  158    HB3  GLU  23           HB1      GLU  23  -6.790   3.805   6.651
  159    HG2  GLU  23           HG2      GLU  23  -8.184   3.722   8.646
  160    HG3  GLU  23           HG1      GLU  23  -8.354   1.976   8.458
  161    HA   PRO  24           HA       PRO  24 -11.074   6.562   5.440
  162    HB2  PRO  24           HB2      PRO  24 -13.229   5.690   7.244
  163    HB3  PRO  24           HB1      PRO  24 -13.316   6.211   5.560
  164    HG2  PRO  24           HG2      PRO  24 -13.681   3.648   6.270
  165    HG3  PRO  24           HG1      PRO  24 -12.889   4.095   4.747
  166    HD2  PRO  24           HD2      PRO  24 -11.665   3.181   7.324
  167    HD3  PRO  24           HD1      PRO  24 -11.240   2.739   5.656
  Start of MODEL    8
    1    H1   CYS   1           HT1      CYS   1   0.776  -3.239  -7.754
    2    H2   CYS   1           HT2      CYS   1   1.333  -1.753  -8.356
    3    H3   CYS   1           HT3      CYS   1  -0.327  -2.004  -8.125
    4    HA   CYS   1           HA       CYS   1   0.024  -2.216  -5.745
    5    HB2  CYS   1           HB2      CYS   1   2.830  -1.284  -6.357
    6    HB3  CYS   1           HB1      CYS   1   2.166  -1.664  -4.774
    7    H    SER   2           HN       SER   2  -0.727  -0.466  -4.722
    8    HA   SER   2           HA       SER   2  -0.945   1.947  -6.347
    9    HB2  SER   2           HB2      SER   2  -2.432   1.247  -3.804
   10    HB3  SER   2           HB1      SER   2  -2.872   2.468  -5.000
   11    HG   SER   2           HG       SER   2  -2.939  -0.359  -5.237
   12    H    CYS   3           HN       CYS   3   1.564   1.511  -4.988
   13    HA   CYS   3           HA       CYS   3   1.438   3.392  -2.751
   14    HB2  CYS   3           HB2      CYS   3   3.709   2.671  -2.212
   15    HB3  CYS   3           HB1      CYS   3   2.615   1.295  -2.298
   16    H    ASN   4           HN       ASN   4   1.289   5.341  -3.709
   17    HA   ASN   4           HA       ASN   4   3.010   6.091  -5.894
   18    HB2  ASN   4           HB2      ASN   4   0.984   7.615  -4.255
   19    HB3  ASN   4           HB1      ASN   4   1.969   8.386  -5.492
   20   HD21  ASN   4          HD21      ASN   4   0.182   8.930  -6.704
   21   HD22  ASN   4          HD22      ASN   4  -0.723   7.762  -7.611
   22    H    ASP   5           HN       ASP   5   2.489   7.560  -2.701
   23    HA   ASP   5           HA       ASP   5   5.268   8.498  -2.775
   24    HB2  ASP   5           HB2      ASP   5   2.949   9.408  -1.058
   25    HB3  ASP   5           HB1      ASP   5   4.568  10.099  -1.030
   26    H    ILE   6           HN       ILE   6   3.047   6.477  -1.034
   27    HA   ILE   6           HA       ILE   6   4.755   6.081   1.235
   28    HB   ILE   6           HB       ILE   6   3.232   4.098   1.678
   29   HG12  ILE   6          HG12      ILE   6   1.706   5.290  -0.649
   30   HG13  ILE   6          HG11      ILE   6   2.541   3.742  -0.674
   31   HG21  ILE   6          HG21      ILE   6   2.907   6.275   2.731
   32   HG22  ILE   6          HG22      ILE   6   1.359   5.510   2.371
   33   HG23  ILE   6          HG23      ILE   6   1.959   6.811   1.344
   34   HD11  ILE   6          HD11      ILE   6   0.211   4.444   1.096
   35   HD12  ILE   6          HD12      ILE   6   1.026   2.879   1.017
   36   HD13  ILE   6          HD13      ILE   6   0.137   3.487  -0.380
   37    H    ASN   7           HN       ASN   7   6.706   5.677  -0.089
   38    HA   ASN   7           HA       ASN   7   6.811   2.921  -1.104
   39    HB2  ASN   7           HB2      ASN   7   8.325   5.400  -1.863
   40    HB3  ASN   7           HB1      ASN   7   8.968   3.806  -2.236
   41   HD21  ASN   7          HD21      ASN   7   5.541   4.386  -2.194
   42   HD22  ASN   7          HD22      ASN   7   5.303   4.314  -3.912
   43    H    ASP   8           HN       ASP   8   7.229   1.849   0.732
   44    HA   ASP   8           HA       ASP   8   9.855   1.582   1.646
   45    HB2  ASP   8           HB2      ASP   8   9.013   3.841   2.731
   46    HB3  ASP   8           HB1      ASP   8   8.127   2.771   3.812
   47    H    LYS   9           HN       LYS   9   8.706   0.976   4.431
   48    HA   LYS   9           HA       LYS   9   8.080  -1.714   4.084
   49    HB2  LYS   9           HB2      LYS   9   7.223   0.055   6.379
   50    HB3  LYS   9           HB1      LYS   9   7.342  -1.700   6.402
   51    HG2  LYS   9           HG2      LYS   9   9.634   0.211   6.019
   52    HG3  LYS   9           HG1      LYS   9   9.240  -0.651   7.507
   53    HD2  LYS   9           HD2      LYS   9   9.849  -2.715   6.621
   54    HD3  LYS   9           HD1      LYS   9   9.709  -2.146   4.954
   55    HE2  LYS   9           HE2      LYS   9  11.790  -1.221   6.928
   56    HE3  LYS   9           HE1      LYS   9  12.056  -2.444   5.687
   57    HZ1  LYS   9           HZ1      LYS   9  11.226   0.357   5.134
   58    HZ2  LYS   9           HZ2      LYS   9  11.634  -0.827   3.989
   59    HZ3  LYS   9           HZ3      LYS   9  12.819  -0.212   5.036
   60    H    GLU  10           HN       GLU  10   6.049   1.092   3.900
   61    HA   GLU  10           HA       GLU  10   3.547  -0.188   4.207
   62    HB2  GLU  10           HB2      GLU  10   3.869   2.262   4.336
   63    HB3  GLU  10           HB1      GLU  10   4.228   2.290   2.612
   64    HG2  GLU  10           HG2      GLU  10   2.020   2.886   2.623
   65    HG3  GLU  10           HG1      GLU  10   1.920   1.140   2.385
   66    H    CYS  11           HN       CYS  11   5.273   0.865   1.254
   67    HA   CYS  11           HA       CYS  11   3.365  -0.117  -0.525
   68    HB2  CYS  11           HB2      CYS  11   5.036   1.448  -1.306
   69    HB3  CYS  11           HB1      CYS  11   6.325   0.285  -0.991
   70    H    MET  12           HN       MET  12   6.405  -1.684   0.570
   71    HA   MET  12           HA       MET  12   6.079  -4.043  -0.891
   72    HB2  MET  12           HB2      MET  12   7.526  -5.115   0.836
   73    HB3  MET  12           HB1      MET  12   8.175  -3.607   0.203
   74    HG2  MET  12           HG2      MET  12   8.134  -2.620   2.194
   75    HG3  MET  12           HG1      MET  12   6.521  -3.235   2.557
   76    HE1  MET  12           HE1      MET  12   5.986  -5.353   3.867
   77    HE2  MET  12           HE2      MET  12   7.144  -6.645   4.197
   78    HE3  MET  12           HE3      MET  12   6.667  -6.288   2.537
   79    H    TYR  13           HN       TYR  13   4.722  -3.070   2.202
   80    HA   TYR  13           HA       TYR  13   3.728  -5.503   3.094
   81    HB2  TYR  13           HB2      TYR  13   3.647  -3.757   4.639
   82    HB3  TYR  13           HB1      TYR  13   2.902  -2.645   3.497
   83    HD1  TYR  13           HD2      TYR  13   2.172  -5.871   5.241
   84    HD2  TYR  13           HD1      TYR  13   0.650  -2.181   3.753
   85    HE1  TYR  13           HE2      TYR  13  -0.033  -6.389   6.209
   86    HE2  TYR  13           HE1      TYR  13  -1.552  -2.692   4.712
   87    HH   TYR  13           HH       TYR  13  -2.852  -4.600   5.451
   88    H    PHE  14           HN       PHE  14   2.068  -3.059   1.074
   89    HA   PHE  14           HA       PHE  14  -0.032  -5.073   0.667
   90    HB2  PHE  14           HB2      PHE  14  -1.604  -3.355   0.370
   91    HB3  PHE  14           HB1      PHE  14  -0.577  -2.780   1.680
   92    HD1  PHE  14           HD1      PHE  14   1.363  -1.210   1.008
   93    HD2  PHE  14           HD2      PHE  14  -2.000  -2.052  -1.453
   94    HE1  PHE  14           HE1      PHE  14   1.796   0.835  -0.280
   95    HE2  PHE  14           HE2      PHE  14  -1.574  -0.009  -2.748
   96    HZ   PHE  14           HZ       PHE  14   0.325   1.438  -2.168
   97    H    CYS  15           HN       CYS  15   2.626  -4.052  -0.915
   98    HA   CYS  15           HA       CYS  15   1.798  -3.510  -3.519
   99    HB2  CYS  15           HB2      CYS  15   4.177  -3.566  -2.445
  100    HB3  CYS  15           HB1      CYS  15   4.189  -5.247  -2.954
  101    H    HIS  16           HN       HIS  16   2.154  -6.567  -1.819
  102    HA   HIS  16           HA       HIS  16   1.211  -8.042  -4.158
  103    HB2  HIS  16           HB2      HIS  16   1.727 -10.034  -2.906
  104    HB3  HIS  16           HB1      HIS  16   3.122  -8.968  -2.919
  105    HD1  HIS  16           HD1      HIS  16   1.297 -11.088  -0.739
  106    HD2  HIS  16           HD2      HIS  16   3.132  -7.378  -0.299
  107    HE1  HIS  16           HE1      HIS  16   1.682 -10.811   1.730
  108    HE2  HIS  16           HE2      HIS  16   2.960  -8.647   1.949
  109    H    GLN  17           HN       GLN  17  -0.523  -6.252  -2.833
  110    HA   GLN  17           HA       GLN  17  -2.653  -8.027  -1.962
  111    HB2  GLN  17           HB2      GLN  17  -1.544  -7.558   0.104
  112    HB3  GLN  17           HB1      GLN  17  -1.430  -5.850  -0.273
  113    HG2  GLN  17           HG2      GLN  17  -3.111  -6.291   1.419
  114    HG3  GLN  17           HG1      GLN  17  -3.820  -5.601  -0.038
  115   HE21  GLN  17          HE21      GLN  17  -5.850  -6.382   0.400
  116   HE22  GLN  17          HE22      GLN  17  -6.262  -8.059   0.318
  117    H    ASP  18           HN       ASP  18  -1.909  -4.550  -1.961
  118    HA   ASP  18           HA       ASP  18  -3.046  -2.715  -2.549
  119    HB2  ASP  18           HB2      ASP  18  -4.072  -4.628  -4.620
  120    HB3  ASP  18           HB1      ASP  18  -4.673  -2.979  -4.527
  121    H    VAL  19           HN       VAL  19  -4.468  -1.759  -1.341
  122    HA   VAL  19           HA       VAL  19  -6.605  -3.306  -0.164
  123    HB   VAL  19           HB       VAL  19  -6.906  -1.191   1.232
  124   HG11  VAL  19          HG11      VAL  19  -5.828  -3.172   2.105
  125   HG12  VAL  19          HG12      VAL  19  -4.978  -1.730   2.664
  126   HG13  VAL  19          HG13      VAL  19  -4.302  -2.701   1.356
  127   HG21  VAL  19          HG21      VAL  19  -5.766   0.384  -0.226
  128   HG22  VAL  19          HG22      VAL  19  -4.259  -0.516  -0.049
  129   HG23  VAL  19          HG23      VAL  19  -4.961   0.312   1.341
  130    H    ILE  20           HN       ILE  20  -8.566  -3.258  -0.907
  131    HA   ILE  20           HA       ILE  20  -9.474  -1.064  -2.591
  132    HB   ILE  20           HB       ILE  20 -11.554  -2.427  -2.846
  133   HG12  ILE  20          HG12      ILE  20 -10.075  -4.716  -1.590
  134   HG13  ILE  20          HG11      ILE  20 -11.046  -3.641  -0.590
  135   HG21  ILE  20          HG21      ILE  20  -9.744  -2.568  -4.473
  136   HG22  ILE  20          HG22      ILE  20 -10.548  -4.127  -4.284
  137   HG23  ILE  20          HG23      ILE  20  -8.980  -3.843  -3.526
  138   HD11  ILE  20          HD11      ILE  20 -12.266  -5.649  -1.256
  139   HD12  ILE  20          HD12      ILE  20 -12.061  -5.204  -2.952
  140   HD13  ILE  20          HD13      ILE  20 -13.016  -4.179  -1.875
  141    H    TRP  21           HN       TRP  21 -12.248  -1.370  -1.841
  142    HA   TRP  21           HA       TRP  21 -13.813  -0.480  -0.468
  143    HB2  TRP  21           HB2      TRP  21 -11.779  -0.706   1.764
  144    HB3  TRP  21           HB1      TRP  21 -13.511  -0.485   1.938
  145    HD1  TRP  21           HD1      TRP  21 -10.891  -3.136   1.607
  146    HE1  TRP  21           HE1      TRP  21 -12.002  -5.461   1.654
  147    HE3  TRP  21           HE3      TRP  21 -15.772  -1.705   1.146
  148    HZ2  TRP  21           HZ2      TRP  21 -14.610  -6.537   1.514
  149    HZ3  TRP  21           HZ3      TRP  21 -17.515  -3.439   1.114
  150    HH2  TRP  21           HH2      TRP  21 -16.945  -5.808   1.295
  151    H    ASP  22           HN       ASP  22 -14.094   1.500  -1.204
  152    HA   ASP  22           HA       ASP  22 -14.090   3.766  -1.299
  153    HB2  ASP  22           HB2      ASP  22 -12.117   3.580   0.980
  154    HB3  ASP  22           HB1      ASP  22 -12.679   5.104   0.300
  155    H    GLU  23           HN       GLU  23 -12.692   5.598  -2.000
  156    HA   GLU  23           HA       GLU  23 -10.763   4.524  -3.866
  157    HB2  GLU  23           HB2      GLU  23 -11.786   7.345  -3.525
  158    HB3  GLU  23           HB1      GLU  23 -10.744   6.792  -4.829
  159    HG2  GLU  23           HG2      GLU  23 -13.546   5.837  -4.280
  160    HG3  GLU  23           HG1      GLU  23 -13.056   6.956  -5.551
  161    HA   PRO  24           HA       PRO  24  -7.742   7.427  -1.599
  162    HB2  PRO  24           HB2      PRO  24  -8.911   8.675   0.704
  163    HB3  PRO  24           HB1      PRO  24  -8.348   9.442  -0.782
  164    HG2  PRO  24           HG2      PRO  24 -10.980   9.308   0.006
  165    HG3  PRO  24           HG1      PRO  24 -10.438   9.530  -1.667
  166    HD2  PRO  24           HD2      PRO  24 -11.379   7.048  -0.289
  167    HD3  PRO  24           HD1      PRO  24 -11.682   7.600  -1.951
  Start of MODEL    9
    1    H1   CYS   1           HT1      CYS   1   4.192  -1.510  -8.138
    2    H2   CYS   1           HT2      CYS   1   4.231   0.021  -7.414
    3    H3   CYS   1           HT3      CYS   1   3.322  -0.223  -8.823
    4    HA   CYS   1           HA       CYS   1   1.928  -1.827  -7.583
    5    HB2  CYS   1           HB2      CYS   1   3.193  -0.589  -5.133
    6    HB3  CYS   1           HB1      CYS   1   2.102  -1.968  -5.214
    7    H    SER   2           HN       SER   2   0.496  -0.634  -5.475
    8    HA   SER   2           HA       SER   2  -0.553   1.658  -6.917
    9    HB2  SER   2           HB2      SER   2  -2.171   1.204  -4.709
   10    HB3  SER   2           HB1      SER   2  -2.429   0.559  -6.331
   11    HG   SER   2           HG       SER   2  -2.389  -1.212  -5.052
   12    H    CYS   3           HN       CYS   3   1.884   1.471  -4.990
   13    HA   CYS   3           HA       CYS   3   1.181   3.634  -3.151
   14    HB2  CYS   3           HB2      CYS   3   3.755   2.959  -2.554
   15    HB3  CYS   3           HB1      CYS   3   2.338   2.244  -1.797
   16    H    ASN   4           HN       ASN   4   1.410   5.572  -4.078
   17    HA   ASN   4           HA       ASN   4   3.318   5.994  -6.197
   18    HB2  ASN   4           HB2      ASN   4   1.363   7.875  -4.858
   19    HB3  ASN   4           HB1      ASN   4   2.400   8.324  -6.209
   20   HD21  ASN   4          HD21      ASN   4  -0.496   8.267  -6.034
   21   HD22  ASN   4          HD22      ASN   4  -1.041   7.208  -7.295
   22    H    ASP   5           HN       ASP   5   2.818   7.408  -2.948
   23    HA   ASP   5           HA       ASP   5   5.663   8.202  -3.005
   24    HB2  ASP   5           HB2      ASP   5   3.259   9.847  -2.345
   25    HB3  ASP   5           HB1      ASP   5   4.779  10.182  -1.523
   26    H    ILE   6           HN       ILE   6   3.333   6.456  -1.353
   27    HA   ILE   6           HA       ILE   6   4.071   7.131   1.304
   28    HB   ILE   6           HB       ILE   6   2.911   5.021   1.976
   29   HG12  ILE   6          HG12      ILE   6   2.315   4.836  -0.983
   30   HG13  ILE   6          HG11      ILE   6   3.297   3.706  -0.056
   31   HG21  ILE   6          HG21      ILE   6   1.758   7.153   1.910
   32   HG22  ILE   6          HG22      ILE   6   0.680   5.852   1.407
   33   HG23  ILE   6          HG23      ILE   6   1.391   6.921   0.200
   34   HD11  ILE   6          HD11      ILE   6   1.371   3.040   1.235
   35   HD12  ILE   6          HD12      ILE   6   1.024   2.875  -0.485
   36   HD13  ILE   6          HD13      ILE   6   0.374   4.241   0.417
   37    H    ASN   7           HN       ASN   7   4.656   5.149   2.773
   38    HA   ASN   7           HA       ASN   7   7.431   5.077   2.589
   39    HB2  ASN   7           HB2      ASN   7   5.746   3.179   4.221
   40    HB3  ASN   7           HB1      ASN   7   7.375   3.748   4.574
   41   HD21  ASN   7          HD21      ASN   7   3.993   4.548   4.527
   42   HD22  ASN   7          HD22      ASN   7   4.123   5.984   5.498
   43    H    ASP   8           HN       ASP   8   8.902   3.351   2.392
   44    HA   ASP   8           HA       ASP   8   8.477   1.641   0.201
   45    HB2  ASP   8           HB2      ASP   8  10.712   2.336   0.758
   46    HB3  ASP   8           HB1      ASP   8  10.597   1.605   2.356
   47    H    LYS   9           HN       LYS   9   8.882   0.785   3.648
   48    HA   LYS   9           HA       LYS   9   8.322  -1.940   3.304
   49    HB2  LYS   9           HB2      LYS   9   8.122  -0.170   5.730
   50    HB3  LYS   9           HB1      LYS   9   7.818  -1.902   5.789
   51    HG2  LYS   9           HG2      LYS   9  10.389  -0.556   4.991
   52    HG3  LYS   9           HG1      LYS   9  10.075  -1.453   6.480
   53    HD2  LYS   9           HD2      LYS   9   9.685  -3.485   5.167
   54    HD3  LYS   9           HD1      LYS   9  10.022  -2.592   3.684
   55    HE2  LYS   9           HE2      LYS   9  12.284  -2.090   4.571
   56    HE3  LYS   9           HE1      LYS   9  11.930  -3.138   5.946
   57    HZ1  LYS   9           HZ1      LYS   9  12.001  -3.953   3.087
   58    HZ2  LYS   9           HZ2      LYS   9  11.581  -4.969   4.380
   59    HZ3  LYS   9           HZ3      LYS   9  13.153  -4.345   4.273
   60    H    GLU  10           HN       GLU  10   6.226   0.782   3.765
   61    HA   GLU  10           HA       GLU  10   3.841  -0.728   4.187
   62    HB2  GLU  10           HB2      GLU  10   3.946   1.546   4.941
   63    HB3  GLU  10           HB1      GLU  10   4.379   2.116   3.339
   64    HG2  GLU  10           HG2      GLU  10   2.192   1.678   2.506
   65    HG3  GLU  10           HG1      GLU  10   1.739   0.844   3.998
   66    H    CYS  11           HN       CYS  11   5.327   0.864   1.417
   67    HA   CYS  11           HA       CYS  11   3.419   0.352  -0.527
   68    HB2  CYS  11           HB2      CYS  11   5.295   1.876  -0.840
   69    HB3  CYS  11           HB1      CYS  11   6.430   0.533  -0.763
   70    H    MET  12           HN       MET  12   6.296  -1.607   0.298
   71    HA   MET  12           HA       MET  12   5.612  -3.708  -1.487
   72    HB2  MET  12           HB2      MET  12   7.305  -5.038  -0.227
   73    HB3  MET  12           HB1      MET  12   7.905  -3.495  -0.812
   74    HG2  MET  12           HG2      MET  12   8.423  -2.825   1.235
   75    HG3  MET  12           HG1      MET  12   6.837  -3.264   1.860
   76    HE1  MET  12           HE1      MET  12   6.198  -5.577   2.806
   77    HE2  MET  12           HE2      MET  12   7.268  -6.980   2.849
   78    HE3  MET  12           HE3      MET  12   6.672  -6.372   1.304
   79    H    TYR  13           HN       TYR  13   4.807  -3.014   1.843
   80    HA   TYR  13           HA       TYR  13   3.971  -5.522   2.715
   81    HB2  TYR  13           HB2      TYR  13   4.146  -3.822   4.346
   82    HB3  TYR  13           HB1      TYR  13   3.100  -2.733   3.446
   83    HD1  TYR  13           HD2      TYR  13   3.091  -5.938   5.327
   84    HD2  TYR  13           HD1      TYR  13   0.813  -2.622   3.947
   85    HE1  TYR  13           HE2      TYR  13   1.178  -6.707   6.662
   86    HE2  TYR  13           HE1      TYR  13  -1.111  -3.381   5.279
   87    HH   TYR  13           HH       TYR  13  -1.964  -5.451   6.275
   88    H    PHE  14           HN       PHE  14   2.096  -2.984   1.078
   89    HA   PHE  14           HA       PHE  14  -0.113  -4.891   0.941
   90    HB2  PHE  14           HB2      PHE  14  -1.599  -3.121   0.841
   91    HB3  PHE  14           HB1      PHE  14  -0.319  -2.442   1.843
   92    HD1  PHE  14           HD1      PHE  14   1.441  -0.991   0.663
   93    HD2  PHE  14           HD2      PHE  14  -2.280  -2.094  -1.071
   94    HE1  PHE  14           HE1      PHE  14   1.646   0.856  -0.942
   95    HE2  PHE  14           HE2      PHE  14  -2.089  -0.261  -2.682
   96    HZ   PHE  14           HZ       PHE  14  -0.114   1.218  -2.642
   97    H    CYS  15           HN       CYS  15   2.434  -4.001  -0.974
   98    HA   CYS  15           HA       CYS  15   1.260  -3.591  -3.480
   99    HB2  CYS  15           HB2      CYS  15   3.666  -3.275  -3.066
  100    HB3  CYS  15           HB1      CYS  15   3.863  -5.016  -2.895
  101    H    HIS  16           HN       HIS  16   1.850  -6.554  -1.704
  102    HA   HIS  16           HA       HIS  16   0.821  -8.168  -3.922
  103    HB2  HIS  16           HB2      HIS  16   1.464 -10.083  -2.618
  104    HB3  HIS  16           HB1      HIS  16   2.821  -8.975  -2.720
  105    HD1  HIS  16           HD1      HIS  16   0.966 -10.974  -0.368
  106    HD2  HIS  16           HD2      HIS  16   3.004  -7.356  -0.194
  107    HE1  HIS  16           HE1      HIS  16   1.461 -10.590   2.065
  108    HE2  HIS  16           HE2      HIS  16   2.746  -8.422   2.153
  109    H    GLN  17           HN       GLN  17  -0.890  -6.368  -2.590
  110    HA   GLN  17           HA       GLN  17  -2.890  -8.121  -1.403
  111    HB2  GLN  17           HB2      GLN  17  -1.478  -7.420   0.471
  112    HB3  GLN  17           HB1      GLN  17  -1.685  -5.736   0.019
  113    HG2  GLN  17           HG2      GLN  17  -3.090  -6.137   1.848
  114    HG3  GLN  17           HG1      GLN  17  -4.127  -6.023   0.428
  115   HE21  GLN  17          HE21      GLN  17  -5.792  -7.190   1.307
  116   HE22  GLN  17          HE22      GLN  17  -5.688  -8.889   1.620
  117    H    ASP  18           HN       ASP  18  -1.985  -4.799  -2.155
  118    HA   ASP  18           HA       ASP  18  -3.061  -3.005  -2.980
  119    HB2  ASP  18           HB2      ASP  18  -3.368  -4.648  -4.881
  120    HB3  ASP  18           HB1      ASP  18  -4.990  -4.943  -4.263
  121    H    VAL  19           HN       VAL  19  -3.671  -3.529  -0.433
  122    HA   VAL  19           HA       VAL  19  -6.541  -3.302  -0.120
  123    HB   VAL  19           HB       VAL  19  -5.455  -4.640   1.550
  124   HG11  VAL  19          HG11      VAL  19  -3.744  -3.788   3.053
  125   HG12  VAL  19          HG12      VAL  19  -3.745  -2.245   2.198
  126   HG13  VAL  19          HG13      VAL  19  -3.206  -3.710   1.373
  127   HG21  VAL  19          HG21      VAL  19  -6.244  -1.976   2.716
  128   HG22  VAL  19          HG22      VAL  19  -6.118  -3.488   3.610
  129   HG23  VAL  19          HG23      VAL  19  -7.326  -3.316   2.339
  130    H    ILE  20           HN       ILE  20  -7.423  -1.432  -0.536
  131    HA   ILE  20           HA       ILE  20  -5.906   1.023  -0.313
  132    HB   ILE  20           HB       ILE  20  -7.972   2.093  -1.217
  133   HG12  ILE  20          HG12      ILE  20  -9.011  -0.673  -1.768
  134   HG13  ILE  20          HG11      ILE  20  -9.421   0.145  -0.264
  135   HG21  ILE  20          HG21      ILE  20  -7.740   1.144  -3.470
  136   HG22  ILE  20          HG22      ILE  20  -6.861  -0.225  -2.790
  137   HG23  ILE  20          HG23      ILE  20  -6.177   1.397  -2.691
  138   HD11  ILE  20          HD11      ILE  20 -11.136   0.416  -1.988
  139   HD12  ILE  20          HD12      ILE  20  -9.958   1.235  -3.016
  140   HD13  ILE  20          HD13      ILE  20 -10.439   1.952  -1.476
  141    H    TRP  21           HN       TRP  21  -8.245   2.639   0.227
  142    HA   TRP  21           HA       TRP  21  -9.293   3.684   1.910
  143    HB2  TRP  21           HB2      TRP  21  -9.175   0.997   3.294
  144    HB3  TRP  21           HB1      TRP  21 -10.130   2.379   3.825
  145    HD1  TRP  21           HD1      TRP  21 -10.381  -0.635   1.737
  146    HE1  TRP  21           HE1      TRP  21 -12.533  -0.582   0.312
  147    HE3  TRP  21           HE3      TRP  21 -11.634   4.260   2.399
  148    HZ2  TRP  21           HZ2      TRP  21 -14.510   1.308  -0.410
  149    HZ3  TRP  21           HZ3      TRP  21 -13.671   5.121   1.312
  150    HH2  TRP  21           HH2      TRP  21 -15.074   3.675  -0.066
  151    H    ASP  22           HN       ASP  22  -6.632   3.963   1.639
  152    HA   ASP  22           HA       ASP  22  -5.576   4.189   4.358
  153    HB2  ASP  22           HB2      ASP  22  -3.493   4.796   3.395
  154    HB3  ASP  22           HB1      ASP  22  -4.116   3.527   2.348
  155    H    GLU  23           HN       GLU  23  -6.909   5.972   1.729
  156    HA   GLU  23           HA       GLU  23  -8.108   7.909   3.319
  157    HB2  GLU  23           HB2      GLU  23  -5.814   8.836   3.542
  158    HB3  GLU  23           HB1      GLU  23  -5.715   8.964   1.790
  159    HG2  GLU  23           HG2      GLU  23  -7.432  10.601   1.726
  160    HG3  GLU  23           HG1      GLU  23  -7.815  10.350   3.428
  161    HA   PRO  24           HA       PRO  24 -10.005   7.203  -0.743
  162    HB2  PRO  24           HB2      PRO  24 -12.511   7.892   0.075
  163    HB3  PRO  24           HB1      PRO  24 -11.817   6.286   0.320
  164    HG2  PRO  24           HG2      PRO  24 -12.038   8.572   2.238
  165    HG3  PRO  24           HG1      PRO  24 -12.313   6.842   2.518
  166    HD2  PRO  24           HD2      PRO  24 -10.030   8.090   3.256
  167    HD3  PRO  24           HD1      PRO  24 -10.062   6.394   2.735
  Start of MODEL   10
    1    H1   CYS   1           HT1      CYS   1   0.499  -2.554  -8.560
    2    H2   CYS   1           HT2      CYS   1  -1.070  -2.585  -7.918
    3    H3   CYS   1           HT3      CYS   1   0.056  -3.763  -7.454
    4    HA   CYS   1           HA       CYS   1  -0.204  -2.149  -5.714
    5    HB2  CYS   1           HB2      CYS   1   2.447  -1.785  -7.135
    6    HB3  CYS   1           HB1      CYS   1   2.137  -1.561  -5.417
    7    H    SER   2           HN       SER   2  -0.153   0.013  -5.002
    8    HA   SER   2           HA       SER   2  -0.058   2.079  -7.086
    9    HB2  SER   2           HB2      SER   2  -2.233   1.880  -4.987
   10    HB3  SER   2           HB1      SER   2  -2.125   3.065  -6.291
   11    HG   SER   2           HG       SER   2  -3.542   1.088  -6.539
   12    H    CYS   3           HN       CYS   3   1.879   1.370  -5.100
   13    HA   CYS   3           HA       CYS   3   1.625   3.566  -3.169
   14    HB2  CYS   3           HB2      CYS   3   3.540   2.334  -2.000
   15    HB3  CYS   3           HB1      CYS   3   1.945   1.594  -1.952
   16    H    ASN   4           HN       ASN   4   2.668   5.328  -3.620
   17    HA   ASN   4           HA       ASN   4   5.391   5.247  -4.657
   18    HB2  ASN   4           HB2      ASN   4   3.299   6.956  -6.029
   19    HB3  ASN   4           HB1      ASN   4   4.988   6.783  -6.479
   20   HD21  ASN   4          HD21      ASN   4   5.672   4.830  -7.460
   21   HD22  ASN   4          HD22      ASN   4   4.530   3.810  -8.271
   22    H    ASP   5           HN       ASP   5   2.635   7.076  -3.447
   23    HA   ASP   5           HA       ASP   5   4.204   9.387  -2.749
   24    HB2  ASP   5           HB2      ASP   5   1.425   8.668  -1.799
   25    HB3  ASP   5           HB1      ASP   5   2.163  10.267  -1.808
   26    H    ILE   6           HN       ILE   6   4.002   6.373  -1.462
   27    HA   ILE   6           HA       ILE   6   4.347   7.333   1.296
   28    HB   ILE   6           HB       ILE   6   3.608   5.112   2.066
   29   HG12  ILE   6          HG12      ILE   6   2.897   4.632  -0.840
   30   HG13  ILE   6          HG11      ILE   6   4.205   3.835   0.029
   31   HG21  ILE   6          HG21      ILE   6   1.648   6.559   0.287
   32   HG22  ILE   6          HG22      ILE   6   2.019   6.938   1.970
   33   HG23  ILE   6          HG23      ILE   6   1.221   5.418   1.562
   34   HD11  ILE   6          HD11      ILE   6   2.250   2.404  -0.144
   35   HD12  ILE   6          HD12      ILE   6   1.274   3.624   0.676
   36   HD13  ILE   6          HD13      ILE   6   2.586   2.819   1.536
   37    H    ASN   7           HN       ASN   7   5.301   4.988   2.407
   38    HA   ASN   7           HA       ASN   7   8.078   5.199   1.573
   39    HB2  ASN   7           HB2      ASN   7   8.597   4.266   3.754
   40    HB3  ASN   7           HB1      ASN   7   7.432   5.571   3.945
   41   HD21  ASN   7          HD21      ASN   7   5.251   5.042   4.387
   42   HD22  ASN   7          HD22      ASN   7   4.836   3.536   5.115
   43    H    ASP   8           HN       ASP   8   9.393   3.124   1.978
   44    HA   ASP   8           HA       ASP   8   8.637   1.244  -0.005
   45    HB2  ASP   8           HB2      ASP   8  10.767   0.916   2.120
   46    HB3  ASP   8           HB1      ASP   8  10.653   0.027   0.607
   47    H    LYS   9           HN       LYS   9   8.843   1.035   3.519
   48    HA   LYS   9           HA       LYS   9   8.388  -1.674   3.856
   49    HB2  LYS   9           HB2      LYS   9   7.554   0.607   5.649
   50    HB3  LYS   9           HB1      LYS   9   7.621  -1.081   6.135
   51    HG2  LYS   9           HG2      LYS   9   9.966  -1.153   5.925
   52    HG3  LYS   9           HG1      LYS   9  10.009   0.397   5.082
   53    HD2  LYS   9           HD2      LYS   9   9.315   1.551   7.079
   54    HD3  LYS   9           HD1      LYS   9   9.107   0.022   7.936
   55    HE2  LYS   9           HE2      LYS   9  11.202   1.167   8.526
   56    HE3  LYS   9           HE1      LYS   9  11.483  -0.414   7.797
   57    HZ1  LYS   9           HZ1      LYS   9  11.709   2.219   6.438
   58    HZ2  LYS   9           HZ2      LYS   9  11.929   0.709   5.690
   59    HZ3  LYS   9           HZ3      LYS   9  12.995   1.216   6.903
   60    H    GLU  10           HN       GLU  10   5.982   0.938   3.936
   61    HA   GLU  10           HA       GLU  10   3.796  -0.865   4.236
   62    HB2  GLU  10           HB2      GLU  10   3.660   1.422   5.042
   63    HB3  GLU  10           HB1      GLU  10   3.890   2.039   3.413
   64    HG2  GLU  10           HG2      GLU  10   1.761   1.190   2.724
   65    HG3  GLU  10           HG1      GLU  10   1.537   0.371   4.272
   66    H    CYS  11           HN       CYS  11   5.333   0.738   1.524
   67    HA   CYS  11           HA       CYS  11   3.466   0.214  -0.480
   68    HB2  CYS  11           HB2      CYS  11   5.373   1.717  -0.784
   69    HB3  CYS  11           HB1      CYS  11   6.483   0.358  -0.654
   70    H    MET  12           HN       MET  12   6.369  -1.697   0.377
   71    HA   MET  12           HA       MET  12   5.766  -3.855  -1.337
   72    HB2  MET  12           HB2      MET  12   7.395  -5.138   0.001
   73    HB3  MET  12           HB1      MET  12   8.009  -3.555  -0.455
   74    HG2  MET  12           HG2      MET  12   8.221  -2.900   1.664
   75    HG3  MET  12           HG1      MET  12   6.647  -3.558   2.112
   76    HE1  MET  12           HE1      MET  12   6.718  -6.559   1.574
   77    HE2  MET  12           HE2      MET  12   6.208  -5.841   3.101
   78    HE3  MET  12           HE3      MET  12   7.355  -7.182   3.099
   79    H    TYR  13           HN       TYR  13   4.778  -3.092   1.932
   80    HA   TYR  13           HA       TYR  13   3.985  -5.607   2.814
   81    HB2  TYR  13           HB2      TYR  13   4.134  -3.711   4.323
   82    HB3  TYR  13           HB1      TYR  13   2.824  -2.896   3.475
   83    HD1  TYR  13           HD2      TYR  13   3.636  -5.829   5.582
   84    HD2  TYR  13           HD1      TYR  13   0.556  -3.319   4.037
   85    HE1  TYR  13           HE2      TYR  13   2.017  -6.897   7.090
   86    HE2  TYR  13           HE1      TYR  13  -1.068  -4.381   5.548
   87    HH   TYR  13           HH       TYR  13  -0.164  -6.322   8.147
   88    H    PHE  14           HN       PHE  14   2.049  -3.126   1.139
   89    HA   PHE  14           HA       PHE  14  -0.071  -5.136   0.901
   90    HB2  PHE  14           HB2      PHE  14  -1.647  -3.432   0.801
   91    HB3  PHE  14           HB1      PHE  14  -0.451  -2.768   1.907
   92    HD1  PHE  14           HD1      PHE  14   1.440  -1.382   0.743
   93    HD2  PHE  14           HD2      PHE  14  -2.416  -2.090  -0.902
   94    HE1  PHE  14           HE1      PHE  14   1.686   0.616  -0.664
   95    HE2  PHE  14           HE2      PHE  14  -2.178  -0.095  -2.319
   96    HZ   PHE  14           HZ       PHE  14  -0.197   1.228  -2.263
   97    H    CYS  15           HN       CYS  15   2.475  -4.174  -0.874
   98    HA   CYS  15           HA       CYS  15   1.484  -3.606  -3.416
   99    HB2  CYS  15           HB2      CYS  15   3.930  -3.732  -2.461
  100    HB3  CYS  15           HB1      CYS  15   3.875  -5.381  -3.057
  101    H    HIS  16           HN       HIS  16   1.895  -6.691  -1.756
  102    HA   HIS  16           HA       HIS  16   0.870  -8.151  -4.069
  103    HB2  HIS  16           HB2      HIS  16   1.402 -10.154  -2.858
  104    HB3  HIS  16           HB1      HIS  16   2.794  -9.086  -2.814
  105    HD1  HIS  16           HD1      HIS  16   1.056 -11.322  -0.744
  106    HD2  HIS  16           HD2      HIS  16   2.569  -7.484  -0.152
  107    HE1  HIS  16           HE1      HIS  16   1.299 -11.058   1.746
  108    HE2  HIS  16           HE2      HIS  16   2.058  -8.681   2.078
  109    H    GLN  17           HN       GLN  17  -0.515  -6.417  -1.818
  110    HA   GLN  17           HA       GLN  17  -2.694  -8.300  -1.221
  111    HB2  GLN  17           HB2      GLN  17  -1.664  -7.596   0.808
  112    HB3  GLN  17           HB1      GLN  17  -1.642  -5.915   0.295
  113    HG2  GLN  17           HG2      GLN  17  -3.957  -5.685   0.597
  114    HG3  GLN  17           HG1      GLN  17  -4.193  -7.428   0.727
  115   HE21  GLN  17          HE21      GLN  17  -3.168  -4.543   2.353
  116   HE22  GLN  17          HE22      GLN  17  -3.119  -5.212   3.950
  117    H    ASP  18           HN       ASP  18  -2.010  -4.917  -1.975
  118    HA   ASP  18           HA       ASP  18  -3.130  -3.293  -3.037
  119    HB2  ASP  18           HB2      ASP  18  -4.612  -5.635  -4.228
  120    HB3  ASP  18           HB1      ASP  18  -4.849  -3.967  -4.734
  121    H    VAL  19           HN       VAL  19  -4.017  -2.201  -1.375
  122    HA   VAL  19           HA       VAL  19  -6.604  -3.000  -0.368
  123    HB   VAL  19           HB       VAL  19  -6.385  -1.084   1.166
  124   HG11  VAL  19          HG11      VAL  19  -4.019  -2.947   1.139
  125   HG12  VAL  19          HG12      VAL  19  -5.601  -3.282   1.843
  126   HG13  VAL  19          HG13      VAL  19  -4.580  -2.019   2.531
  127   HG21  VAL  19          HG21      VAL  19  -5.022   0.370  -0.241
  128   HG22  VAL  19          HG22      VAL  19  -3.661  -0.734  -0.064
  129   HG23  VAL  19          HG23      VAL  19  -4.282   0.131   1.340
  130    H    ILE  20           HN       ILE  20  -8.405  -2.276  -1.149
  131    HA   ILE  20           HA       ILE  20  -8.415  -0.300  -3.256
  132    HB   ILE  20           HB       ILE  20 -10.937  -0.824  -3.238
  133   HG12  ILE  20          HG12      ILE  20 -11.372  -3.173  -2.340
  134   HG13  ILE  20          HG11      ILE  20  -9.894  -2.994  -1.406
  135   HG21  ILE  20          HG21      ILE  20  -8.908  -2.948  -3.905
  136   HG22  ILE  20          HG22      ILE  20  -9.403  -1.603  -4.934
  137   HG23  ILE  20          HG23      ILE  20 -10.555  -2.876  -4.530
  138   HD11  ILE  20          HD11      ILE  20 -11.840  -2.520  -0.053
  139   HD12  ILE  20          HD12      ILE  20 -12.352  -1.272  -1.189
  140   HD13  ILE  20          HD13      ILE  20 -10.867  -1.063  -0.261
  141    H    TRP  21           HN       TRP  21  -7.920   0.437  -0.396
  142    HA   TRP  21           HA       TRP  21 -10.208   2.182   0.132
  143    HB2  TRP  21           HB2      TRP  21  -7.877   1.416   1.906
  144    HB3  TRP  21           HB1      TRP  21  -9.213   2.462   2.381
  145    HD1  TRP  21           HD1      TRP  21  -8.434  -1.206   1.568
  146    HE1  TRP  21           HE1      TRP  21 -10.308  -2.678   2.542
  147    HE3  TRP  21           HE3      TRP  21 -11.613   2.480   3.118
  148    HZ2  TRP  21           HZ2      TRP  21 -12.806  -2.308   3.810
  149    HZ3  TRP  21           HZ3      TRP  21 -13.723   1.839   4.203
  150    HH2  TRP  21           HH2      TRP  21 -14.308  -0.507   4.543
  151    H    ASP  22           HN       ASP  22 -10.029   4.114  -0.805
  152    HA   ASP  22           HA       ASP  22  -7.461   5.528  -0.489
  153    HB2  ASP  22           HB2      ASP  22  -7.997   5.108  -2.874
  154    HB3  ASP  22           HB1      ASP  22  -9.517   5.974  -2.666
  155    H    GLU  23           HN       GLU  23  -7.730   6.725   1.255
  156    HA   GLU  23           HA       GLU  23 -10.212   7.487   2.315
  157    HB2  GLU  23           HB2      GLU  23  -7.383   8.259   2.914
  158    HB3  GLU  23           HB1      GLU  23  -8.710   9.096   3.708
  159    HG2  GLU  23           HG2      GLU  23  -7.854   7.306   5.098
  160    HG3  GLU  23           HG1      GLU  23  -9.516   6.982   4.614
  161    HA   PRO  24           HA       PRO  24 -10.776  11.276   0.012
  162    HB2  PRO  24           HB2      PRO  24 -13.452  11.428   0.619
  163    HB3  PRO  24           HB1      PRO  24 -12.787  10.489  -0.716
  164    HG2  PRO  24           HG2      PRO  24 -14.044   9.544   1.698
  165    HG3  PRO  24           HG1      PRO  24 -13.481   8.605   0.307
  166    HD2  PRO  24           HD2      PRO  24 -12.196   9.042   2.906
  167    HD3  PRO  24           HD1      PRO  24 -11.866   7.804   1.679