*HEADER    TOXIN                                   24-MAY-11   2LDE              
*TITLE     SOLUTION STRUCTURE OF THE LONG SARAFOTOXIN SRTX-I3                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: SARAFOTOXIN-I3;                                            
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES                                                       
*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 2LDE    0                                                


 ASSI {    1}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.800     1.000     1.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.25256E-02 ppm1      8.944 ppm2      4.729 CV     1
 ASSI {    1}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      2.100     0.600     0.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.11079E-01 ppm1      8.945 ppm2      4.183 CV     1
 ASSI {    2}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
      2.500     0.800     0.800 peak     2 spectrum    1 weight  0.10000E+01 volume  0.58308E-02 ppm1      8.945 ppm2      3.821 CV     1
 OR {    2}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI {    3}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB2 ))
      3.400     1.400     1.400 peak     3 spectrum    1 weight  0.10000E+01 volume  0.20485E-02 ppm1      8.945 ppm2      3.322 CV     1
 ASSI {    4}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB1 ))
      3.200     1.300     1.300 peak     4 spectrum    1 weight  0.10000E+01 volume  0.15226E-02 ppm1      8.945 ppm2      3.073 CV     1
 ASSI {   12}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.800     1.000     1.000 peak    12 spectrum    1 weight  0.10000E+01 volume  0.21877E-02 ppm1      8.728 ppm2      4.895 CV     1
 ASSI {   15}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.000     1.100     1.100 peak    15 spectrum    1 weight  0.10000E+01 volume  0.16026E-02 ppm1      8.730 ppm2      3.370 CV     1
 ASSI {   21}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak    21 spectrum    1 weight  0.10000E+01 volume  0.22227E-02 ppm1      8.415 ppm2      4.629 CV     1
 ASSI {   22}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.200     1.300     1.300 peak    22 spectrum    1 weight  0.10000E+01 volume  0.13123E-02 ppm1      8.420 ppm2      4.375 CV     1
 ASSI {   25}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      4.400     2.400     1.600 peak    25 spectrum    1 weight  0.10000E+01 volume  0.55095E-03 ppm1      8.417 ppm2      3.306 CV     1
 OR {   25}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {   29}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.600     0.800     0.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.41357E-02 ppm1      8.414 ppm2      2.750 CV     1
 OR {   29}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {   35}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      2.800     1.000     1.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.45121E-02 ppm1      8.355 ppm2      2.742 CV     1
 ASSI {   36}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak    36 spectrum    1 weight  0.10000E+01 volume  0.56625E-02 ppm1      8.354 ppm2      4.651 CV     1
 ASSI {   37}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.300     1.300     1.300 peak    37 spectrum    1 weight  0.10000E+01 volume  0.17872E-02 ppm1      8.355 ppm2      1.727 CV     1
 ASSI {   38}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.100     1.200     1.200 peak    38 spectrum    1 weight  0.10000E+01 volume  0.20750E-02 ppm1      8.355 ppm2      1.789 CV     1
 ASSI {   39}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.300     0.700     0.700 peak    39 spectrum    1 weight  0.10000E+01 volume  0.84600E-02 ppm1      8.354 ppm2      4.271 CV     1
 ASSI {   40}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      4.000     2.000     2.000 peak    40 spectrum    1 weight  0.10000E+01 volume  0.56768E-03 ppm1      8.356 ppm2      0.807 CV     1
 ASSI {   41}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.700     1.700     1.700 peak    41 spectrum    1 weight  0.10000E+01 volume  0.70074E-03 ppm1      8.355 ppm2      1.342 CV     1
 OR {   41}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {   42}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HD1%)
      4.400     2.400     1.600 peak    42 spectrum    1 weight  0.10000E+01 volume  0.49937E-03 ppm1      8.332 ppm2      0.852 CV     1
 ASSI {   43}
   (( segid "    " and resid 9    and name HN  ))
   (  segid "    " and resid 9    and name HD2%)
      4.200     2.200     1.800 peak    43 spectrum    1 weight  0.10000E+01 volume  0.71163E-03 ppm1      8.333 ppm2      0.905 CV     1
 ASSI {   44}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG  ))
      3.500     1.600     1.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.15713E-02 ppm1      8.333 ppm2      1.539 CV     1
 ASSI {   47}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      4.500     2.500     1.500 peak    47 spectrum    1 weight  0.10000E+01 volume  0.40906E-03 ppm1      8.336 ppm2      2.144 CV     1
 ASSI {   49}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      2.800     1.000     1.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.22708E-02 ppm1      8.333 ppm2      2.887 CV     1
 ASSI {   50}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      2.900     1.000     1.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.26001E-02 ppm1      8.333 ppm2      2.831 CV     1
 ASSI {   53}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      2.900     1.100     1.100 peak    53 spectrum    1 weight  0.10000E+01 volume  0.26170E-02 ppm1      8.306 ppm2      2.616 CV     1
 ASSI {   54}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.800     1.000     1.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.26399E-02 ppm1      8.308 ppm2      2.767 CV     1
 ASSI {   55}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.600     0.900     0.900 peak    55 spectrum    1 weight  0.10000E+01 volume  0.38442E-02 ppm1      8.308 ppm2      4.510 CV     1
 ASSI {   57}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB  ))
      3.400     1.500     1.500 peak    57 spectrum    1 weight  0.10000E+01 volume  0.18230E-02 ppm1      8.309 ppm2      1.885 CV     1
 ASSI {   58}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 22   and name HG1%)
      2.700     0.900     0.900 peak    58 spectrum    1 weight  0.10000E+01 volume  0.14967E-02 ppm1      8.309 ppm2      0.800 CV     1
 ASSI {   59}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.600     0.800     0.800 peak    59 spectrum    1 weight  0.10000E+01 volume  0.46275E-02 ppm1      8.280 ppm2      4.284 CV     1
 ASSI {   60}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.900     1.900     1.900 peak    60 spectrum    1 weight  0.10000E+01 volume  0.38706E-03 ppm1      8.275 ppm2      1.813 CV     1
 ASSI {   61}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      3.100     1.200     1.200 peak    61 spectrum    1 weight  0.10000E+01 volume  0.13837E-02 ppm1      8.233 ppm2      4.653 CV     1
 ASSI {   62}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.600     0.900     0.900 peak    62 spectrum    1 weight  0.10000E+01 volume  0.39132E-02 ppm1      8.232 ppm2      4.109 CV     1
 ASSI {   63}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      2.600     0.900     0.900 peak    63 spectrum    1 weight  0.10000E+01 volume  0.33967E-02 ppm1      8.231 ppm2      3.138 CV     1
 ASSI {   64}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      2.700     0.900     0.900 peak    64 spectrum    1 weight  0.10000E+01 volume  0.43081E-02 ppm1      8.232 ppm2      3.211 CV     1
 ASSI {   65}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      3.500     1.500     1.500 peak    65 spectrum    1 weight  0.10000E+01 volume  0.16525E-02 ppm1      8.231 ppm2      1.754 CV     1
 ASSI {   66}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      3.900     1.900     1.900 peak    66 spectrum    1 weight  0.10000E+01 volume  0.35275E-03 ppm1      8.232 ppm2      0.805 CV     1
 ASSI {   69}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG11))
      4.100     2.100     1.900 peak    69 spectrum    1 weight  0.10000E+01 volume  0.36215E-03 ppm1      8.233 ppm2      1.091 CV     1
 ASSI {   71}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.600     0.800     0.800 peak    71 spectrum    1 weight  0.10000E+01 volume  0.43811E-02 ppm1      8.216 ppm2      4.510 CV     1
 ASSI {   72}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA  ))
      2.800     1.000     1.000 peak    72 spectrum    1 weight  0.10000E+01 volume  0.27200E-02 ppm1      8.216 ppm2      4.284 CV     1
 ASSI {   73}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB1 ))
      3.000     1.100     1.100 peak    73 spectrum    1 weight  0.10000E+01 volume  0.23259E-02 ppm1      8.218 ppm2      1.667 CV     1
 ASSI {   74}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG1 ))
      3.800     1.800     1.800 peak    74 spectrum    1 weight  0.10000E+01 volume  0.39791E-03 ppm1      8.215 ppm2      1.536 CV     1
 OR {   74}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HG2 ))
 ASSI {   75}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HB2 ))
      3.200     1.200     1.200 peak    75 spectrum    1 weight  0.10000E+01 volume  0.14477E-02 ppm1      8.219 ppm2      1.815 CV     1
 ASSI {   76}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.500     0.800     0.800 peak    76 spectrum    1 weight  0.10000E+01 volume  0.40466E-02 ppm1      8.203 ppm2      4.094 CV     1
 ASSI {   78}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.000     1.100     1.100 peak    78 spectrum    1 weight  0.10000E+01 volume  0.30706E-02 ppm1      8.206 ppm2      2.613 CV     1
 ASSI {   79}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      2.400     0.700     0.700 peak    79 spectrum    1 weight  0.10000E+01 volume  0.36735E-02 ppm1      8.205 ppm2      2.536 CV     1
 ASSI {   80}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.300     0.700     0.700 peak    80 spectrum    1 weight  0.10000E+01 volume  0.60238E-02 ppm1      8.204 ppm2      2.149 CV     1
 ASSI {   81}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.000     1.100     1.100 peak    81 spectrum    1 weight  0.10000E+01 volume  0.38134E-02 ppm1      8.204 ppm2      2.080 CV     1
 ASSI {   83}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.500     1.500     1.500 peak    83 spectrum    1 weight  0.10000E+01 volume  0.86227E-03 ppm1      8.206 ppm2      4.382 CV     1
 ASSI {   84}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.400     0.700     0.700 peak    84 spectrum    1 weight  0.10000E+01 volume  0.55721E-02 ppm1      8.207 ppm2      3.103 CV     1
 OR {   84}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {   87}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.500     0.800     0.800 peak    87 spectrum    1 weight  0.10000E+01 volume  0.50388E-02 ppm1      8.180 ppm2      4.472 CV     1
 ASSI {   88}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.800     1.000     1.000 peak    88 spectrum    1 weight  0.10000E+01 volume  0.26526E-02 ppm1      8.180 ppm2      4.234 CV     1
 ASSI {   89}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.300     0.700     0.700 peak    89 spectrum    1 weight  0.10000E+01 volume  0.74775E-02 ppm1      8.181 ppm2      4.635 CV     1
 ASSI {   90}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      3.400     1.400     1.400 peak    90 spectrum    1 weight  0.10000E+01 volume  0.71681E-03 ppm1      8.180 ppm2      2.318 CV     1
 ASSI {   91}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      3.700     1.700     1.700 peak    91 spectrum    1 weight  0.10000E+01 volume  0.48671E-03 ppm1      8.182 ppm2      2.439 CV     1
 ASSI {   93}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.400     0.700     0.700 peak    93 spectrum    1 weight  0.10000E+01 volume  0.35075E-02 ppm1      8.180 ppm2      2.068 CV     1
 ASSI {   95}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      2.700     0.900     0.900 peak    95 spectrum    1 weight  0.10000E+01 volume  0.34144E-02 ppm1      8.061 ppm2      3.958 CV     1
 ASSI {   96}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.500     0.800     0.800 peak    96 spectrum    1 weight  0.10000E+01 volume  0.51261E-02 ppm1      8.059 ppm2      4.103 CV     1
 ASSI {   97}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.200     0.600     0.600 peak    97 spectrum    1 weight  0.10000E+01 volume  0.81737E-02 ppm1      8.060 ppm2      4.898 CV     1
 ASSI {   98}
   (( segid "    " and resid 4    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      2.900     1.000     1.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.18357E-02 ppm1      8.061 ppm2      1.134 CV     1
 ASSI {  101}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      3.600     1.600     1.600 peak   101 spectrum    1 weight  0.10000E+01 volume  0.29050E-03 ppm1      8.061 ppm2      3.822 CV     1
 OR {  101}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
 ASSI {  102}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      2.600     0.800     0.800 peak   102 spectrum    1 weight  0.10000E+01 volume  0.36866E-02 ppm1      8.033 ppm2      4.105 CV     1
 ASSI {  103}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.000     0.500     0.500 peak   103 spectrum    1 weight  0.10000E+01 volume  0.12604E-01 ppm1      8.033 ppm2      4.025 CV     1
 ASSI {  105}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB  ))
      2.200     0.600     0.600 peak   105 spectrum    1 weight  0.10000E+01 volume  0.88122E-02 ppm1      8.036 ppm2      1.753 CV     1
 ASSI {  106}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG12))
      3.400     1.500     1.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.22853E-02 ppm1      8.035 ppm2      1.359 CV     1
 ASSI {  107}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      2.900     1.100     1.100 peak   107 spectrum    1 weight  0.10000E+01 volume  0.16922E-02 ppm1      8.035 ppm2      0.772 CV     1
 ASSI {  108}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      3.700     1.700     1.700 peak   108 spectrum    1 weight  0.10000E+01 volume  0.78105E-03 ppm1      8.035 ppm2      0.807 CV     1
 ASSI {  109}
   (( segid "    " and resid 20   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      3.100     1.200     1.200 peak   109 spectrum    1 weight  0.10000E+01 volume  0.21972E-02 ppm1      8.034 ppm2      0.709 CV     1
 ASSI {  110}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HG11))
      3.200     3.200     2.800 peak   110 spectrum    1 weight  0.10000E+01 volume  0.23854E-02 ppm1      8.032 ppm2      1.088 CV     1
 ASSI {  111}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      2.500     0.800     0.800 peak   111 spectrum    1 weight  0.10000E+01 volume  0.49441E-02 ppm1      7.968 ppm2      4.269 CV     1
 ASSI {  112}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      3.000     1.100     1.100 peak   112 spectrum    1 weight  0.10000E+01 volume  0.20419E-02 ppm1      7.972 ppm2      4.630 CV     1
 ASSI {  113}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     3.100     2.900 peak   113 spectrum    1 weight  0.10000E+01 volume  0.29984E-02 ppm1      7.975 ppm2      4.096 CV     1
 ASSI {  114}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.800     1.000     1.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.28994E-02 ppm1      7.971 ppm2      3.308 CV     1
 OR {  114}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  115}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      2.700     0.900     0.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.31087E-02 ppm1      7.969 ppm2      1.339 CV     1
 OR {  115}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  116}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
      3.100     1.200     1.200 peak   116 spectrum    1 weight  0.10000E+01 volume  0.16580E-02 ppm1      7.972 ppm2      1.787 CV     1
 ASSI {  117}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      2.700     2.700     3.300 peak   117 spectrum    1 weight  0.10000E+01 volume  0.42872E-02 ppm1      7.971 ppm2      1.723 CV     1
 ASSI {  119}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HD2 ))
      4.600     2.600     1.400 peak   119 spectrum    1 weight  0.10000E+01 volume  0.22935E-03 ppm1      7.969 ppm2      1.617 CV     1
 OR {  119}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI {  120}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.800     1.800     1.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.21147E-03 ppm1      7.972 ppm2      3.132 CV     1
 ASSI {  121}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      4.200     2.200     1.800 peak   121 spectrum    1 weight  0.10000E+01 volume  0.45288E-03 ppm1      7.968 ppm2      2.796 CV     1
 ASSI {  123}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      3.600     1.600     1.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.60562E-03 ppm1      7.975 ppm2      4.382 CV     1
 ASSI {  124}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HA  ))
      2.600     0.800     0.800 peak   124 spectrum    1 weight  0.10000E+01 volume  0.36212E-02 ppm1      7.904 ppm2      4.032 CV     1
 ASSI {  125}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA  ))
      2.400     0.700     0.700 peak   125 spectrum    1 weight  0.10000E+01 volume  0.69254E-02 ppm1      7.902 ppm2      4.649 CV     1
 ASSI {  127}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      4.300     2.300     1.700 peak   127 spectrum    1 weight  0.10000E+01 volume  0.34578E-03 ppm1      7.902 ppm2      4.101 CV     1
 ASSI {  128}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      5.200     3.300     0.800 peak   128 spectrum    1 weight  0.10000E+01 volume  0.10116E-03 ppm1      7.900 ppm2      4.270 CV     1
 ASSI {  132}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      2.700     0.900     0.900 peak   132 spectrum    1 weight  0.10000E+01 volume  0.43245E-02 ppm1      7.901 ppm2      1.920 CV     1
 ASSI {  134}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      3.000     1.100     1.100 peak   134 spectrum    1 weight  0.10000E+01 volume  0.15973E-02 ppm1      7.904 ppm2      0.709 CV     1
 ASSI {  136}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      3.200     1.200     1.200 peak   136 spectrum    1 weight  0.10000E+01 volume  0.15276E-02 ppm1      7.901 ppm2      2.873 CV     1
 ASSI {  139}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak   139 spectrum    1 weight  0.10000E+01 volume  0.49912E-02 ppm1      7.848 ppm2      3.308 CV     1
 OR {  139}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  140}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.700     1.700     1.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.17289E-02 ppm1      7.848 ppm2      3.127 CV     1
 ASSI {  143}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HA  ))
      6.000     4.600     0.000 peak   143 spectrum    1 weight  0.10000E+01 volume  0.68005E-04 ppm1      7.847 ppm2      4.266 CV     1
 ASSI {  144}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.600     0.900     0.900 peak   144 spectrum    1 weight  0.10000E+01 volume  0.37122E-02 ppm1      7.821 ppm2      4.469 CV     1
 ASSI {  145}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak   145 spectrum    1 weight  0.10000E+01 volume  0.20617E-02 ppm1      7.818 ppm2      4.096 CV     1
 ASSI {  146}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.200     1.300     1.300 peak   146 spectrum    1 weight  0.10000E+01 volume  0.12032E-02 ppm1      7.819 ppm2      4.062 CV     1
 ASSI {  147}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.100     0.600     0.600 peak   147 spectrum    1 weight  0.10000E+01 volume  0.11057E-01 ppm1      7.820 ppm2      2.754 CV     1
 OR {  147}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  148}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.800     1.000     1.000 peak   148 spectrum    1 weight  0.10000E+01 volume  0.21742E-02 ppm1      7.820 ppm2      2.148 CV     1
 ASSI {  149}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      3.300     1.400     1.400 peak   149 spectrum    1 weight  0.10000E+01 volume  0.16618E-02 ppm1      7.820 ppm2      2.082 CV     1
 ASSI {  150}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      4.900     3.000     1.100 peak   150 spectrum    1 weight  0.10000E+01 volume  0.17165E-03 ppm1      7.819 ppm2      2.526 CV     1
 ASSI {  151}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      5.600     3.900     0.400 peak   151 spectrum    1 weight  0.10000E+01 volume  0.11219E-03 ppm1      7.821 ppm2      2.618 CV     1
 ASSI {  152}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 9    and name HD2%)
      5.100     3.300     0.900 peak   152 spectrum    1 weight  0.10000E+01 volume  0.11443E-03 ppm1      7.822 ppm2      0.900 CV     1
 ASSI {  153}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      5.100     3.300     0.900 peak   153 spectrum    1 weight  0.10000E+01 volume  0.76978E-04 ppm1      7.820 ppm2      1.628 CV     1
 ASSI {  154}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.800     1.000     1.000 peak   154 spectrum    1 weight  0.10000E+01 volume  0.28263E-02 ppm1      7.799 ppm2      3.963 CV     1
 ASSI {  155}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA  ))
      2.200     0.600     0.600 peak   155 spectrum    1 weight  0.10000E+01 volume  0.96532E-02 ppm1      7.798 ppm2      4.658 CV     1
 ASSI {  156}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HG2%)
      2.500     0.800     0.800 peak   156 spectrum    1 weight  0.10000E+01 volume  0.38592E-02 ppm1      7.797 ppm2      0.801 CV     1
 OR {  156}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 22   and name HG1%)
 ASSI {  157}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB  ))
      2.800     1.000     1.000 peak   157 spectrum    1 weight  0.10000E+01 volume  0.31263E-02 ppm1      7.799 ppm2      1.884 CV     1
 ASSI {  158}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.500     1.500     1.500 peak   158 spectrum    1 weight  0.10000E+01 volume  0.12099E-02 ppm1      7.796 ppm2      3.213 CV     1
 ASSI {  160}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      4.400     2.400     1.600 peak   160 spectrum    1 weight  0.10000E+01 volume  0.90005E-04 ppm1      7.801 ppm2      0.705 CV     1
 ASSI {  161}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 20   and name HG12))
      5.200     3.300     0.800 peak   161 spectrum    1 weight  0.10000E+01 volume  0.33579E-04 ppm1      7.802 ppm2      1.366 CV     1
 ASSI {  164}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      5.100     3.200     0.900 peak   164 spectrum    1 weight  0.10000E+01 volume  0.10946E-03 ppm1      7.757 ppm2      4.381 CV     1
 ASSI {  166}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.400     0.700     0.700 peak   166 spectrum    1 weight  0.10000E+01 volume  0.42648E-02 ppm1      7.759 ppm2      2.147 CV     1
 ASSI {  169}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HG  ))
      3.100     1.200     1.200 peak   169 spectrum    1 weight  0.10000E+01 volume  0.17194E-02 ppm1      7.760 ppm2      1.536 CV     1
 ASSI {  170}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      4.600     2.700     1.400 peak   170 spectrum    1 weight  0.10000E+01 volume  0.63823E-04 ppm1      7.755 ppm2      4.467 CV     1
 ASSI {  171}
   (( segid "    " and resid 21   and name HE1 ))
   (  segid "    " and resid 19   and name HG1%)
      4.500     2.500     1.500 peak   171 spectrum    1 weight  0.10000E+01 volume  0.14971E-03 ppm1     10.034 ppm2      0.711 CV     1
 ASSI {  172}
   (( segid "    " and resid 21   and name HE1 ))
   (  segid "    " and resid 20   and name HG2%)
      4.900     3.000     1.100 peak   172 spectrum    1 weight  0.10000E+01 volume  0.47761E-04 ppm1     10.032 ppm2      0.773 CV     1
 ASSI {  173}
   (( segid "    " and resid 21   and name HE1 ))
   (  segid "    " and resid 19   and name HG2%)
      4.300     2.300     1.700 peak   173 spectrum    1 weight  0.10000E+01 volume  0.22650E-03 ppm1     10.033 ppm2      0.803 CV     1
 ASSI {  174}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HB2 ))
      2.700     0.900     0.900 peak   174 spectrum    1 weight  0.10000E+01 volume  0.32847E-02 ppm1      7.198 ppm2      3.307 CV     1
 OR {  174}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HB1 ))
 ASSI {  175}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.400     1.500     1.500 peak   175 spectrum    1 weight  0.10000E+01 volume  0.85176E-03 ppm1      7.198 ppm2      4.630 CV     1
 ASSI {  176}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 12   and name HA  ))
      3.200     1.300     1.300 peak   176 spectrum    1 weight  0.10000E+01 volume  0.11149E-02 ppm1      7.198 ppm2      4.096 CV     1
 ASSI {  177}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 15   and name HB2 ))
      4.500     2.500     1.500 peak   177 spectrum    1 weight  0.10000E+01 volume  0.77510E-03 ppm1      7.194 ppm2      3.128 CV     1
 ASSI {  178}
   (( segid "    " and resid 16   and name HD2 ))
   (( segid "    " and resid 15   and name HB1 ))
      3.300     1.400     1.400 peak   178 spectrum    1 weight  0.10000E+01 volume  0.64130E-03 ppm1      7.196 ppm2      2.811 CV     1
 ASSI {  180}
   (( segid "    " and resid 16   and name HE1 ))
   (( segid "    " and resid 16   and name HB1 ))
      4.300     2.400     1.700 peak   180 spectrum    1 weight  0.10000E+01 volume  0.47082E-03 ppm1      8.538 ppm2      3.308 CV     1
 OR {  180}
   (( segid "    " and resid 16   and name HE1 ))
   (( segid "    " and resid 16   and name HB2 ))
 ASSI {  181}
   (( segid "    " and resid 13   and name HD22))
   (( segid "    " and resid 13   and name HA  ))
      4.600     2.700     1.400 peak   181 spectrum    1 weight  0.10000E+01 volume  0.21450E-03 ppm1      7.430 ppm2      4.468 CV     1
 ASSI {  182}
   (( segid "    " and resid 13   and name HD21))
   (( segid "    " and resid 13   and name HA  ))
      4.700     2.800     1.300 peak   182 spectrum    1 weight  0.10000E+01 volume  0.19535E-03 ppm1      6.858 ppm2      4.468 CV     1
 ASSI {  183}
   (( segid "    " and resid 13   and name HD21))
   (( segid "    " and resid 13   and name HB1 ))
      2.900     1.100     1.100 peak   183 spectrum    1 weight  0.10000E+01 volume  0.13689E-02 ppm1      6.860 ppm2      2.751 CV     1
 OR {  183}
   (( segid "    " and resid 13   and name HD21))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  184}
   (( segid "    " and resid 13   and name HD22))
   (( segid "    " and resid 13   and name HB1 ))
      3.400     1.400     1.400 peak   184 spectrum    1 weight  0.10000E+01 volume  0.23315E-02 ppm1      7.430 ppm2      2.750 CV     1
 OR {  184}
   (( segid "    " and resid 13   and name HD22))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  185}
   (( segid "    " and resid 13   and name HD22))
   (( segid "    " and resid 10   and name HA  ))
      3.900     1.900     1.900 peak   185 spectrum    1 weight  0.10000E+01 volume  0.10603E-02 ppm1      7.430 ppm2      4.068 CV     1
 ASSI {  186}
   (( segid "    " and resid 13   and name HD21))
   (( segid "    " and resid 10   and name HA  ))
      3.300     1.400     1.400 peak   186 spectrum    1 weight  0.10000E+01 volume  0.74429E-03 ppm1      6.860 ppm2      4.067 CV     1
 ASSI {  187}
   (( segid "    " and resid 13   and name HD21))
   (  segid "    " and resid 9    and name HD2%)
      3.800     1.800     1.800 peak   187 spectrum    1 weight  0.10000E+01 volume  0.64354E-03 ppm1      6.860 ppm2      0.904 CV     1
 ASSI {  189}
   (( segid "    " and resid 13   and name HD22))
   (  segid "    " and resid 9    and name HD2%)
      3.600     1.600     1.600 peak   189 spectrum    1 weight  0.10000E+01 volume  0.46137E-03 ppm1      7.431 ppm2      0.902 CV     1
 ASSI {  190}
   (( segid "    " and resid 13   and name HD22))
   (  segid "    " and resid 9    and name HD1%)
      4.800     2.900     1.200 peak   190 spectrum    1 weight  0.10000E+01 volume  0.11098E-03 ppm1      7.430 ppm2      0.850 CV     1
 ASSI {  193}
   (( segid "    " and resid 13   and name HD21))
   (( segid "    " and resid 9    and name HG  ))
      5.600     3.900     0.400 peak   193 spectrum    1 weight  0.10000E+01 volume  0.53398E-04 ppm1      6.862 ppm2      1.532 CV     1
 ASSI {  194}
   (( segid "    " and resid 13   and name HD21))
   (( segid "    " and resid 9    and name HB1 ))
      3.700     1.700     1.700 peak   194 spectrum    1 weight  0.10000E+01 volume  0.53459E-03 ppm1      6.859 ppm2      1.616 CV     1
 ASSI {  195}
   (( segid "    " and resid 21   and name HZ2 ))
   (  segid "    " and resid 19   and name HG1%)
      3.800     1.800     1.800 peak   195 spectrum    1 weight  0.10000E+01 volume  0.38009E-03 ppm1      7.427 ppm2      0.707 CV     1
 ASSI {  196}
   (( segid "    " and resid 21   and name HZ2 ))
   (  segid "    " and resid 19   and name HG2%)
      3.700     1.800     1.800 peak   196 spectrum    1 weight  0.10000E+01 volume  0.41300E-03 ppm1      7.425 ppm2      0.802 CV     1
 ASSI {  197}
   (( segid "    " and resid 13   and name HD22))
   (( segid "    " and resid 10   and name HG1 ))
      4.200     2.200     1.800 peak   197 spectrum    1 weight  0.10000E+01 volume  0.12432E-03 ppm1      7.429 ppm2      2.530 CV     1
 OR {  197}
   (( segid "    " and resid 13   and name HD22))
   (( segid "    " and resid 10   and name HG2 ))
 ASSI {  199}
   (( segid "    " and resid 23   and name HD22))
   (( segid "    " and resid 23   and name HB1 ))
      4.400     2.400     1.600 peak   199 spectrum    1 weight  0.10000E+01 volume  0.45210E-03 ppm1      7.551 ppm2      2.621 CV     1
 ASSI {  200}
   (( segid "    " and resid 23   and name HD21))
   (( segid "    " and resid 23   and name HB1 ))
      4.200     2.200     1.800 peak   200 spectrum    1 weight  0.10000E+01 volume  0.36427E-03 ppm1      6.895 ppm2      2.632 CV     1
 ASSI {  201}
   (( segid "    " and resid 23   and name HD21))
   (( segid "    " and resid 23   and name HB2 ))
      4.400     2.400     1.600 peak   201 spectrum    1 weight  0.10000E+01 volume  0.11213E-03 ppm1      6.890 ppm2      2.773 CV     1
 ASSI {  202}
   (( segid "    " and resid 23   and name HD21))
   (  segid "    " and resid 22   and name HG1%)
      3.800     1.800     1.800 peak   202 spectrum    1 weight  0.10000E+01 volume  0.22753E-03 ppm1      6.890 ppm2      0.801 CV     1
 OR {  202}
   (( segid "    " and resid 23   and name HD21))
   (  segid "    " and resid 22   and name HG2%)
 ASSI {  203}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 14   and name HA  ))
      2.700     2.700     3.300 peak   203 spectrum    1 weight  0.10000E+01 volume  0.44381E-02 ppm1      7.309 ppm2      4.374 CV     1
 ASSI {  204}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 15   and name HA  ))
      3.400     1.500     1.500 peak   204 spectrum    1 weight  0.10000E+01 volume  0.82749E-03 ppm1      7.309 ppm2      4.632 CV     1
 ASSI {  205}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 3    and name HA  ))
      3.000     1.200     1.200 peak   205 spectrum    1 weight  0.10000E+01 volume  0.80770E-03 ppm1      7.310 ppm2      4.897 CV     1
 ASSI {  206}
   (( segid "    " and resid 14   and name HZ  ))
   (( segid "    " and resid 3    and name HA  ))
      3.800     1.800     1.800 peak   206 spectrum    1 weight  0.10000E+01 volume  0.36687E-03 ppm1      7.382 ppm2      4.896 CV     1
 ASSI {  207}
   (( segid "    " and resid 14   and name HZ  ))
   (( segid "    " and resid 15   and name HA  ))
      5.100     3.300     0.900 peak   207 spectrum    1 weight  0.10000E+01 volume  0.10868E-03 ppm1      7.378 ppm2      4.630 CV     1
 ASSI {  209}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 11   and name HA  ))
      2.700     0.900     0.900 peak   209 spectrum    1 weight  0.10000E+01 volume  0.13470E-02 ppm1      7.308 ppm2      4.586 CV     1
 ASSI {  210}
   (( segid "    " and resid 14   and name HZ  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.400     3.400     2.600 peak   210 spectrum    1 weight  0.10000E+01 volume  0.12852E-02 ppm1      7.381 ppm2      3.159 CV     1
 ASSI {  211}
   (( segid "    " and resid 14   and name HZ  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.400     3.400     2.600 peak   211 spectrum    1 weight  0.10000E+01 volume  0.12066E-02 ppm1      7.381 ppm2      3.210 CV     1
 ASSI {  212}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
      2.800     2.800     3.200 peak   212 spectrum    1 weight  0.10000E+01 volume  0.30327E-02 ppm1      7.311 ppm2      3.210 CV     1
 ASSI {  213}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 14   and name HB1 ))
      2.500     2.500     3.500 peak   213 spectrum    1 weight  0.10000E+01 volume  0.65667E-02 ppm1      7.311 ppm2      3.159 CV     1
 ASSI {  214}
   (( segid "    " and resid 14   and name HZ  ))
   (( segid "    " and resid 3    and name HB1 ))
      4.500     2.500     1.500 peak   214 spectrum    1 weight  0.10000E+01 volume  0.18159E-03 ppm1      7.383 ppm2      2.927 CV     1
 ASSI {  215}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 3    and name HB1 ))
      3.200     1.300     1.300 peak   215 spectrum    1 weight  0.10000E+01 volume  0.45113E-03 ppm1      7.306 ppm2      2.933 CV     1
 ASSI {  216}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 3    and name HB2 ))
      3.900     1.900     1.900 peak   216 spectrum    1 weight  0.10000E+01 volume  0.53586E-03 ppm1      7.305 ppm2      3.373 CV     1
 ASSI {  225}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 14   and name HB2 ))
      2.800     0.900     0.900 peak   225 spectrum    1 weight  0.10000E+01 volume  0.10189E-02 ppm1      7.274 ppm2      3.203 CV     1
 ASSI {  229}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HB1 ))
      2.400     0.700     0.700 peak   229 spectrum    1 weight  0.10000E+01 volume  0.43621E-02 ppm1      7.163 ppm2      3.137 CV     1
 ASSI {  230}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HB2 ))
      3.600     1.600     1.600 peak   230 spectrum    1 weight  0.10000E+01 volume  0.16624E-02 ppm1      7.164 ppm2      3.219 CV     1
 ASSI {  231}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 21   and name HA  ))
      3.400     1.500     1.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.18645E-02 ppm1      7.567 ppm2      4.657 CV     1
 ASSI {  233}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 22   and name HA  ))
      4.300     2.300     1.700 peak   233 spectrum    1 weight  0.10000E+01 volume  0.20862E-03 ppm1      7.566 ppm2      3.962 CV     1
 ASSI {  235}
   (( segid "    " and resid 21   and name HE3 ))
   (  segid "    " and resid 19   and name HG2%)
      3.400     1.500     1.500 peak   235 spectrum    1 weight  0.10000E+01 volume  0.73129E-03 ppm1      7.566 ppm2      0.804 CV     1
 ASSI {  236}
   (( segid "    " and resid 21   and name HE3 ))
   (  segid "    " and resid 19   and name HG1%)
      4.100     2.100     1.900 peak   236 spectrum    1 weight  0.10000E+01 volume  0.26699E-03 ppm1      7.567 ppm2      0.708 CV     1
 ASSI {  237}
   (( segid "    " and resid 21   and name HD1 ))
   (  segid "    " and resid 19   and name HG1%)
      3.700     1.700     1.700 peak   237 spectrum    1 weight  0.10000E+01 volume  0.61659E-03 ppm1      7.163 ppm2      0.707 CV     1
 ASSI {  238}
   (( segid "    " and resid 21   and name HD1 ))
   (  segid "    " and resid 19   and name HG2%)
      3.600     1.600     1.600 peak   238 spectrum    1 weight  0.10000E+01 volume  0.78900E-03 ppm1      7.164 ppm2      0.798 CV     1
 ASSI {  239}
   (( segid "    " and resid 21   and name HE1 ))
   (( segid "    " and resid 21   and name HD1 ))
      2.700     0.900     0.900 peak   239 spectrum    1 weight  0.10000E+01 volume  0.33965E-02 ppm1     10.037 ppm2      7.163 CV     1
 ASSI {  241}
   (( segid "    " and resid 21   and name HZ2 ))
   (( segid "    " and resid 21   and name HE1 ))
      2.900     1.000     1.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.23650E-02 ppm1      7.433 ppm2     10.036 CV     1
 ASSI {  243}
   (( segid "    " and resid 14   and name HZ  ))
   (( segid "    " and resid 2    and name HN  ))
      3.700     1.700     1.700 peak   243 spectrum    1 weight  0.10000E+01 volume  0.45755E-03 ppm1      7.381 ppm2      8.944 CV     1
 ASSI {  244}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 2    and name HN  ))
      3.500     1.500     1.500 peak   244 spectrum    1 weight  0.10000E+01 volume  0.43010E-03 ppm1      7.307 ppm2      8.944 CV     1
 ASSI {  250}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.800     1.000     1.000 peak   250 spectrum    1 weight  0.10000E+01 volume  0.22138E-02 ppm1      8.332 ppm2      8.807 CV     1
 ASSI {  253}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.300     1.400     1.400 peak   253 spectrum    1 weight  0.10000E+01 volume  0.18239E-02 ppm1      8.060 ppm2      8.727 CV     1
 ASSI {  254}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.400     0.700     0.700 peak   254 spectrum    1 weight  0.10000E+01 volume  0.48375E-02 ppm1      8.204 ppm2      8.508 CV     1
 ASSI {  255}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak   255 spectrum    1 weight  0.10000E+01 volume  0.31104E-02 ppm1      7.759 ppm2      8.507 CV     1
 ASSI {  259}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      2.400     0.700     0.700 peak   259 spectrum    1 weight  0.10000E+01 volume  0.47483E-02 ppm1      7.818 ppm2      8.409 CV     1
 ASSI {  268}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HN  ))
      2.600     0.800     0.800 peak   268 spectrum    1 weight  0.10000E+01 volume  0.30732E-02 ppm1      7.758 ppm2      8.332 CV     1
 ASSI {  270}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      3.100     1.200     1.200 peak   270 spectrum    1 weight  0.10000E+01 volume  0.18297E-02 ppm1      7.799 ppm2      8.309 CV     1
 ASSI {  273}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.800     1.000     1.000 peak   273 spectrum    1 weight  0.10000E+01 volume  0.19894E-02 ppm1      8.034 ppm2      8.231 CV     1
 ASSI {  276}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 21   and name HN  ))
      3.200     1.300     1.300 peak   276 spectrum    1 weight  0.10000E+01 volume  0.12362E-02 ppm1      7.562 ppm2      8.222 CV     1
 ASSI {  277}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 21   and name HN  ))
      2.900     1.100     1.100 peak   277 spectrum    1 weight  0.10000E+01 volume  0.19205E-02 ppm1      7.163 ppm2      8.230 CV     1
 ASSI {  280}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      2.600     0.800     0.800 peak   280 spectrum    1 weight  0.10000E+01 volume  0.30313E-02 ppm1      8.205 ppm2      7.818 CV     1
 ASSI {  281}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      4.200     2.200     1.800 peak   281 spectrum    1 weight  0.10000E+01 volume  0.37912E-03 ppm1      8.179 ppm2      7.904 CV     1
 ASSI {  283}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HN  ))
      3.700     1.700     1.700 peak   283 spectrum    1 weight  0.10000E+01 volume  0.10558E-02 ppm1      8.025 ppm2      7.901 CV     1
 ASSI {  284}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.500     0.800     0.800 peak   284 spectrum    1 weight  0.10000E+01 volume  0.39505E-02 ppm1      7.848 ppm2      7.969 CV     1
 ASSI {  286}
   (( segid "    " and resid 13   and name HD22))
   (( segid "    " and resid 13   and name HN  ))
      4.000     2.000     2.000 peak   286 spectrum    1 weight  0.10000E+01 volume  0.57786E-03 ppm1      7.427 ppm2      7.822 CV     1
 ASSI {  287}
   (( segid "    " and resid 13   and name HD21))
   (( segid "    " and resid 13   and name HN  ))
      4.800     2.900     1.200 peak   287 spectrum    1 weight  0.10000E+01 volume  0.14880E-03 ppm1      6.855 ppm2      7.819 CV     1
 ASSI {  294}
   (( segid "    " and resid 21   and name HZ3 ))
   (( segid "    " and resid 21   and name HE3 ))
      2.200     0.600     0.600 peak   294 spectrum    1 weight  0.10000E+01 volume  0.10404E-01 ppm1      7.085 ppm2      7.562 CV     1
 ASSI {  295}
   (( segid "    " and resid 21   and name HZ3 ))
   (( segid "    " and resid 21   and name HH2 ))
      2.300     0.600     0.600 peak   295 spectrum    1 weight  0.10000E+01 volume  0.92964E-02 ppm1      7.100 ppm2      7.174 CV     1
 ASSI {  299}
   (( segid "    " and resid 21   and name HD1 ))
   (( segid "    " and resid 22   and name HN  ))
      2.900     2.900     3.100 peak   299 spectrum    1 weight  0.10000E+01 volume  0.10883E-02 ppm1      7.160 ppm2      7.795 CV     1
 ASSI {  302}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      2.300     0.600     0.600 peak   302 spectrum    1 weight  0.10000E+01 volume  0.81756E-02 ppm1      4.238 ppm2      4.471 CV     1
 ASSI {  305}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB1 ))
      2.600     0.900     0.900 peak   305 spectrum    1 weight  0.10000E+01 volume  0.45136E-02 ppm1      4.471 ppm2      3.975 CV     1
 ASSI {  312}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 3    and name HA  ))
      3.900     1.900     1.900 peak   312 spectrum    1 weight  0.10000E+01 volume  0.83959E-03 ppm1      4.102 ppm2      4.898 CV     1
 ASSI {  313}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
      2.700     0.900     0.900 peak   313 spectrum    1 weight  0.10000E+01 volume  0.42805E-02 ppm1      3.376 ppm2      4.898 CV     1
 ASSI {  315}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
      3.700     1.700     1.700 peak   315 spectrum    1 weight  0.10000E+01 volume  0.96980E-03 ppm1      3.116 ppm2      4.898 CV     1
 OR {  315}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
 ASSI {  316}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.200     0.600     0.600 peak   316 spectrum    1 weight  0.10000E+01 volume  0.96935E-02 ppm1      3.312 ppm2      4.630 CV     1
 OR {  316}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
 ASSI {  318}
   (( segid "    " and resid 10   and name HG1 ))
   (( segid "    " and resid 10   and name HA  ))
      2.300     0.600     0.600 peak   318 spectrum    1 weight  0.10000E+01 volume  0.88814E-02 ppm1      2.537 ppm2      4.071 CV     1
 OR {  318}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  320}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.800     0.800 peak   320 spectrum    1 weight  0.10000E+01 volume  0.39898E-02 ppm1      2.321 ppm2      4.637 CV     1
 ASSI {  321}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HA  ))
      3.000     1.100     1.100 peak   321 spectrum    1 weight  0.10000E+01 volume  0.27023E-02 ppm1      2.441 ppm2      4.638 CV     1
 ASSI {  322}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      2.800     1.000     1.000 peak   322 spectrum    1 weight  0.10000E+01 volume  0.24013E-02 ppm1      3.309 ppm2      4.096 CV     1
 OR {  322}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 12   and name HA  ))
 ASSI {  323}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.200     0.600     0.600 peak   323 spectrum    1 weight  0.10000E+01 volume  0.99151E-02 ppm1      2.749 ppm2      4.468 CV     1
 OR {  323}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  325}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.300     0.700     0.700 peak   325 spectrum    1 weight  0.10000E+01 volume  0.74301E-02 ppm1      3.117 ppm2      4.384 CV     1
 OR {  325}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
 ASSI {  328}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      3.000     1.200     1.200 peak   328 spectrum    1 weight  0.10000E+01 volume  0.16789E-02 ppm1      3.311 ppm2      4.469 CV     1
 OR {  328}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
 ASSI {  329}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HA  ))
      2.200     0.600     0.600 peak   329 spectrum    1 weight  0.10000E+01 volume  0.88161E-02 ppm1      3.329 ppm2      4.183 CV     1
 ASSI {  330}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.800     0.900     0.900 peak   330 spectrum    1 weight  0.10000E+01 volume  0.32902E-02 ppm1      2.880 ppm2      4.384 CV     1
 ASSI {  331}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      2.700     0.900     0.900 peak   331 spectrum    1 weight  0.10000E+01 volume  0.27955E-02 ppm1      2.835 ppm2      4.379 CV     1
 ASSI {  332}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
      2.700     0.900     0.900 peak   332 spectrum    1 weight  0.10000E+01 volume  0.49230E-02 ppm1      3.157 ppm2      4.372 CV     1
 ASSI {  334}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak   334 spectrum    1 weight  0.10000E+01 volume  0.26692E-02 ppm1      2.626 ppm2      4.511 CV     1
 ASSI {  337}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HA  ))
      2.600     0.800     0.800 peak   337 spectrum    1 weight  0.10000E+01 volume  0.39247E-02 ppm1      1.774 ppm2      4.637 CV     1
 ASSI {  338}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.300     0.700     0.700 peak   338 spectrum    1 weight  0.10000E+01 volume  0.73206E-02 ppm1      2.068 ppm2      4.636 CV     1
 ASSI {  339}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      2.300     0.700     0.700 peak   339 spectrum    1 weight  0.10000E+01 volume  0.95705E-02 ppm1      2.083 ppm2      4.071 CV     1
 ASSI {  340}
   (( segid "    " and resid 9    and name HG  ))
   (( segid "    " and resid 9    and name HA  ))
      2.400     0.700     0.700 peak   340 spectrum    1 weight  0.10000E+01 volume  0.53188E-02 ppm1      1.544 ppm2      4.048 CV     1
 ASSI {  342}
   (( segid "    " and resid 20   and name HB  ))
   (( segid "    " and resid 20   and name HA  ))
      2.400     0.700     0.700 peak   342 spectrum    1 weight  0.10000E+01 volume  0.52442E-02 ppm1      1.765 ppm2      4.112 CV     1
 ASSI {  343}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
      2.800     0.900     0.900 peak   343 spectrum    1 weight  0.10000E+01 volume  0.22251E-02 ppm1      1.731 ppm2      4.267 CV     1
 ASSI {  346}
   (( segid "    " and resid 19   and name HB  ))
   (( segid "    " and resid 19   and name HA  ))
      2.500     0.800     0.800 peak   346 spectrum    1 weight  0.10000E+01 volume  0.43828E-02 ppm1      1.933 ppm2      4.027 CV     1
 ASSI {  349}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HA  ))
      2.400     0.700     0.700 peak   349 spectrum    1 weight  0.10000E+01 volume  0.73430E-02 ppm1      1.137 ppm2      4.103 CV     1
 ASSI {  352}
   (  segid "    " and resid 9    and name HD2%)
   (( segid "    " and resid 9    and name HA  ))
      3.000     1.100     1.100 peak   352 spectrum    1 weight  0.10000E+01 volume  0.48157E-02 ppm1      0.905 ppm2      4.048 CV     1
 ASSI {  353}
   (  segid "    " and resid 9    and name HD1%)
   (( segid "    " and resid 9    and name HA  ))
      2.400     0.700     0.700 peak   353 spectrum    1 weight  0.10000E+01 volume  0.44493E-02 ppm1      0.851 ppm2      4.047 CV     1
 ASSI {  354}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 22   and name HA  ))
      2.600     0.800     0.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.41018E-02 ppm1      0.806 ppm2      3.960 CV     1
 OR {  354}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 22   and name HA  ))
 ASSI {  355}
   (  segid "    " and resid 19   and name HG2%)
   (( segid "    " and resid 19   and name HA  ))
      2.600     0.900     0.900 peak   355 spectrum    1 weight  0.10000E+01 volume  0.37797E-02 ppm1      0.807 ppm2      4.028 CV     1
 ASSI {  356}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 19   and name HA  ))
      2.300     0.700     0.700 peak   356 spectrum    1 weight  0.10000E+01 volume  0.64143E-02 ppm1      0.711 ppm2      4.028 CV     1
 ASSI {  360}
   (( segid "    " and resid 17   and name HG2 ))
   (( segid "    " and resid 17   and name HA  ))
      2.800     1.000     1.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.33597E-02 ppm1      1.336 ppm2      4.269 CV     1
 OR {  360}
   (( segid "    " and resid 17   and name HG1 ))
   (( segid "    " and resid 17   and name HA  ))
 ASSI {  364}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.000     1.100     1.100 peak   364 spectrum    1 weight  0.10000E+01 volume  0.22286E-02 ppm1      4.100 ppm2      3.114 CV     1
 OR {  364}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  367}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB1 ))
      2.500     0.800     0.800 peak   367 spectrum    1 weight  0.10000E+01 volume  0.50490E-02 ppm1      4.185 ppm2      3.071 CV     1
 ASSI {  368}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.300     0.600     0.600 peak   368 spectrum    1 weight  0.10000E+01 volume  0.66180E-02 ppm1      4.383 ppm2      3.216 CV     1
 ASSI {  370}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.000     3.000     3.000 peak   370 spectrum    1 weight  0.10000E+01 volume  0.34988E-02 ppm1      4.383 ppm2      3.115 CV     1
 ASSI {  371}
   (( segid "    " and resid 23   and name HA  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.400     0.700     0.700 peak   371 spectrum    1 weight  0.10000E+01 volume  0.69920E-02 ppm1      4.502 ppm2      2.770 CV     1
 ASSI {  373}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HB2 ))
      1.900     0.400     0.400 peak   373 spectrum    1 weight  0.10000E+01 volume  0.12938E-01 ppm1      2.942 ppm2      3.372 CV     1
 ASSI {  375}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HB1 ))
      2.000     0.500     0.500 peak   375 spectrum    1 weight  0.10000E+01 volume  0.95763E-02 ppm1      3.324 ppm2      3.074 CV     1
 ASSI {  379}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 18   and name HB1 ))
      1.900     0.500     0.500 peak   379 spectrum    1 weight  0.10000E+01 volume  0.14059E-01 ppm1      2.870 ppm2      2.744 CV     1
 ASSI {  380}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB1 ))
      1.800     0.400     0.400 peak   380 spectrum    1 weight  0.10000E+01 volume  0.18075E-01 ppm1      2.767 ppm2      2.619 CV     1
 ASSI {  385}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 20   and name HG2%)
      2.400     0.700     0.700 peak   385 spectrum    1 weight  0.10000E+01 volume  0.83204E-02 ppm1      4.111 ppm2      0.773 CV     1
 ASSI {  392}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG12))
      3.300     1.400     1.400 peak   392 spectrum    1 weight  0.10000E+01 volume  0.24432E-02 ppm1      4.110 ppm2      1.359 CV     1
 ASSI {  400}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB2 ))
      2.400     0.700     0.700 peak   400 spectrum    1 weight  0.10000E+01 volume  0.78022E-02 ppm1      4.280 ppm2      1.810 CV     1
 ASSI {  401}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HB2 ))
      2.300     0.700     0.700 peak   401 spectrum    1 weight  0.10000E+01 volume  0.90332E-02 ppm1      4.262 ppm2      1.781 CV     1
 ASSI {  408}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 3    and name HB1 ))
      3.600     3.600     2.400 peak   408 spectrum    1 weight  0.10000E+01 volume  0.47210E-03 ppm1      1.774 ppm2      2.941 CV     1
 ASSI {  418}
   (( segid "    " and resid 14   and name HB1 ))
   (  segid "    " and resid 6    and name HE% )
      3.200     1.300     1.300 peak   418 spectrum    1 weight  0.10000E+01 volume  0.79463E-03 ppm1      3.164 ppm2      1.689 CV     1
 ASSI {  419}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HB1 ))
      1.800     0.400     0.400 peak   419 spectrum    1 weight  0.10000E+01 volume  0.13903E-01 ppm1      2.067 ppm2      1.766 CV     1
 ASSI {  428}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HB1 ))
      2.200     0.600     0.600 peak   428 spectrum    1 weight  0.10000E+01 volume  0.66372E-02 ppm1      2.622 ppm2      2.075 CV     1
 ASSI {  429}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 6    and name HG1 ))
      2.000     0.500     0.500 peak   429 spectrum    1 weight  0.10000E+01 volume  0.78957E-02 ppm1      2.432 ppm2      2.319 CV     1
 ASSI {  433}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 19   and name HG2%)
      3.000     1.100     1.100 peak   433 spectrum    1 weight  0.10000E+01 volume  0.14863E-02 ppm1      3.309 ppm2      0.803 CV     1
 OR {  433}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 19   and name HG2%)
 ASSI {  439}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 19   and name HG1%)
      4.400     2.400     1.600 peak   439 spectrum    1 weight  0.10000E+01 volume  0.20965E-03 ppm1      2.750 ppm2      0.705 CV     1
 ASSI {  441}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 19   and name HG1%)
      3.800     1.800     1.800 peak   441 spectrum    1 weight  0.10000E+01 volume  0.53204E-03 ppm1      3.130 ppm2      0.710 CV     1
 ASSI {  443}
   (( segid "    " and resid 16   and name HB1 ))
   (  segid "    " and resid 19   and name HG1%)
      3.800     1.800     1.800 peak   443 spectrum    1 weight  0.10000E+01 volume  0.33021E-03 ppm1      3.302 ppm2      0.702 CV     1
 OR {  443}
   (( segid "    " and resid 16   and name HB2 ))
   (  segid "    " and resid 19   and name HG1%)
 ASSI {  446}
   (( segid "    " and resid 5    and name HB2 ))
   (  segid "    " and resid 4    and name HG2%)
      3.100     1.200     1.200 peak   446 spectrum    1 weight  0.10000E+01 volume  0.10333E-02 ppm1      3.078 ppm2      1.135 CV     1
 ASSI {  454}
   (( segid "    " and resid 19   and name HB  ))
   (  segid "    " and resid 19   and name HG1%)
      2.400     0.700     0.700 peak   454 spectrum    1 weight  0.10000E+01 volume  0.49570E-02 ppm1      1.918 ppm2      0.710 CV     1
 ASSI {  456}
   (( segid "    " and resid 20   and name HB  ))
   (  segid "    " and resid 20   and name HG2%)
      2.100     0.600     0.600 peak   456 spectrum    1 weight  0.10000E+01 volume  0.10534E-01 ppm1      1.746 ppm2      0.771 CV     1
 OR {  456}
   (( segid "    " and resid 20   and name HB  ))
   (  segid "    " and resid 20   and name HD1%)
 ASSI {  459}
   (( segid "    " and resid 20   and name HG12))
   (( segid "    " and resid 20   and name HG11))
      1.900     0.400     0.400 peak   459 spectrum    1 weight  0.10000E+01 volume  0.11176E-01 ppm1      1.350 ppm2      1.089 CV     1
 ASSI {  460}
   (  segid "    " and resid 20   and name HD1%)
   (( segid "    " and resid 20   and name HG12))
      2.300     0.600     0.600 peak   460 spectrum    1 weight  0.10000E+01 volume  0.62154E-02 ppm1      0.777 ppm2      1.359 CV     1
 OR {  460}
   (  segid "    " and resid 20   and name HG2%)
   (( segid "    " and resid 20   and name HG12))
 ASSI {  467}
   (  segid "    " and resid 22   and name HG2%)
   (( segid "    " and resid 21   and name HA  ))
      3.200     1.200     1.200 peak   467 spectrum    1 weight  0.10000E+01 volume  0.23617E-02 ppm1      0.806 ppm2      4.647 CV     1
 OR {  467}
   (  segid "    " and resid 22   and name HG1%)
   (( segid "    " and resid 21   and name HA  ))
 ASSI {  468}
   (  segid "    " and resid 19   and name HG1%)
   (( segid "    " and resid 18   and name HA  ))
      3.700     1.800     1.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.67781E-03 ppm1      0.712 ppm2      4.653 CV     1
 ASSI {  471}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 3    and name HB2 ))
      3.800     1.800     1.800 peak   471 spectrum    1 weight  0.10000E+01 volume  0.45579E-03 ppm1      2.067 ppm2      3.371 CV     1
 ASSI {  474}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HB1 ))
      2.500     0.800     0.800 peak   474 spectrum    1 weight  0.10000E+01 volume  0.47085E-02 ppm1      4.279 ppm2      1.668 CV     1
 ASSI {  475}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG1 ))
      4.100     2.100     1.900 peak   475 spectrum    1 weight  0.10000E+01 volume  0.32784E-03 ppm1      4.286 ppm2      1.545 CV     1
 OR {  475}
   (( segid "    " and resid 24   and name HA  ))
   (( segid "    " and resid 24   and name HG2 ))
 ASSI {  477}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 1    and name HA  ))
      3.800     1.800     1.800 peak   477 spectrum    1 weight  0.10000E+01 volume  0.49798E-03 ppm1      3.823 ppm2      4.177 CV     1
 ASSI {  478}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 18   and name HA  ))
      3.700     1.700     1.700 peak   478 spectrum    1 weight  0.10000E+01 volume  0.89967E-03 ppm1      4.027 ppm2      4.650 CV     1
 ASSI {  479}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 21   and name HA  ))
      4.100     2.100     1.900 peak   479 spectrum    1 weight  0.10000E+01 volume  0.44198E-03 ppm1      3.959 ppm2      4.652 CV     1
 ASSI {  488}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 3    and name HA  ))
      4.600     2.600     1.400 peak   488 spectrum    1 weight  0.10000E+01 volume  0.37785E-03 ppm1      1.139 ppm2      4.897 CV     1
 ASSI {  490}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.400     1.400     1.400 peak   490 spectrum    1 weight  0.10000E+01 volume  0.94585E-03 ppm1      7.849 ppm2      4.469 CV     1
 ASSI {  492}
   (( segid "    " and resid 21   and name HE1 ))
   (( segid "    " and resid 19   and name HB  ))
      5.500     3.800     0.500 peak   492 spectrum    1 weight  0.10000E+01 volume  0.56550E-04 ppm1     10.039 ppm2      1.921 CV     1
 ASSI {  493}
   (( segid "    " and resid 21   and name HE1 ))
   (( segid "    " and resid 21   and name HB2 ))
      6.000     4.600     0.000 peak   493 spectrum    1 weight  0.10000E+01 volume  0.52792E-04 ppm1     10.036 ppm2      3.211 CV     1
 ASSI {  500}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.900     1.100     1.100 peak   500 spectrum    1 weight  0.10000E+01 volume  0.18730E-02 ppm1      8.204 ppm2      4.584 CV     1
 ASSI {  501}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      2.400     0.700     0.700 peak   501 spectrum    1 weight  0.10000E+01 volume  0.50385E-02 ppm1      8.511 ppm2      3.113 CV     1
 OR {  501}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  504}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      4.800     2.900     1.200 peak   504 spectrum    1 weight  0.10000E+01 volume  0.24717E-03 ppm1      7.761 ppm2      3.110 CV     1
 OR {  504}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  506}
   (( segid "    " and resid 16   and name HD2 ))
   (  segid "    " and resid 19   and name HG2%)
      4.000     2.000     2.000 peak   506 spectrum    1 weight  0.10000E+01 volume  0.34742E-03 ppm1      7.200 ppm2      0.803 CV     1
 ASSI {  508}
   (( segid "    " and resid 13   and name HD22))
   (( segid "    " and resid 10   and name HB2 ))
      4.200     2.200     1.800 peak   508 spectrum    1 weight  0.10000E+01 volume  0.12080E-03 ppm1      7.428 ppm2      2.136 CV     1
 ASSI {  513}
   (( segid "    " and resid 21   and name HB2 ))
   (( segid "    " and resid 21   and name HA  ))
      2.800     1.000     1.000 peak   513 spectrum    1 weight  0.10000E+01 volume  0.28602E-02 ppm1      3.211 ppm2      4.661 CV     1
 ASSI {  515}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 11   and name HB1 ))
      3.700     1.700     1.700 peak   515 spectrum    1 weight  0.10000E+01 volume  0.68261E-03 ppm1      2.611 ppm2      3.115 CV     1
 OR {  515}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  518}
   (( segid "    " and resid 23   and name HB1 ))
   (  segid "    " and resid 22   and name HG2%)
      4.100     2.100     1.900 peak   518 spectrum    1 weight  0.10000E+01 volume  0.32227E-03 ppm1      2.628 ppm2      0.798 CV     1
 ASSI {  519}
   (( segid "    " and resid 13   and name HB1 ))
   (  segid "    " and resid 9    and name HD2%)
      4.300     2.300     1.700 peak   519 spectrum    1 weight  0.10000E+01 volume  0.35736E-03 ppm1      2.751 ppm2      0.903 CV     1
 OR {  519}
   (( segid "    " and resid 13   and name HB2 ))
   (  segid "    " and resid 9    and name HD2%)
 ASSI {  521}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      5.600     3.900     0.400 peak   521 spectrum    1 weight  0.10000E+01 volume  0.49640E-04 ppm1      8.507 ppm2      1.765 CV     1
 ASSI {  522}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      2.700     0.900     0.900 peak   522 spectrum    1 weight  0.10000E+01 volume  0.26993E-02 ppm1      8.232 ppm2      0.773 CV     1
 ASSI {  527}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 5    and name HB1 ))
      3.200     1.300     1.300 peak   527 spectrum    1 weight  0.10000E+01 volume  0.11769E-02 ppm1      1.137 ppm2      2.812 CV     1
 ASSI {  529}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.400     2.400     1.600 peak   529 spectrum    1 weight  0.10000E+01 volume  0.18522E-03 ppm1      7.822 ppm2      4.588 CV     1
 ASSI {  530}
   (  segid "    " and resid 14   and name HE% )
   (( segid "    " and resid 15   and name HB1 ))
      4.000     2.000     2.000 peak   530 spectrum    1 weight  0.10000E+01 volume  0.38870E-03 ppm1      7.306 ppm2      2.796 CV     1
 ASSI {  534}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 3    and name HA  ))
      2.900     1.100     1.100 peak   534 spectrum    1 weight  0.10000E+01 volume  0.17804E-02 ppm1      1.690 ppm2      4.897 CV     1
 ASSI {  535}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      4.400     2.400     1.600 peak   535 spectrum    1 weight  0.10000E+01 volume  0.25547E-03 ppm1      1.775 ppm2      4.902 CV     1
 ASSI {  536}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 3    and name HB2 ))
      3.700     1.700     1.700 peak   536 spectrum    1 weight  0.10000E+01 volume  0.75633E-03 ppm1      1.691 ppm2      3.376 CV     1
 ASSI {  537}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
      3.100     1.200     1.200 peak   537 spectrum    1 weight  0.10000E+01 volume  0.13721E-02 ppm1      1.691 ppm2      3.215 CV     1
 ASSI {  542}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 20   and name HG2%)
      4.300     2.300     1.700 peak   542 spectrum    1 weight  0.10000E+01 volume  0.53107E-03 ppm1      3.208 ppm2      0.771 CV     1
 ASSI {  543}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 20   and name HG2%)
      3.300     1.400     1.400 peak   543 spectrum    1 weight  0.10000E+01 volume  0.77350E-03 ppm1      3.133 ppm2      0.771 CV     1
 ASSI {  545}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 20   and name HD1%)
      3.600     3.600     2.400 peak   545 spectrum    1 weight  0.10000E+01 volume  0.51889E-03 ppm1      2.863 ppm2      0.773 CV     1
 OR {  545}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 20   and name HG2%)
 ASSI {  546}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 20   and name HD1%)
      4.200     2.200     1.800 peak   546 spectrum    1 weight  0.10000E+01 volume  0.23777E-03 ppm1      2.755 ppm2      0.773 CV     1
 OR {  546}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 20   and name HG2%)
 ASSI {    6}
   (( segid "    " and resid 5    and name HN  ))
   (  segid "    " and resid 4    and name HG2%)
      3.100     1.200     1.200 peak     6 spectrum    1 weight  0.10000E+01 volume  0.11571E-02 ppm1      8.754 ppm2      1.133 CV     1
 ASSI {    7}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB1 ))
      3.100     1.200     1.200 peak     7 spectrum    1 weight  0.10000E+01 volume  0.15994E-02 ppm1      8.752 ppm2      2.813 CV     1
 ASSI {    8}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.500     1.500     1.500 peak     8 spectrum    1 weight  0.10000E+01 volume  0.61764E-03 ppm1      8.756 ppm2      3.054 CV     1
 ASSI {    9}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak     9 spectrum    1 weight  0.10000E+01 volume  0.49761E-02 ppm1      8.755 ppm2      4.506 CV     1
 ASSI {   10}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.400     0.700     0.700 peak    10 spectrum    1 weight  0.10000E+01 volume  0.55953E-02 ppm1      8.755 ppm2      4.111 CV     1
 ASSI {   11}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB  ))
      3.800     1.800     1.800 peak    11 spectrum    1 weight  0.10000E+01 volume  0.66609E-03 ppm1      8.754 ppm2      3.979 CV     1
 ASSI {   12}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.600     0.800     0.800 peak    12 spectrum    1 weight  0.10000E+01 volume  0.40681E-02 ppm1      8.713 ppm2      4.465 CV     1
 ASSI {   13}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.000     1.100     1.100 peak    13 spectrum    1 weight  0.10000E+01 volume  0.15879E-02 ppm1      8.714 ppm2      4.400 CV     1
 ASSI {   14}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.000     1.100     1.100 peak    14 spectrum    1 weight  0.10000E+01 volume  0.17958E-02 ppm1      8.713 ppm2      4.214 CV     1
 ASSI {   15}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      3.200     1.300     1.300 peak    15 spectrum    1 weight  0.10000E+01 volume  0.20460E-02 ppm1      8.639 ppm2      3.816 CV     1
 OR {   15}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
 ASSI {   16}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.200     0.600     0.600 peak    16 spectrum    1 weight  0.10000E+01 volume  0.82704E-02 ppm1      8.638 ppm2      4.722 CV     1
 ASSI {   18}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.300     1.400     1.400 peak    18 spectrum    1 weight  0.10000E+01 volume  0.66583E-03 ppm1      8.715 ppm2      3.972 CV     1
 ASSI {   19}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      2.900     1.100     1.100 peak    19 spectrum    1 weight  0.10000E+01 volume  0.20193E-02 ppm1      8.712 ppm2      2.844 CV     1
 ASSI {   20}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.200     1.300     1.300 peak    20 spectrum    1 weight  0.10000E+01 volume  0.10698E-02 ppm1      8.712 ppm2      2.892 CV     1
 ASSI {   21}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      2.700     0.900     0.900 peak    21 spectrum    1 weight  0.10000E+01 volume  0.38662E-02 ppm1      8.638 ppm2      2.933 CV     1
 ASSI {   23}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
      3.700     1.700     1.700 peak    23 spectrum    1 weight  0.10000E+01 volume  0.54176E-03 ppm1      8.637 ppm2      3.109 CV     1
 OR {   23}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {   24}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.800     1.000     1.000 peak    24 spectrum    1 weight  0.10000E+01 volume  0.20125E-02 ppm1      8.428 ppm2      4.557 CV     1
 ASSI {   25}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.100     1.200     1.200 peak    25 spectrum    1 weight  0.10000E+01 volume  0.12856E-02 ppm1      8.425 ppm2      4.071 CV     1
 ASSI {   26}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.300     1.400     1.400 peak    26 spectrum    1 weight  0.10000E+01 volume  0.86489E-03 ppm1      8.428 ppm2      4.397 CV     1
 ASSI {   29}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.000     1.100     1.100 peak    29 spectrum    1 weight  0.10000E+01 volume  0.20557E-02 ppm1      8.368 ppm2      4.557 CV     1
 ASSI {   30}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.800     1.800     1.800 peak    30 spectrum    1 weight  0.10000E+01 volume  0.60963E-03 ppm1      8.369 ppm2      4.469 CV     1
 ASSI {   31}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      3.100     1.200     1.200 peak    31 spectrum    1 weight  0.10000E+01 volume  0.12716E-02 ppm1      8.372 ppm2      4.090 CV     1
 ASSI {   32}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      2.500     0.800     0.800 peak    32 spectrum    1 weight  0.10000E+01 volume  0.39057E-02 ppm1      8.348 ppm2      4.380 CV     1
 ASSI {   33}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.900     1.000     1.000 peak    33 spectrum    1 weight  0.10000E+01 volume  0.19660E-02 ppm1      8.347 ppm2      4.466 CV     1
 ASSI {   34}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      3.500     1.500     1.500 peak    34 spectrum    1 weight  0.10000E+01 volume  0.62099E-03 ppm1      8.344 ppm2      4.554 CV     1
 ASSI {   38}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.700     0.900     0.900 peak    38 spectrum    1 weight  0.10000E+01 volume  0.36624E-02 ppm1      8.261 ppm2      4.400 CV     1
 ASSI {   39}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak    39 spectrum    1 weight  0.10000E+01 volume  0.27343E-02 ppm1      8.262 ppm2      4.043 CV     1
 ASSI {   40}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.700     1.800     1.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.22178E-03 ppm1      8.260 ppm2      4.466 CV     1
 ASSI {   41}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.500     1.500     1.500 peak    41 spectrum    1 weight  0.10000E+01 volume  0.11422E-02 ppm1      8.260 ppm2      4.215 CV     1
 ASSI {   44}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HA  ))
      2.300     0.600     0.600 peak    44 spectrum    1 weight  0.10000E+01 volume  0.79431E-02 ppm1      8.245 ppm2      3.974 CV     1
 ASSI {   49}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.900     1.000     1.000 peak    49 spectrum    1 weight  0.10000E+01 volume  0.17754E-02 ppm1      8.155 ppm2      4.040 CV     1
 ASSI {   55}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      2.400     0.700     0.700 peak    55 spectrum    1 weight  0.10000E+01 volume  0.44952E-02 ppm1      8.131 ppm2      3.968 CV     1
 ASSI {   62}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.800     1.800     1.800 peak    62 spectrum    1 weight  0.10000E+01 volume  0.21775E-03 ppm1      8.034 ppm2      4.723 CV     1
 ASSI {   66}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      3.800     1.800     1.800 peak    66 spectrum    1 weight  0.10000E+01 volume  0.41488E-03 ppm1      7.926 ppm2      4.469 CV     1
 ASSI {   69}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak    69 spectrum    1 weight  0.10000E+01 volume  0.29480E-02 ppm1      7.871 ppm2      4.612 CV     1
 ASSI {   70}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.600     0.800     0.800 peak    70 spectrum    1 weight  0.10000E+01 volume  0.47778E-02 ppm1      7.874 ppm2      4.505 CV     1
 ASSI {   72}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 14   and name HA  ))
      4.200     2.200     1.800 peak    72 spectrum    1 weight  0.10000E+01 volume  0.31031E-03 ppm1      7.844 ppm2      4.378 CV     1
 ASSI {   74}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak    74 spectrum    1 weight  0.10000E+01 volume  0.15740E-02 ppm1      7.844 ppm2      4.092 CV     1
 ASSI {   82}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.37763E-02 ppm1      7.728 ppm2      4.067 CV     1
 ASSI {   85}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      4.000     2.000     2.000 peak    85 spectrum    1 weight  0.10000E+01 volume  0.43736E-03 ppm1      7.730 ppm2      4.211 CV     1
 ASSI {   86}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.700     0.900     0.900 peak    86 spectrum    1 weight  0.10000E+01 volume  0.16680E-02 ppm1      8.428 ppm2      2.071 CV     1
 ASSI {   87}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.500     1.500     1.500 peak    87 spectrum    1 weight  0.10000E+01 volume  0.15412E-02 ppm1      8.428 ppm2      2.131 CV     1
 ASSI {   90}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.200     0.600     0.600 peak    90 spectrum    1 weight  0.10000E+01 volume  0.71771E-02 ppm1      8.370 ppm2      2.826 CV     1
 ASSI {   92}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.400     0.700     0.700 peak    92 spectrum    1 weight  0.10000E+01 volume  0.44216E-02 ppm1      8.346 ppm2      3.187 CV     1
 OR {   92}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {   96}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HB2 ))
      2.900     1.000     1.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.18691E-02 ppm1      8.292 ppm2      2.858 CV     1
 ASSI {  102}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HB2 ))
      3.300     1.400     1.400 peak   102 spectrum    1 weight  0.10000E+01 volume  0.73071E-03 ppm1      8.243 ppm2      3.221 CV     1
 ASSI {  113}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      2.700     0.900     0.900 peak   113 spectrum    1 weight  0.10000E+01 volume  0.56493E-02 ppm1      8.131 ppm2      2.130 CV     1
 ASSI {  117}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.300     1.400     1.400 peak   117 spectrum    1 weight  0.10000E+01 volume  0.16218E-02 ppm1      8.034 ppm2      3.352 CV     1
 ASSI {  118}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      3.900     1.900     1.900 peak   118 spectrum    1 weight  0.10000E+01 volume  0.82377E-03 ppm1      8.036 ppm2      2.931 CV     1
 ASSI {  119}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      3.900     1.900     1.900 peak   119 spectrum    1 weight  0.10000E+01 volume  0.35120E-03 ppm1      8.034 ppm2      2.444 CV     1
 ASSI {  120}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      4.300     2.400     1.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.23894E-03 ppm1      8.032 ppm2      2.324 CV     1
 ASSI {  124}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      3.200     1.200     1.200 peak   124 spectrum    1 weight  0.10000E+01 volume  0.11119E-02 ppm1      7.872 ppm2      2.440 CV     1
 ASSI {  125}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HG1 ))
      3.500     1.500     1.500 peak   125 spectrum    1 weight  0.10000E+01 volume  0.80751E-03 ppm1      7.874 ppm2      2.328 CV     1
 ASSI {  126}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.100     1.200     1.200 peak   126 spectrum    1 weight  0.10000E+01 volume  0.10003E-02 ppm1      7.875 ppm2      2.061 CV     1
 ASSI {  128}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.900     1.000     1.000 peak   128 spectrum    1 weight  0.10000E+01 volume  0.12212E-02 ppm1      7.844 ppm2      2.834 CV     1
 ASSI {  131}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HB1 ))
      3.200     1.300     1.300 peak   131 spectrum    1 weight  0.10000E+01 volume  0.14988E-02 ppm1      7.828 ppm2      2.738 CV     1
 ASSI {  137}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      4.500     2.500     1.500 peak   137 spectrum    1 weight  0.10000E+01 volume  0.29915E-03 ppm1      7.793 ppm2      3.113 CV     1
 OR {  137}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  140}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HB1 ))
      3.700     1.700     1.700 peak   140 spectrum    1 weight  0.10000E+01 volume  0.10434E-02 ppm1      7.738 ppm2      3.120 CV     1
 ASSI {  141}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.400     0.700     0.700 peak   141 spectrum    1 weight  0.10000E+01 volume  0.45601E-02 ppm1      7.730 ppm2      2.076 CV     1
 ASSI {  143}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG1 ))
      3.500     1.500     1.500 peak   143 spectrum    1 weight  0.10000E+01 volume  0.17131E-02 ppm1      7.731 ppm2      2.523 CV     1
 OR {  143}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG2 ))
 ASSI {  150}
   (( segid "    " and resid 18   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      6.000     6.000     0.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.90966E-05 ppm1      8.290 ppm2      0.701 CV     1
 ASSI {  153}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.300     0.700     0.700 peak   153 spectrum    1 weight  0.10000E+01 volume  0.53914E-02 ppm1      8.261 ppm2      1.627 CV     1
 OR {  153}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  155}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      4.100     2.100     1.900 peak   155 spectrum    1 weight  0.10000E+01 volume  0.50274E-03 ppm1      8.259 ppm2      2.074 CV     1
 ASSI {  158}
   (( segid "    " and resid 23   and name HN  ))
   (  segid "    " and resid 22   and name HG2%)
      3.200     1.300     1.300 peak   158 spectrum    1 weight  0.10000E+01 volume  0.88411E-03 ppm1      8.246 ppm2      0.800 CV     1
 ASSI {  159}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      2.900     1.100     1.100 peak   159 spectrum    1 weight  0.10000E+01 volume  0.16071E-02 ppm1      8.129 ppm2      1.769 CV     1
 ASSI {  160}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 22   and name HG2%)
      3.900     1.900     1.900 peak   160 spectrum    1 weight  0.10000E+01 volume  0.36469E-03 ppm1      8.127 ppm2      0.800 CV     1
 OR {  160}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 22   and name HG1%)
 ASSI {  162}
   (( segid "    " and resid 21   and name HN  ))
   (  segid "    " and resid 19   and name HG1%)
      3.800     1.800     1.800 peak   162 spectrum    1 weight  0.10000E+01 volume  0.34081E-03 ppm1      8.128 ppm2      0.704 CV     1
 ASSI {  164}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 20   and name HG12))
      3.400     1.500     1.500 peak   164 spectrum    1 weight  0.10000E+01 volume  0.37895E-03 ppm1      8.122 ppm2      1.334 CV     1
 ASSI {  165}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      4.100     2.100     1.900 peak   165 spectrum    1 weight  0.10000E+01 volume  0.23393E-03 ppm1      8.130 ppm2      1.910 CV     1
 ASSI {  167}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB  ))
      3.100     1.200     1.200 peak   167 spectrum    1 weight  0.10000E+01 volume  0.15903E-02 ppm1      7.943 ppm2      1.914 CV     1
 ASSI {  179}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB1 ))
      2.600     0.800     0.800 peak   179 spectrum    1 weight  0.10000E+01 volume  0.38117E-02 ppm1      7.873 ppm2      1.769 CV     1
 ASSI {  181}
   (( segid "    " and resid 19   and name HN  ))
   (  segid "    " and resid 19   and name HG2%)
      2.500     0.800     0.800 peak   181 spectrum    1 weight  0.10000E+01 volume  0.31903E-02 ppm1      7.835 ppm2      0.792 CV     1
 ASSI {  183}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      4.300     2.300     1.700 peak   183 spectrum    1 weight  0.10000E+01 volume  0.10415E-03 ppm1      7.834 ppm2      1.338 CV     1
 ASSI {  184}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.700     3.700     2.300 peak   184 spectrum    1 weight  0.10000E+01 volume  0.25987E-03 ppm1      7.833 ppm2      1.722 CV     1
 ASSI {  185}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 9    and name HD1%)
      5.800     4.200     0.200 peak   185 spectrum    1 weight  0.10000E+01 volume  0.31425E-04 ppm1      7.794 ppm2      0.851 CV     1
 ASSI {  187}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 9    and name HG  ))
      5.600     4.000     0.400 peak   187 spectrum    1 weight  0.10000E+01 volume  0.33492E-04 ppm1      7.789 ppm2      1.531 CV     1
 ASSI {  188}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      5.400     3.700     0.600 peak   188 spectrum    1 weight  0.10000E+01 volume  0.38557E-04 ppm1      7.793 ppm2      1.616 CV     1
 OR {  188}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  191}
   (( segid "    " and resid 22   and name HN  ))
   (  segid "    " and resid 20   and name HG2%)
      3.400     1.400     1.400 peak   191 spectrum    1 weight  0.10000E+01 volume  0.41793E-03 ppm1      7.740 ppm2      0.760 CV     1
 ASSI {  193}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.000     1.100     1.100 peak   193 spectrum    1 weight  0.10000E+01 volume  0.11786E-02 ppm1      7.730 ppm2      1.627 CV     1
 OR {  193}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  194}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 9    and name HD2%)
      6.000     4.800     0.000 peak   194 spectrum    1 weight  0.10000E+01 volume  0.33130E-04 ppm1      7.730 ppm2      0.905 CV     1
 ASSI {  195}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 9    and name HD1%)
      6.000     5.000     0.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.39022E-04 ppm1      7.728 ppm2      0.851 CV     1
 ASSI {  205}
   (( segid "    " and resid 13   and name HD22))
   (( segid "    " and resid 9    and name HB1 ))
      4.400     2.400     1.600 peak   205 spectrum    1 weight  0.10000E+01 volume  0.21372E-03 ppm1      7.358 ppm2      1.623 CV     1
 ASSI {  206}
   (( segid "    " and resid 13   and name HD21))
   (  segid "    " and resid 9    and name HD1%)
      4.900     3.000     1.100 peak   206 spectrum    1 weight  0.10000E+01 volume  0.18555E-03 ppm1      6.806 ppm2      0.845 CV     1
 ASSI {  219}
   (( segid "    " and resid 14   and name HZ  ))
   (( segid "    " and resid 14   and name HB2 ))
      3.000     3.000     3.000 peak   219 spectrum    1 weight  0.10000E+01 volume  0.19512E-02 ppm1      7.371 ppm2      3.190 CV     1
 OR {  219}
   (( segid "    " and resid 14   and name HZ  ))
   (( segid "    " and resid 14   and name HB1 ))
 ASSI {  224}
   (  segid "    " and resid 14   and name HD% )
   (  segid "    " and resid 6    and name HE% )
      2.500     0.800     0.800 peak   224 spectrum    1 weight  0.10000E+01 volume  0.15457E-02 ppm1      7.298 ppm2      1.713 CV     1
 OR {  224}
   (  segid "    " and resid 14   and name HE% )
   (  segid "    " and resid 6    and name HE% )
 ASSI {  225}
   (( segid "    " and resid 14   and name HZ  ))
   (  segid "    " and resid 6    and name HE% )
      3.300     1.300     1.300 peak   225 spectrum    1 weight  0.10000E+01 volume  0.79847E-03 ppm1      7.372 ppm2      1.712 CV     1
 ASSI {  227}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 21   and name HB2 ))
      2.700     0.900     0.900 peak   227 spectrum    1 weight  0.10000E+01 volume  0.23377E-02 ppm1      7.570 ppm2      3.214 CV     1
 ASSI {  228}
   (( segid "    " and resid 21   and name HE3 ))
   (( segid "    " and resid 21   and name HB1 ))
      3.900     1.900     1.900 peak   228 spectrum    1 weight  0.10000E+01 volume  0.13623E-02 ppm1      7.564 ppm2      3.135 CV     1
 ASSI {  230}
   (( segid "    " and resid 21   and name HE3 ))
   (  segid "    " and resid 20   and name HG2%)
      4.000     2.000     2.000 peak   230 spectrum    1 weight  0.10000E+01 volume  0.14203E-03 ppm1      7.563 ppm2      0.757 CV     1
 ASSI {  234}
   (( segid "    " and resid 21   and name HD1 ))
   (  segid "    " and resid 20   and name HG2%)
      3.900     1.900     1.900 peak   234 spectrum    1 weight  0.10000E+01 volume  0.24390E-03 ppm1      7.163 ppm2      0.759 CV     1
 ASSI {  236}
   (( segid "    " and resid 21   and name HZ3 ))
   (  segid "    " and resid 19   and name HG2%)
      4.000     2.000     2.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.26447E-03 ppm1      7.094 ppm2      0.797 CV     1
 ASSI {  245}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.000     1.200     1.200 peak   245 spectrum    1 weight  0.10000E+01 volume  0.14416E-02 ppm1      8.037 ppm2      8.753 CV     1
 ASSI {  246}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      2.900     1.100     1.100 peak   246 spectrum    1 weight  0.10000E+01 volume  0.15819E-02 ppm1      7.872 ppm2      8.752 CV     1
 ASSI {  252}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      3.300     1.400     1.400 peak   252 spectrum    1 weight  0.10000E+01 volume  0.12148E-02 ppm1      8.638 ppm2      8.864 CV     1
 ASSI {  253}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.100     1.100 peak   253 spectrum    1 weight  0.10000E+01 volume  0.17779E-02 ppm1      8.135 ppm2      8.715 CV     1
 ASSI {  259}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.200     0.600     0.600 peak   259 spectrum    1 weight  0.10000E+01 volume  0.58705E-02 ppm1      7.845 ppm2      8.369 CV     1
 ASSI {  265}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.600     0.800     0.800 peak   265 spectrum    1 weight  0.10000E+01 volume  0.36304E-02 ppm1      7.927 ppm2      8.290 CV     1
 ASSI {  266}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HN  ))
      2.600     0.900     0.900 peak   266 spectrum    1 weight  0.10000E+01 volume  0.29293E-02 ppm1      7.836 ppm2      8.290 CV     1
 ASSI {  271}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.200     1.200 peak   271 spectrum    1 weight  0.10000E+01 volume  0.14546E-02 ppm1      7.927 ppm2      8.365 CV     1
 ASSI {  274}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.900     0.900 peak   274 spectrum    1 weight  0.10000E+01 volume  0.32000E-02 ppm1      7.735 ppm2      8.125 CV     1
 ASSI {  281}
   (( segid "    " and resid 23   and name HD21))
   (( segid "    " and resid 23   and name HD22))
      1.900     0.400     0.400 peak   281 spectrum    1 weight  0.10000E+01 volume  0.13582E-01 ppm1      6.836 ppm2      7.482 CV     1
 ASSI {  282}
   (( segid "    " and resid 13   and name HD21))
   (( segid "    " and resid 13   and name HD22))
      1.900     0.400     0.400 peak   282 spectrum    1 weight  0.10000E+01 volume  0.12776E-01 ppm1      6.806 ppm2      7.356 CV     1
 ASSI {  284}
   (( segid "    " and resid 25   and name HD22))
   (( segid "    " and resid 25   and name HD21))
      1.900     0.400     0.400 peak   284 spectrum    1 weight  0.10000E+01 volume  0.14119E-01 ppm1      7.478 ppm2      6.798 CV     1
 ASSI {  296}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 2    and name HA  ))
      2.500     0.800     0.800 peak   296 spectrum    1 weight  0.10000E+01 volume  0.44536E-02 ppm1      3.824 ppm2      4.722 CV     1
 OR {  296}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 2    and name HA  ))
 ASSI {  299}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HB1 ))
      1.800     0.400     0.400 peak   299 spectrum    1 weight  0.10000E+01 volume  0.14943E-01 ppm1      4.207 ppm2      3.967 CV     1
 ASSI {  301}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB  ))
      2.200     0.600     0.600 peak   301 spectrum    1 weight  0.10000E+01 volume  0.97345E-02 ppm1      4.110 ppm2      3.978 CV     1
 ASSI {  302}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 12   and name HA  ))
      2.900     1.000     1.000 peak   302 spectrum    1 weight  0.10000E+01 volume  0.13075E-02 ppm1      3.310 ppm2      4.093 CV     1
 ASSI {  305}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      2.500     0.800     0.800 peak   305 spectrum    1 weight  0.10000E+01 volume  0.36668E-02 ppm1      2.921 ppm2      4.882 CV     1
 ASSI {  316}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      2.700     0.900     0.900 peak   316 spectrum    1 weight  0.10000E+01 volume  0.29804E-02 ppm1      3.046 ppm2      4.502 CV     1
 ASSI {  320}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HA  ))
      2.600     0.800     0.800 peak   320 spectrum    1 weight  0.10000E+01 volume  0.36388E-02 ppm1      3.196 ppm2      4.379 CV     1
 OR {  320}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 14   and name HA  ))
 ASSI {  325}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      2.100     0.600     0.600 peak   325 spectrum    1 weight  0.10000E+01 volume  0.10677E-01 ppm1      3.116 ppm2      4.560 CV     1
 OR {  325}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
 ASSI {  327}
   (( segid "    " and resid 18   and name HB1 ))
   (( segid "    " and resid 17   and name HA  ))
      4.500     2.500     1.500 peak   327 spectrum    1 weight  0.10000E+01 volume  0.26628E-03 ppm1      2.751 ppm2      4.265 CV     1
 ASSI {  328}
   (( segid "    " and resid 18   and name HB2 ))
   (( segid "    " and resid 17   and name HA  ))
      4.300     2.300     1.700 peak   328 spectrum    1 weight  0.10000E+01 volume  0.18612E-03 ppm1      2.858 ppm2      4.262 CV     1
 ASSI {  339}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 4    and name HB  ))
      2.200     0.600     0.600 peak   339 spectrum    1 weight  0.10000E+01 volume  0.71361E-02 ppm1      1.131 ppm2      3.972 CV     1
 ASSI {  351}
   (( segid "    " and resid 12   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
      3.600     1.600     1.600 peak   351 spectrum    1 weight  0.10000E+01 volume  0.64732E-03 ppm1      2.076 ppm2      4.464 CV     1
 ASSI {  357}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.200     0.600     0.600 peak   357 spectrum    1 weight  0.10000E+01 volume  0.70810E-02 ppm1      4.074 ppm2      2.744 CV     1
 OR {  357}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
 ASSI {  358}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 15   and name HB1 ))
      2.900     1.000     1.000 peak   358 spectrum    1 weight  0.10000E+01 volume  0.17279E-02 ppm1      4.097 ppm2      2.822 CV     1
 ASSI {  359}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      2.800     1.000     1.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.17379E-02 ppm1      4.095 ppm2      2.610 CV     1
 ASSI {  364}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.600     1.600     1.600 peak   364 spectrum    1 weight  0.10000E+01 volume  0.11716E-02 ppm1      4.046 ppm2      2.621 CV     1
 ASSI {  369}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 15   and name HB2 ))
      1.900     0.500     0.500 peak   369 spectrum    1 weight  0.10000E+01 volume  0.10750E-01 ppm1      2.836 ppm2      3.135 CV     1
 ASSI {  371}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HB1 ))
      2.100     0.500     0.500 peak   371 spectrum    1 weight  0.10000E+01 volume  0.83882E-02 ppm1      3.048 ppm2      2.802 CV     1
 ASSI {  379}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 10   and name HG2 ))
      2.600     0.900     0.900 peak   379 spectrum    1 weight  0.10000E+01 volume  0.29746E-02 ppm1      2.333 ppm2      2.525 CV     1
 OR {  379}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 10   and name HG1 ))
 ASSI {  380}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 11   and name HB1 ))
      2.700     0.900     0.900 peak   380 spectrum    1 weight  0.10000E+01 volume  0.29670E-02 ppm1      2.536 ppm2      3.110 CV     1
 OR {  380}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 11   and name HB2 ))
 ASSI {  381}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 11   and name HB1 ))
      3.100     1.200     1.200 peak   381 spectrum    1 weight  0.10000E+01 volume  0.14299E-02 ppm1      2.619 ppm2      3.107 CV     1
 ASSI {  384}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HG1 ))
      2.400     0.700     0.700 peak   384 spectrum    1 weight  0.10000E+01 volume  0.64354E-02 ppm1      1.758 ppm2      2.325 CV     1
 ASSI {  385}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 6    and name HG2 ))
      2.500     0.800     0.800 peak   385 spectrum    1 weight  0.10000E+01 volume  0.32764E-02 ppm1      1.771 ppm2      2.442 CV     1
 ASSI {  386}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HG1 ))
      2.200     0.600     0.600 peak   386 spectrum    1 weight  0.10000E+01 volume  0.10599E-01 ppm1      2.125 ppm2      2.521 CV     1
 OR {  386}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HG2 ))
 ASSI {  387}
   (( segid "    " and resid 12   and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
      2.600     0.800     0.800 peak   387 spectrum    1 weight  0.10000E+01 volume  0.63758E-02 ppm1      2.132 ppm2      2.615 CV     1
 ASSI {  390}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 11   and name HB2 ))
      3.000     1.100     1.100 peak   390 spectrum    1 weight  0.10000E+01 volume  0.17166E-02 ppm1      1.778 ppm2      3.111 CV     1
 OR {  390}
   (( segid "    " and resid 6    and name HB1 ))
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  400}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HG11))
      2.700     0.900     0.900 peak   400 spectrum    1 weight  0.10000E+01 volume  0.22789E-02 ppm1      4.106 ppm2      1.076 CV     1
 ASSI {  403}
   (( segid "    " and resid 20   and name HA  ))
   (  segid "    " and resid 19   and name HG1%)
      4.100     2.100     1.900 peak   403 spectrum    1 weight  0.10000E+01 volume  0.23548E-03 ppm1      4.102 ppm2      0.702 CV     1
 ASSI {  408}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
      2.200     0.600     0.600 peak   408 spectrum    1 weight  0.10000E+01 volume  0.71047E-02 ppm1      4.042 ppm2      1.634 CV     1
 OR {  408}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI {  410}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HB  ))
      3.800     1.800     1.800 peak   410 spectrum    1 weight  0.10000E+01 volume  0.94437E-03 ppm1      4.021 ppm2      1.728 CV     1
 ASSI {  411}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.300     0.700     0.700 peak   411 spectrum    1 weight  0.10000E+01 volume  0.48051E-02 ppm1      4.091 ppm2      2.065 CV     1
 ASSI {  416}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 6    and name HB1 ))
      3.000     1.200     1.200 peak   416 spectrum    1 weight  0.10000E+01 volume  0.17089E-02 ppm1      3.352 ppm2      1.767 CV     1
 ASSI {  417}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 10   and name HB1 ))
      3.300     1.300     1.300 peak   417 spectrum    1 weight  0.10000E+01 volume  0.14685E-02 ppm1      3.114 ppm2      2.064 CV     1
 OR {  417}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 10   and name HB1 ))
 ASSI {  418}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 12   and name HB2 ))
      4.400     2.400     1.600 peak   418 spectrum    1 weight  0.10000E+01 volume  0.32831E-03 ppm1      3.110 ppm2      2.141 CV     1
 OR {  418}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  424}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HB1 ))
      2.400     0.700     0.700 peak   424 spectrum    1 weight  0.10000E+01 volume  0.85054E-02 ppm1      2.541 ppm2      2.070 CV     1
 ASSI {  425}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.100     0.600     0.600 peak   425 spectrum    1 weight  0.10000E+01 volume  0.70842E-02 ppm1      2.540 ppm2      2.146 CV     1
 ASSI {  430}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 22   and name HG2%)
      3.700     1.700     1.700 peak   430 spectrum    1 weight  0.10000E+01 volume  0.53319E-03 ppm1      3.203 ppm2      0.795 CV     1
 OR {  430}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 22   and name HG1%)
 ASSI {  431}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 22   and name HG2%)
      3.700     1.700     1.700 peak   431 spectrum    1 weight  0.10000E+01 volume  0.71963E-03 ppm1      3.131 ppm2      0.794 CV     1
 OR {  431}
   (( segid "    " and resid 21   and name HB1 ))
   (  segid "    " and resid 22   and name HG1%)
 ASSI {  433}
   (( segid "    " and resid 23   and name HB2 ))
   (  segid "    " and resid 22   and name HG2%)
      3.800     1.800     1.800 peak   433 spectrum    1 weight  0.10000E+01 volume  0.25904E-03 ppm1      2.751 ppm2      0.799 CV     1
 ASSI {  435}
   (( segid "    " and resid 18   and name HB1 ))
   (  segid "    " and resid 20   and name HD1%)
      4.700     2.800     1.300 peak   435 spectrum    1 weight  0.10000E+01 volume  0.91171E-04 ppm1      2.740 ppm2      0.756 CV     1
 ASSI {  439}
   (( segid "    " and resid 21   and name HB2 ))
   (  segid "    " and resid 19   and name HG1%)
      5.500     3.800     0.500 peak   439 spectrum    1 weight  0.10000E+01 volume  0.37626E-04 ppm1      3.204 ppm2      0.699 CV     1
 ASSI {  442}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 19   and name HG1%)
      5.600     3.900     0.400 peak   442 spectrum    1 weight  0.10000E+01 volume  0.40986E-04 ppm1      2.855 ppm2      0.704 CV     1
 ASSI {  443}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 19   and name HG2%)
      3.600     1.600     1.600 peak   443 spectrum    1 weight  0.10000E+01 volume  0.70894E-03 ppm1      2.869 ppm2      0.791 CV     1
 ASSI {  444}
   (( segid "    " and resid 18   and name HB2 ))
   (  segid "    " and resid 20   and name HD1%)
      3.800     3.800     2.200 peak   444 spectrum    1 weight  0.10000E+01 volume  0.29336E-03 ppm1      2.873 ppm2      0.758 CV     1
 ASSI {  448}
   (( segid "    " and resid 20   and name HB  ))
   (  segid "    " and resid 20   and name HG2%)
      2.200     0.600     0.600 peak   448 spectrum    1 weight  0.10000E+01 volume  0.66788E-02 ppm1      1.733 ppm2      0.756 CV     1
 ASSI {  463}
   (( segid "    " and resid 20   and name HG11))
   (  segid "    " and resid 20   and name HD1%)
      2.000     0.500     0.500 peak   463 spectrum    1 weight  0.10000E+01 volume  0.11984E-01 ppm1      1.074 ppm2      0.767 CV     1
 OR {  463}
   (( segid "    " and resid 20   and name HG11))
   (  segid "    " and resid 20   and name HG2%)
 ASSI {  464}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.600     2.600     3.400 peak   464 spectrum    1 weight  0.10000E+01 volume  0.66609E-02 ppm1      3.176 ppm2      4.560 CV     1
 OR {  464}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  466}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 3    and name HB1 ))
      3.100     1.200     1.200 peak   466 spectrum    1 weight  0.10000E+01 volume  0.13071E-02 ppm1      2.327 ppm2      2.928 CV     1
 ASSI {  467}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.500     2.500     3.500 peak   467 spectrum    1 weight  0.10000E+01 volume  0.46886E-02 ppm1      8.131 ppm2      2.056 CV     1
 ASSI {  468}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 6    and name HG2 ))
      6.000     4.500     0.000 peak   468 spectrum    1 weight  0.10000E+01 volume  0.20209E-04 ppm1      8.427 ppm2      2.437 CV     1
 ASSI {  470}
   (  segid "    " and resid 14   and name HD% )
   (( segid "    " and resid 15   and name HB1 ))
      3.800     1.800     1.800 peak   470 spectrum    1 weight  0.10000E+01 volume  0.28536E-03 ppm1      7.294 ppm2      2.827 CV     1
 ASSI {  471}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      4.300     2.300     1.700 peak   471 spectrum    1 weight  0.10000E+01 volume  0.28876E-03 ppm1      2.935 ppm2      4.103 CV     1
 ASSI {  473}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 6    and name HG2 ))
      2.700     0.900     0.900 peak   473 spectrum    1 weight  0.10000E+01 volume  0.32600E-02 ppm1      1.716 ppm2      2.442 CV     1
 ASSI {  474}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 6    and name HG1 ))
      2.500     0.800     0.800 peak   474 spectrum    1 weight  0.10000E+01 volume  0.28999E-02 ppm1      1.715 ppm2      2.327 CV     1
 ASSI {  475}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 6    and name HB2 ))
      2.400     0.700     0.700 peak   475 spectrum    1 weight  0.10000E+01 volume  0.36579E-02 ppm1      1.717 ppm2      2.056 CV     1
 ASSI {  477}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 2    and name HB2 ))
      4.700     2.700     1.300 peak   477 spectrum    1 weight  0.10000E+01 volume  0.60213E-04 ppm1      1.138 ppm2      3.822 CV     1
 OR {  477}
   (  segid "    " and resid 4    and name HG2%)
   (( segid "    " and resid 2    and name HB1 ))
 ASSI {  479}
   (( segid "    " and resid 6    and name HG2 ))
   (( segid "    " and resid 3    and name HA  ))
      4.900     3.000     1.100 peak   479 spectrum    1 weight  0.10000E+01 volume  0.83107E-04 ppm1      2.444 ppm2      4.877 CV     1
 ASSI {  480}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     4.700     0.000 peak   480 spectrum    1 weight  0.10000E+01 volume  0.31425E-04 ppm1      2.333 ppm2      4.885 CV     1
 ASSI {  482}
   (( segid "    " and resid 11   and name HB2 ))
   (( segid "    " and resid 6    and name HG1 ))
      3.000     1.100     1.100 peak   482 spectrum    1 weight  0.10000E+01 volume  0.19721E-02 ppm1      2.326 ppm2      3.098 CV     1
 OR {  482}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 6    and name HG1 ))
 ASSI {  484}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 14   and name HB1 ))
      2.700     0.900     0.900 peak   484 spectrum    1 weight  0.10000E+01 volume  0.24296E-02 ppm1      1.715 ppm2      3.186 CV     1
 OR {  484}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 14   and name HB2 ))
 ASSI {  485}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 11   and name HB2 ))
      3.500     1.500     1.500 peak   485 spectrum    1 weight  0.10000E+01 volume  0.86989E-03 ppm1      1.718 ppm2      3.115 CV     1
 OR {  485}
   (  segid "    " and resid 6    and name HE% )
   (( segid "    " and resid 11   and name HB1 ))
 ASSI {  502}
   (  segid "    " and resid 12   and name HE% )
   (( segid "    " and resid 9    and name HA  ))
      3.300     1.300     1.300 peak   502 spectrum    1 weight  0.10000E+01 volume  0.63629E-03 ppm1      2.001 ppm2      4.043 CV     1
 ASSI {  503}
   (  segid "    " and resid 12   and name HE% )
   (  segid "    " and resid 9    and name HD1%)
      3.300     1.400     1.400 peak   503 spectrum    1 weight  0.10000E+01 volume  0.52419E-03 ppm1      1.998 ppm2      0.857 CV     1
 ASSI {  504}
   (( segid "    " and resid 9    and name HG  ))
   (  segid "    " and resid 12   and name HE% )
      3.600     1.600     1.600 peak   504 spectrum    1 weight  0.10000E+01 volume  0.70516E-03 ppm1      1.540 ppm2      2.000 CV     1
 ASSI {  505}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 12   and name HE% )
      4.400     2.400     1.600 peak   505 spectrum    1 weight  0.10000E+01 volume  0.25429E-03 ppm1      1.617 ppm2      1.999 CV     1
 OR {  505}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 12   and name HE% )
 ASSI {  512}
   (( segid "    " and resid 6    and name HG1 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.300     0.600     0.600 peak   512 spectrum    1 weight  0.10000E+01 volume  0.61629E-02 ppm1      2.334 ppm2      2.065 CV     1
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   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   4.184   8.452  -4.986
    2    H2   CYS   1           HT2      CYS   1   2.620   8.031  -4.484
    3    H3   CYS   1           HT3      CYS   1   3.233   7.423  -5.940
    4    HA   CYS   1           HA       CYS   1   4.245   6.807  -3.229
    5    HB2  CYS   1           HB2      CYS   1   2.094   5.738  -3.736
    6    HB3  CYS   1           HB1      CYS   1   2.748   5.114  -5.247
    7    H    SER   2           HN       SER   2   6.382   6.563  -3.294
    8    HA   SER   2           HA       SER   2   7.548   5.252  -5.668
    9    HB2  SER   2           HB2      SER   2   8.806   7.476  -4.041
   10    HB3  SER   2           HB1      SER   2   9.521   6.680  -5.441
   11    HG   SER   2           HG       SER   2   8.522   8.706  -5.938
   12    H    CYS   3           HN       CYS   3   8.125   3.257  -4.999
   13    HA   CYS   3           HA       CYS   3   9.762   3.114  -2.565
   14    HB2  CYS   3           HB2      CYS   3   8.918   0.730  -2.383
   15    HB3  CYS   3           HB1      CYS   3   7.761   1.993  -1.998
   16    H    THR   4           HN       THR   4  11.690   3.274  -3.599
   17    HA   THR   4           HA       THR   4  12.441   0.958  -5.213
   18    HB   THR   4           HB       THR   4  12.142   2.823  -6.769
   19    HG1  THR   4           HG1      THR   4  14.301   2.752  -7.656
   20   HG21  THR   4          HG21      THR   4  13.607   4.777  -6.669
   21   HG22  THR   4          HG22      THR   4  14.291   4.187  -5.153
   22   HG23  THR   4          HG23      THR   4  12.596   4.663  -5.229
   23    H    ASP   5           HN       ASP   5  13.276   3.401  -2.993
   24    HA   ASP   5           HA       ASP   5  15.760   2.105  -2.198
   25    HB2  ASP   5           HB2      ASP   5  15.946   3.934  -0.595
   26    HB3  ASP   5           HB1      ASP   5  15.548   4.604  -2.174
   27    H    MET   6           HN       MET   6  13.228   0.761  -2.169
   28    HA   MET   6           HA       MET   6  12.804   0.139   0.630
   29    HB2  MET   6           HB2      MET   6  11.350   2.046   0.331
   30    HB3  MET   6           HB1      MET   6  10.726   1.393  -1.175
   31    HG2  MET   6           HG2      MET   6   9.608  -0.382   0.015
   32    HG3  MET   6           HG1      MET   6  10.315   0.169   1.526
   33    HE1  MET   6           HE1      MET   6   8.502   3.550   2.176
   34    HE2  MET   6           HE2      MET   6  10.076   3.312   1.413
   35    HE3  MET   6           HE3      MET   6   9.617   2.337   2.808
   36    H    SER   7           HN       SER   7  11.698  -1.872   0.903
   37    HA   SER   7           HA       SER   7  12.044  -3.662  -1.291
   38    HB2  SER   7           HB2      SER   7  11.374  -5.378   0.369
   39    HB3  SER   7           HB1      SER   7  12.664  -4.341   0.977
   40    HG   SER   7           HG       SER   7  11.389  -3.932   2.589
   41    H    ASP   8           HN       ASP   8  10.143  -5.453  -1.066
   42    HA   ASP   8           HA       ASP   8   7.931  -4.195  -2.411
   43    HB2  ASP   8           HB2      ASP   8   7.113  -6.466  -2.825
   44    HB3  ASP   8           HB1      ASP   8   8.819  -6.334  -3.238
   45    H    LEU   9           HN       LEU   9   8.362  -6.092   0.545
   46    HA   LEU   9           HA       LEU   9   5.677  -6.021   1.380
   47    HB2  LEU   9           HB2      LEU   9   7.361  -7.590   2.269
   48    HB3  LEU   9           HB1      LEU   9   8.178  -6.254   3.056
   49    HG   LEU   9           HG       LEU   9   6.174  -5.869   4.451
   50   HD11  LEU   9          HD11      LEU   9   4.397  -7.546   4.497
   51   HD12  LEU   9          HD12      LEU   9   5.142  -8.372   3.127
   52   HD13  LEU   9          HD13      LEU   9   4.491  -6.745   2.930
   53   HD21  LEU   9          HD21      LEU   9   7.958  -7.234   5.329
   54   HD22  LEU   9          HD22      LEU   9   7.307  -8.660   4.526
   55   HD23  LEU   9          HD23      LEU   9   6.405  -7.899   5.835
   56    H    GLU  10           HN       GLU  10   8.452  -3.959   2.154
   57    HA   GLU  10           HA       GLU  10   7.103  -2.294   3.980
   58    HB2  GLU  10           HB2      GLU  10   9.576  -2.470   3.745
   59    HB3  GLU  10           HB1      GLU  10   9.461  -1.580   2.235
   60    HG2  GLU  10           HG2      GLU  10  10.135  -0.093   3.979
   61    HG3  GLU  10           HG1      GLU  10   8.502   0.326   3.468
   62    H    CYS  11           HN       CYS  11   7.477  -2.165   0.480
   63    HA   CYS  11           HA       CYS  11   6.333   0.392   0.106
   64    HB2  CYS  11           HB2      CYS  11   7.604  -0.750  -1.665
   65    HB3  CYS  11           HB1      CYS  11   6.341  -1.975  -1.787
   66    H    MET  12           HN       MET  12   4.927  -2.878   0.035
   67    HA   MET  12           HA       MET  12   2.299  -2.082  -0.539
   68    HB2  MET  12           HB2      MET  12   3.265  -4.495   1.005
   69    HB3  MET  12           HB1      MET  12   1.621  -4.270   0.424
   70    HG2  MET  12           HG2      MET  12   2.571  -4.113  -1.895
   71    HG3  MET  12           HG1      MET  12   4.116  -4.610  -1.210
   72    HE1  MET  12           HE1      MET  12   4.507  -6.986  -0.020
   73    HE2  MET  12           HE2      MET  12   3.230  -8.184   0.193
   74    HE3  MET  12           HE3      MET  12   3.154  -6.651   1.061
   75    H    ASN  13           HN       ASN  13   4.091  -2.203   2.460
   76    HA   ASN  13           HA       ASN  13   1.966  -1.932   4.255
   77    HB2  ASN  13           HB2      ASN  13   4.833  -1.006   4.421
   78    HB3  ASN  13           HB1      ASN  13   3.694  -0.811   5.748
   79   HD21  ASN  13          HD21      ASN  13   6.153  -2.339   5.610
   80   HD22  ASN  13          HD22      ASN  13   5.722  -3.976   5.998
   81    H    PHE  14           HN       PHE  14   4.105   0.700   3.083
   82    HA   PHE  14           HA       PHE  14   2.398   2.640   4.332
   83    HB2  PHE  14           HB2      PHE  14   4.049   4.193   3.910
   84    HB3  PHE  14           HB1      PHE  14   4.994   2.711   3.875
   85    HD1  PHE  14           HD2      PHE  14   5.440   1.665   1.562
   86    HD2  PHE  14           HD1      PHE  14   4.081   5.658   2.124
   87    HE1  PHE  14           HE2      PHE  14   6.232   2.254  -0.692
   88    HE2  PHE  14           HE1      PHE  14   4.872   6.250  -0.126
   89    HZ   PHE  14           HZ       PHE  14   5.950   4.547  -1.540
   90    H    CYS  15           HN       CYS  15   2.595   1.262   1.161
   91    HA   CYS  15           HA       CYS  15   1.252   3.558  -0.048
   92    HB2  CYS  15           HB2      CYS  15   3.267   2.361  -1.057
   93    HB3  CYS  15           HB1      CYS  15   2.160   1.058  -1.456
   94    H    HIS  16           HN       HIS  16   0.517   0.408   1.126
   95    HA   HIS  16           HA       HIS  16  -2.084   0.517  -0.262
   96    HB2  HIS  16           HB2      HIS  16  -0.431  -1.869   0.575
   97    HB3  HIS  16           HB1      HIS  16  -2.140  -2.004   0.178
   98    HD1  HIS  16           HD1      HIS  16  -1.963  -3.331  -1.961
   99    HD2  HIS  16           HD2      HIS  16   0.456   0.057  -1.968
  100    HE1  HIS  16           HE1      HIS  16  -1.094  -3.119  -4.308
  101    HE2  HIS  16           HE2      HIS  16   0.301  -1.021  -4.317
  102    H    LYS  17           HN       LYS  17  -1.170   1.664   2.387
  103    HA   LYS  17           HA       LYS  17  -2.857   0.149   4.226
  104    HB2  LYS  17           HB2      LYS  17  -2.095   1.744   5.950
  105    HB3  LYS  17           HB1      LYS  17  -0.760   0.918   5.162
  106    HG2  LYS  17           HG2      LYS  17  -0.077   2.821   4.035
  107    HG3  LYS  17           HG1      LYS  17  -1.652   3.602   4.193
  108    HD2  LYS  17           HD2      LYS  17   0.128   3.006   6.547
  109    HD3  LYS  17           HD1      LYS  17   0.201   4.526   5.651
  110    HE2  LYS  17           HE2      LYS  17  -2.311   3.441   6.923
  111    HE3  LYS  17           HE1      LYS  17  -1.227   4.585   7.713
  112    HZ1  LYS  17           HZ1      LYS  17  -3.113   5.679   6.635
  113    HZ2  LYS  17           HZ2      LYS  17  -2.622   5.076   5.128
  114    HZ3  LYS  17           HZ3      LYS  17  -1.635   6.173   5.969
  115    H    ASP  18           HN       ASP  18  -3.591   2.013   1.898
  116    HA   ASP  18           HA       ASP  18  -5.827   3.231   3.343
  117    HB2  ASP  18           HB2      ASP  18  -4.150   4.578   1.227
  118    HB3  ASP  18           HB1      ASP  18  -5.682   5.182   1.815
  119    H    VAL  19           HN       VAL  19  -5.224   0.858   1.492
  120    HA   VAL  19           HA       VAL  19  -6.740   1.309  -0.867
  121    HB   VAL  19           HB       VAL  19  -6.913  -1.218  -0.937
  122   HG11  VAL  19          HG11      VAL  19  -4.530  -1.520  -1.463
  123   HG12  VAL  19          HG12      VAL  19  -4.177   0.027  -0.693
  124   HG13  VAL  19          HG13      VAL  19  -5.183  -0.029  -2.142
  125   HG21  VAL  19          HG21      VAL  19  -5.139  -0.974   1.489
  126   HG22  VAL  19          HG22      VAL  19  -5.432  -2.462   0.585
  127   HG23  VAL  19          HG23      VAL  19  -6.757  -1.671   1.440
  128    H    ILE  20           HN       ILE  20  -8.859   0.960  -1.293
  129    HA   ILE  20           HA       ILE  20 -10.537   1.031   1.095
  130    HB   ILE  20           HB       ILE  20 -10.541   2.669  -1.019
  131   HG12  ILE  20          HG12      ILE  20 -12.859   3.303  -0.352
  132   HG13  ILE  20          HG11      ILE  20 -12.958   1.814   0.583
  133   HG21  ILE  20          HG21      ILE  20 -11.165   0.970  -2.632
  134   HG22  ILE  20          HG22      ILE  20 -12.452   2.169  -2.480
  135   HG23  ILE  20          HG23      ILE  20 -12.617   0.593  -1.704
  136   HD11  ILE  20          HD11      ILE  20 -10.987   4.041   1.043
  137   HD12  ILE  20          HD12      ILE  20 -11.119   2.559   1.988
  138   HD13  ILE  20          HD13      ILE  20 -12.441   3.729   1.996
  139    H    TRP  21           HN       TRP  21  -9.610  -1.155  -1.301
  140    HA   TRP  21           HA       TRP  21 -12.145  -2.499  -1.521
  141    HB2  TRP  21           HB2      TRP  21 -10.817  -4.130  -2.939
  142    HB3  TRP  21           HB1      TRP  21 -10.875  -2.474  -3.521
  143    HD1  TRP  21           HD1      TRP  21  -8.612  -1.278  -3.920
  144    HE1  TRP  21           HE1      TRP  21  -6.138  -1.950  -3.638
  145    HE3  TRP  21           HE3      TRP  21  -9.250  -5.604  -1.288
  146    HZ2  TRP  21           HZ2      TRP  21  -4.669  -4.040  -2.449
  147    HZ3  TRP  21           HZ3      TRP  21  -7.262  -6.888  -0.613
  148    HH2  TRP  21           HH2      TRP  21  -5.014  -6.117  -1.184
  149    H    VAL  22           HN       VAL  22 -10.718  -2.352   1.068
  150    HA   VAL  22           HA       VAL  22 -10.062  -5.134   1.624
  151    HB   VAL  22           HB       VAL  22  -9.533  -4.336   3.923
  152   HG11  VAL  22          HG11      VAL  22  -8.177  -2.884   1.659
  153   HG12  VAL  22          HG12      VAL  22  -7.789  -4.497   2.260
  154   HG13  VAL  22          HG13      VAL  22  -7.515  -3.085   3.281
  155   HG21  VAL  22          HG21      VAL  22 -11.058  -2.435   4.016
  156   HG22  VAL  22          HG22      VAL  22 -10.127  -1.613   2.763
  157   HG23  VAL  22          HG23      VAL  22  -9.400  -1.926   4.340
  158    H    ASN  23           HN       ASN  23 -12.782  -4.004   1.045
  159    HA   ASN  23           HA       ASN  23 -14.186  -5.539   3.061
  160    HB2  ASN  23           HB2      ASN  23 -14.279  -3.319   4.041
  161    HB3  ASN  23           HB1      ASN  23 -14.822  -2.635   2.510
  162   HD21  ASN  23          HD21      ASN  23 -15.722  -4.448   5.329
  163   HD22  ASN  23          HD22      ASN  23 -17.434  -4.419   5.049
  164    H    ARG  24           HN       ARG  24 -14.724  -3.312   0.380
  165    HA   ARG  24           HA       ARG  24 -16.391  -5.360  -0.922
  166    HB2  ARG  24           HB2      ARG  24 -17.764  -3.461  -0.493
  167    HB3  ARG  24           HB1      ARG  24 -16.515  -2.347  -1.034
  168    HG2  ARG  24           HG2      ARG  24 -16.757  -3.351  -3.322
  169    HG3  ARG  24           HG1      ARG  24 -18.177  -4.201  -2.715
  170    HD2  ARG  24           HD2      ARG  24 -19.326  -2.174  -2.304
  171    HD3  ARG  24           HD1      ARG  24 -17.860  -1.219  -2.532
  172    HE   ARG  24           HE       ARG  24 -18.650  -2.757  -4.842
  173   HH11  ARG  24          HH11      ARG  24 -18.943   0.293  -3.145
  174   HH12  ARG  24          HH12      ARG  24 -19.450   1.171  -4.558
  175   HH21  ARG  24          HH21      ARG  24 -19.255  -1.591  -6.705
  176   HH22  ARG  24          HH22      ARG  24 -19.589   0.109  -6.590
  177    H    ASN  25           HN       ASN  25 -15.746  -6.113  -2.843
  178    HA   ASN  25           HA       ASN  25 -14.290  -4.428  -4.666
  179    HB2  ASN  25           HB2      ASN  25 -12.443  -5.454  -3.364
  180    HB3  ASN  25           HB1      ASN  25 -13.049  -7.051  -3.797
  181   HD21  ASN  25          HD21      ASN  25 -11.101  -7.571  -4.855
  182   HD22  ASN  25          HD22      ASN  25 -10.698  -6.890  -6.395
  Start of MODEL    2
    1    H1   CYS   1           HT1      CYS   1   2.619   2.549  -6.892
    2    H2   CYS   1           HT2      CYS   1   2.324   4.187  -6.560
    3    H3   CYS   1           HT3      CYS   1   1.284   2.999  -5.948
    4    HA   CYS   1           HA       CYS   1   2.755   3.867  -4.246
    5    HB2  CYS   1           HB2      CYS   1   3.341   1.009  -5.044
    6    HB3  CYS   1           HB1      CYS   1   3.602   1.698  -3.446
    7    H    SER   2           HN       SER   2   4.512   5.087  -4.154
    8    HA   SER   2           HA       SER   2   6.790   4.496  -5.890
    9    HB2  SER   2           HB2      SER   2   6.314   6.867  -4.062
   10    HB3  SER   2           HB1      SER   2   7.612   6.710  -5.246
   11    HG   SER   2           HG       SER   2   5.765   6.427  -6.805
   12    H    CYS   3           HN       CYS   3   8.128   3.003  -5.048
   13    HA   CYS   3           HA       CYS   3   8.600   2.978  -2.160
   14    HB2  CYS   3           HB2      CYS   3   9.812   0.942  -3.964
   15    HB3  CYS   3           HB1      CYS   3   9.111   0.748  -2.358
   16    H    THR   4           HN       THR   4   9.972   4.800  -2.037
   17    HA   THR   4           HA       THR   4  12.248   5.132  -3.700
   18    HB   THR   4           HB       THR   4  11.773   6.367  -1.014
   19    HG1  THR   4           HG1      THR   4  10.835   7.096  -3.610
   20   HG21  THR   4          HG21      THR   4  13.326   7.344  -3.408
   21   HG22  THR   4          HG22      THR   4  14.032   6.677  -1.936
   22   HG23  THR   4          HG23      THR   4  13.138   8.196  -1.874
   23    H    ASP   5           HN       ASP   5  13.587   3.418  -3.685
   24    HA   ASP   5           HA       ASP   5  14.982   1.769  -2.971
   25    HB2  ASP   5           HB2      ASP   5  16.276   3.939  -2.526
   26    HB3  ASP   5           HB1      ASP   5  15.865   3.708  -0.828
   27    H    MET   6           HN       MET   6  12.664   1.096  -2.180
   28    HA   MET   6           HA       MET   6  12.761   0.522   0.705
   29    HB2  MET   6           HB2      MET   6  11.081   2.195   0.310
   30    HB3  MET   6           HB1      MET   6  10.425   1.295  -1.047
   31    HG2  MET   6           HG2      MET   6   9.653  -0.439   0.454
   32    HG3  MET   6           HG1      MET   6  10.341   0.422   1.823
   33    HE1  MET   6           HE1      MET   6   8.107   3.610   2.030
   34    HE2  MET   6           HE2      MET   6   9.671   3.447   1.225
   35    HE3  MET   6           HE3      MET   6   9.398   2.678   2.792
   36    H    SER   7           HN       SER   7  11.988  -1.523   1.346
   37    HA   SER   7           HA       SER   7  12.294  -3.659  -0.392
   38    HB2  SER   7           HB2      SER   7  10.715  -3.674   2.187
   39    HB3  SER   7           HB1      SER   7  11.594  -5.014   1.448
   40    HG   SER   7           HG       SER   7  12.621  -3.792   3.270
   41    H    ASP   8           HN       ASP   8  10.926  -4.684  -1.611
   42    HA   ASP   8           HA       ASP   8   8.692  -3.390  -2.653
   43    HB2  ASP   8           HB2      ASP   8   8.354  -5.258  -4.046
   44    HB3  ASP   8           HB1      ASP   8  10.085  -5.229  -3.739
   45    H    LEU   9           HN       LEU   9   8.839  -5.945  -0.209
   46    HA   LEU   9           HA       LEU   9   6.006  -6.203   0.054
   47    HB2  LEU   9           HB2      LEU   9   7.601  -7.953   0.755
   48    HB3  LEU   9           HB1      LEU   9   8.191  -6.897   2.022
   49    HG   LEU   9           HG       LEU   9   5.940  -6.933   3.065
   50   HD11  LEU   9          HD11      LEU   9   4.313  -8.575   2.336
   51   HD12  LEU   9          HD12      LEU   9   5.352  -9.039   0.990
   52   HD13  LEU   9          HD13      LEU   9   4.647  -7.423   1.046
   53   HD21  LEU   9          HD21      LEU   9   7.214  -9.626   2.605
   54   HD22  LEU   9          HD22      LEU   9   6.106  -9.218   3.918
   55   HD23  LEU   9          HD23      LEU   9   7.688  -8.440   3.825
   56    H    GLU  10           HN       GLU  10   8.486  -4.306   1.662
   57    HA   GLU  10           HA       GLU  10   6.920  -3.176   3.709
   58    HB2  GLU  10           HB2      GLU  10   9.448  -3.080   3.465
   59    HB3  GLU  10           HB1      GLU  10   9.202  -1.834   2.253
   60    HG2  GLU  10           HG2      GLU  10   8.124  -0.413   3.921
   61    HG3  GLU  10           HG1      GLU  10   8.370  -1.662   5.141
   62    H    CYS  11           HN       CYS  11   7.532  -2.246   0.382
   63    HA   CYS  11           HA       CYS  11   6.239   0.245   0.377
   64    HB2  CYS  11           HB2      CYS  11   7.806  -0.615  -1.373
   65    HB3  CYS  11           HB1      CYS  11   6.530  -1.691  -1.930
   66    H    MET  12           HN       MET  12   5.052  -3.006  -0.426
   67    HA   MET  12           HA       MET  12   2.435  -2.159  -1.114
   68    HB2  MET  12           HB2      MET  12   3.455  -4.863  -0.233
   69    HB3  MET  12           HB1      MET  12   1.833  -4.566  -0.844
   70    HG2  MET  12           HG2      MET  12   2.860  -3.729  -2.954
   71    HG3  MET  12           HG1      MET  12   4.428  -4.244  -2.332
   72    HE1  MET  12           HE1      MET  12   3.811  -6.917  -0.831
   73    HE2  MET  12           HE2      MET  12   5.144  -6.751  -1.971
   74    HE3  MET  12           HE3      MET  12   4.030  -8.112  -2.107
   75    H    ASN  13           HN       ASN  13   3.999  -2.761   1.909
   76    HA   ASN  13           HA       ASN  13   1.560  -2.985   3.397
   77    HB2  ASN  13           HB2      ASN  13   4.452  -2.808   4.060
   78    HB3  ASN  13           HB1      ASN  13   3.310  -2.304   5.303
   79   HD21  ASN  13          HD21      ASN  13   4.422  -4.976   3.350
   80   HD22  ASN  13          HD22      ASN  13   3.684  -6.226   4.302
   81    H    PHE  14           HN       PHE  14   3.987  -0.373   3.052
   82    HA   PHE  14           HA       PHE  14   2.474   1.397   4.686
   83    HB2  PHE  14           HB2      PHE  14   4.287   2.739   4.620
   84    HB3  PHE  14           HB1      PHE  14   5.069   1.346   3.889
   85    HD1  PHE  14           HD2      PHE  14   5.287   1.240   1.393
   86    HD2  PHE  14           HD1      PHE  14   4.025   4.760   3.427
   87    HE1  PHE  14           HE2      PHE  14   5.842   2.584  -0.593
   88    HE2  PHE  14           HE1      PHE  14   4.578   6.107   1.443
   89    HZ   PHE  14           HZ       PHE  14   5.443   5.035  -0.571
   90    H    CYS  15           HN       CYS  15   2.599   0.843   1.221
   91    HA   CYS  15           HA       CYS  15   1.232   3.303   0.602
   92    HB2  CYS  15           HB2      CYS  15   2.799   2.451  -1.006
   93    HB3  CYS  15           HB1      CYS  15   1.961   0.905  -1.082
   94    H    HIS  16           HN       HIS  16   0.346  -0.120   0.806
   95    HA   HIS  16           HA       HIS  16  -2.230   0.316  -0.381
   96    HB2  HIS  16           HB2      HIS  16  -0.945  -2.066   0.936
   97    HB3  HIS  16           HB1      HIS  16  -2.627  -2.089   0.413
   98    HD1  HIS  16           HD1      HIS  16  -2.039  -3.978  -1.277
   99    HD2  HIS  16           HD2      HIS  16  -0.053  -0.379  -1.946
  100    HE1  HIS  16           HE1      HIS  16  -1.019  -4.178  -3.569
  101    HE2  HIS  16           HE2      HIS  16   0.292  -2.049  -3.900
  102    H    LYS  17           HN       LYS  17  -1.031   0.784   2.758
  103    HA   LYS  17           HA       LYS  17  -3.534   0.131   4.053
  104    HB2  LYS  17           HB2      LYS  17  -2.445   0.702   6.149
  105    HB3  LYS  17           HB1      LYS  17  -1.427  -0.390   5.221
  106    HG2  LYS  17           HG2      LYS  17  -0.035   1.456   4.512
  107    HG3  LYS  17           HG1      LYS  17  -1.089   2.598   5.347
  108    HD2  LYS  17           HD2      LYS  17  -0.535   1.549   7.486
  109    HD3  LYS  17           HD1      LYS  17   0.503   0.391   6.652
  110    HE2  LYS  17           HE2      LYS  17   1.831   2.173   7.624
  111    HE3  LYS  17           HE1      LYS  17   1.914   2.237   5.865
  112    HZ1  LYS  17           HZ1      LYS  17   0.274   4.023   5.893
  113    HZ2  LYS  17           HZ2      LYS  17   1.637   4.434   6.812
  114    HZ3  LYS  17           HZ3      LYS  17   0.212   3.959   7.589
  115    H    ASP  18           HN       ASP  18  -2.565   2.622   2.299
  116    HA   ASP  18           HA       ASP  18  -4.351   4.446   3.735
  117    HB2  ASP  18           HB2      ASP  18  -1.704   5.263   2.551
  118    HB3  ASP  18           HB1      ASP  18  -2.876   6.314   3.304
  119    H    VAL  19           HN       VAL  19  -4.231   2.757   1.125
  120    HA   VAL  19           HA       VAL  19  -4.296   4.638  -0.993
  121    HB   VAL  19           HB       VAL  19  -5.514   2.833  -2.272
  122   HG11  VAL  19          HG11      VAL  19  -3.534   1.392  -2.423
  123   HG12  VAL  19          HG12      VAL  19  -2.897   2.142  -0.958
  124   HG13  VAL  19          HG13      VAL  19  -3.122   3.108  -2.417
  125   HG21  VAL  19          HG21      VAL  19  -4.986   1.249   0.233
  126   HG22  VAL  19          HG22      VAL  19  -5.562   0.599  -1.301
  127   HG23  VAL  19          HG23      VAL  19  -6.569   1.719  -0.382
  128    H    ILE  20           HN       ILE  20  -5.746   6.092  -1.413
  129    HA   ILE  20           HA       ILE  20  -8.302   6.038  -0.061
  130    HB   ILE  20           HB       ILE  20  -6.675   8.072  -0.620
  131   HG12  ILE  20          HG12      ILE  20  -8.596   9.571  -0.257
  132   HG13  ILE  20          HG11      ILE  20  -9.693   8.239  -0.622
  133   HG21  ILE  20          HG21      ILE  20  -7.520   9.400  -2.490
  134   HG22  ILE  20          HG22      ILE  20  -8.604   8.080  -2.935
  135   HG23  ILE  20          HG23      ILE  20  -6.858   7.857  -3.038
  136   HD11  ILE  20          HD11      ILE  20  -7.709   8.252   1.642
  137   HD12  ILE  20          HD12      ILE  20  -8.931   7.023   1.309
  138   HD13  ILE  20          HD13      ILE  20  -9.425   8.647   1.792
  139    H    TRP  21           HN       TRP  21  -7.047   4.856  -2.880
  140    HA   TRP  21           HA       TRP  21  -9.549   5.055  -4.380
  141    HB2  TRP  21           HB2      TRP  21  -8.051   4.043  -6.219
  142    HB3  TRP  21           HB1      TRP  21  -7.815   5.732  -5.775
  143    HD1  TRP  21           HD1      TRP  21  -5.578   6.279  -4.270
  144    HE1  TRP  21           HE1      TRP  21  -3.300   5.086  -4.221
  145    HE3  TRP  21           HE3      TRP  21  -6.968   1.867  -6.352
  146    HZ2  TRP  21           HZ2      TRP  21  -2.238   2.583  -4.968
  147    HZ3  TRP  21           HZ3      TRP  21  -5.268   0.103  -6.658
  148    HH2  TRP  21           HH2      TRP  21  -2.952   0.460  -5.975
  149    H    VAL  22           HN       VAL  22  -9.060   3.345  -2.092
  150    HA   VAL  22           HA       VAL  22  -8.633   0.688  -2.923
  151    HB   VAL  22           HB       VAL  22  -8.308   1.248  -0.626
  152   HG11  VAL  22          HG11      VAL  22 -10.105   1.948   0.858
  153   HG12  VAL  22          HG12      VAL  22 -11.230   1.959  -0.503
  154   HG13  VAL  22          HG13      VAL  22  -9.877   3.094  -0.465
  155   HG21  VAL  22          HG21      VAL  22 -10.708  -0.545  -0.927
  156   HG22  VAL  22          HG22      VAL  22  -9.678  -0.453   0.501
  157   HG23  VAL  22          HG23      VAL  22  -9.013  -1.022  -1.031
  158    H    ASN  23           HN       ASN  23  -9.815  -0.151  -4.442
  159    HA   ASN  23           HA       ASN  23 -11.556  -1.576  -5.023
  160    HB2  ASN  23           HB2      ASN  23 -13.325   0.261  -3.408
  161    HB3  ASN  23           HB1      ASN  23 -13.917  -1.035  -4.429
  162   HD21  ASN  23          HD21      ASN  23 -12.564  -0.186  -1.426
  163   HD22  ASN  23          HD22      ASN  23 -12.550  -1.770  -0.722
  164    H    ARG  24           HN       ARG  24 -13.132  -1.489  -6.655
  165    HA   ARG  24           HA       ARG  24 -14.231  -0.728  -8.472
  166    HB2  ARG  24           HB2      ARG  24 -15.044   1.117  -7.016
  167    HB3  ARG  24           HB1      ARG  24 -13.652   2.067  -7.519
  168    HG2  ARG  24           HG2      ARG  24 -14.507   1.650  -9.917
  169    HG3  ARG  24           HG1      ARG  24 -16.026   1.212  -9.132
  170    HD2  ARG  24           HD2      ARG  24 -16.179   3.509  -9.688
  171    HD3  ARG  24           HD1      ARG  24 -15.923   3.426  -7.944
  172    HE   ARG  24           HE       ARG  24 -13.535   3.767  -9.577
  173   HH11  ARG  24          HH11      ARG  24 -15.987   5.255  -7.562
  174   HH12  ARG  24          HH12      ARG  24 -15.095   6.733  -7.363
  175   HH21  ARG  24          HH21      ARG  24 -12.366   5.713  -9.304
  176   HH22  ARG  24          HH22      ARG  24 -13.049   6.991  -8.349
  177    H    ASN  25           HN       ASN  25 -11.711   1.706  -7.981
  178    HA   ASN  25           HA       ASN  25 -10.195   2.642  -9.394
  179    HB2  ASN  25           HB2      ASN  25  -9.297   0.336  -9.621
  180    HB3  ASN  25           HB1      ASN  25 -10.405   0.054 -10.958
  181   HD21  ASN  25          HD21      ASN  25  -8.721   3.081 -10.376
  182   HD22  ASN  25          HD22      ASN  25  -7.706   2.994 -11.780
  Start of MODEL    3
    1    H1   CYS   1           HT1      CYS   1   3.024   7.124  -6.147
    2    H2   CYS   1           HT2      CYS   1   3.745   5.976  -7.167
    3    H3   CYS   1           HT3      CYS   1   4.559   7.417  -6.807
    4    HA   CYS   1           HA       CYS   1   4.714   6.789  -4.489
    5    HB2  CYS   1           HB2      CYS   1   3.435   4.227  -5.469
    6    HB3  CYS   1           HB1      CYS   1   4.176   4.425  -3.884
    7    H    SER   2           HN       SER   2   6.832   7.030  -4.805
    8    HA   SER   2           HA       SER   2   8.305   5.109  -6.424
    9    HB2  SER   2           HB2      SER   2   9.215   7.600  -4.962
   10    HB3  SER   2           HB1      SER   2  10.229   6.609  -6.013
   11    HG   SER   2           HG       SER   2   8.996   7.187  -7.758
   12    H    CYS   3           HN       CYS   3   8.761   3.265  -5.457
   13    HA   CYS   3           HA       CYS   3   9.371   3.272  -2.595
   14    HB2  CYS   3           HB2      CYS   3   8.716   0.908  -4.368
   15    HB3  CYS   3           HB1      CYS   3   8.767   0.943  -2.609
   16    H    THR   4           HN       THR   4  11.499   3.939  -2.705
   17    HA   THR   4           HA       THR   4  13.358   2.469  -4.403
   18    HB   THR   4           HB       THR   4  13.886   4.949  -2.798
   19    HG1  THR   4           HG1      THR   4  12.703   4.576  -5.317
   20   HG21  THR   4          HG21      THR   4  15.341   3.730  -5.141
   21   HG22  THR   4          HG22      THR   4  15.890   3.715  -3.462
   22   HG23  THR   4          HG23      THR   4  15.768   5.242  -4.340
   23    H    ASP   5           HN       ASP   5  14.294   0.770  -3.518
   24    HA   ASP   5           HA       ASP   5  15.351  -0.625  -2.057
   25    HB2  ASP   5           HB2      ASP   5  15.971   2.005  -0.706
   26    HB3  ASP   5           HB1      ASP   5  16.550   0.463  -0.082
   27    H    MET   6           HN       MET   6  12.539   0.261  -1.752
   28    HA   MET   6           HA       MET   6  12.017  -0.012   1.099
   29    HB2  MET   6           HB2      MET   6  10.878   1.662  -0.480
   30    HB3  MET   6           HB1      MET   6   9.999   0.290  -1.125
   31    HG2  MET   6           HG2      MET   6   9.074  -0.140   1.074
   32    HG3  MET   6           HG1      MET   6   9.964   1.229   1.724
   33    HE1  MET   6           HE1      MET   6   9.723   3.278  -0.721
   34    HE2  MET   6           HE2      MET   6   9.543   3.733   0.972
   35    HE3  MET   6           HE3      MET   6   8.321   4.219  -0.204
   36    H    SER   7           HN       SER   7  11.135  -1.844   2.005
   37    HA   SER   7           HA       SER   7  11.620  -4.255   0.578
   38    HB2  SER   7           HB2      SER   7  10.242  -3.979   3.250
   39    HB3  SER   7           HB1      SER   7  11.124  -5.374   2.634
   40    HG   SER   7           HG       SER   7  13.027  -4.319   2.900
   41    H    ASP   8           HN       ASP   8  10.146  -4.059  -1.160
   42    HA   ASP   8           HA       ASP   8   8.161  -4.239  -2.310
   43    HB2  ASP   8           HB2      ASP   8   9.195  -6.476  -2.078
   44    HB3  ASP   8           HB1      ASP   8   8.148  -6.786  -0.693
   45    H    LEU   9           HN       LEU   9   7.119  -5.883   0.636
   46    HA   LEU   9           HA       LEU   9   4.420  -5.196   0.429
   47    HB2  LEU   9           HB2      LEU   9   5.231  -6.989   1.882
   48    HB3  LEU   9           HB1      LEU   9   6.043  -5.819   2.902
   49    HG   LEU   9           HG       LEU   9   3.813  -4.857   3.479
   50   HD11  LEU   9          HD11      LEU   9   2.561  -5.611   1.531
   51   HD12  LEU   9          HD12      LEU   9   1.819  -6.188   3.022
   52   HD13  LEU   9          HD13      LEU   9   2.777  -7.289   2.032
   53   HD21  LEU   9          HD21      LEU   9   4.958  -6.460   4.940
   54   HD22  LEU   9          HD22      LEU   9   4.166  -7.788   4.091
   55   HD23  LEU   9          HD23      LEU   9   3.206  -6.637   5.019
   56    H    GLU  10           HN       GLU  10   7.098  -3.556   1.996
   57    HA   GLU  10           HA       GLU  10   5.756  -1.564   3.371
   58    HB2  GLU  10           HB2      GLU  10   8.458  -1.757   2.072
   59    HB3  GLU  10           HB1      GLU  10   7.969  -0.378   3.016
   60    HG2  GLU  10           HG2      GLU  10   8.077  -3.201   4.014
   61    HG3  GLU  10           HG1      GLU  10   9.297  -1.963   4.312
   62    H    CYS  11           HN       CYS  11   6.648  -1.851  -0.010
   63    HA   CYS  11           HA       CYS  11   6.233   0.800  -0.835
   64    HB2  CYS  11           HB2      CYS  11   7.321  -0.915  -2.245
   65    HB3  CYS  11           HB1      CYS  11   5.791  -1.775  -2.378
   66    H    MET  12           HN       MET  12   4.054  -1.975  -0.659
   67    HA   MET  12           HA       MET  12   1.790  -0.530  -1.635
   68    HB2  MET  12           HB2      MET  12   1.978  -3.191  -0.213
   69    HB3  MET  12           HB1      MET  12   0.521  -2.553  -0.964
   70    HG2  MET  12           HG2      MET  12   1.609  -2.568  -3.135
   71    HG3  MET  12           HG1      MET  12   3.093  -3.167  -2.403
   72    HE1  MET  12           HE1      MET  12   2.264  -5.298  -0.370
   73    HE2  MET  12           HE2      MET  12   3.482  -5.613  -1.602
   74    HE3  MET  12           HE3      MET  12   2.178  -6.768  -1.335
   75    H    ASN  13           HN       ASN  13   3.112  -1.336   1.502
   76    HA   ASN  13           HA       ASN  13   0.936  -0.609   3.106
   77    HB2  ASN  13           HB2      ASN  13   3.909  -0.605   3.618
   78    HB3  ASN  13           HB1      ASN  13   2.759  -0.101   4.851
   79   HD21  ASN  13          HD21      ASN  13   4.598  -2.328   4.922
   80   HD22  ASN  13          HD22      ASN  13   3.629  -3.751   5.108
   81    H    PHE  14           HN       PHE  14   3.776   1.362   2.163
   82    HA   PHE  14           HA       PHE  14   2.763   3.675   3.473
   83    HB2  PHE  14           HB2      PHE  14   4.823   4.491   3.124
   84    HB3  PHE  14           HB1      PHE  14   5.216   2.922   2.444
   85    HD1  PHE  14           HD2      PHE  14   5.282   2.613  -0.001
   86    HD2  PHE  14           HD1      PHE  14   4.631   6.433   1.758
   87    HE1  PHE  14           HE2      PHE  14   5.832   3.689  -2.143
   88    HE2  PHE  14           HE1      PHE  14   5.178   7.515  -0.383
   89    HZ   PHE  14           HZ       PHE  14   5.777   6.143  -2.335
   90    H    CYS  15           HN       CYS  15   2.628   2.510   0.153
   91    HA   CYS  15           HA       CYS  15   1.727   4.960  -0.966
   92    HB2  CYS  15           HB2      CYS  15   2.840   3.189  -2.283
   93    HB3  CYS  15           HB1      CYS  15   1.444   2.149  -2.044
   94    H    HIS  16           HN       HIS  16   0.020   1.989   0.000
   95    HA   HIS  16           HA       HIS  16  -2.509   3.284  -0.682
   96    HB2  HIS  16           HB2      HIS  16  -1.639   0.457  -0.356
   97    HB3  HIS  16           HB1      HIS  16  -3.321   0.845  -0.019
   98    HD1  HIS  16           HD1      HIS  16  -4.843   1.318  -1.979
   99    HD2  HIS  16           HD2      HIS  16  -0.860   0.853  -3.073
  100    HE1  HIS  16           HE1      HIS  16  -4.842   1.190  -4.496
  101    HE2  HIS  16           HE2      HIS  16  -2.411   1.016  -5.139
  102    H    LYS  17           HN       LYS  17  -1.020   1.531   2.026
  103    HA   LYS  17           HA       LYS  17  -1.580   1.326   4.206
  104    HB2  LYS  17           HB2      LYS  17  -2.867   4.000   3.682
  105    HB3  LYS  17           HB1      LYS  17  -2.832   3.260   5.275
  106    HG2  LYS  17           HG2      LYS  17  -0.424   3.334   5.310
  107    HG3  LYS  17           HG1      LYS  17  -0.385   3.925   3.648
  108    HD2  LYS  17           HD2      LYS  17  -1.757   5.399   5.883
  109    HD3  LYS  17           HD1      LYS  17  -0.064   5.664   5.457
  110    HE2  LYS  17           HE2      LYS  17  -2.332   5.905   3.491
  111    HE3  LYS  17           HE1      LYS  17  -1.721   7.265   4.428
  112    HZ1  LYS  17           HZ1      LYS  17  -0.780   7.019   2.132
  113    HZ2  LYS  17           HZ2      LYS  17   0.008   5.618   2.666
  114    HZ3  LYS  17           HZ3      LYS  17   0.373   7.114   3.374
  115    H    ASP  18           HN       ASP  18  -3.300   0.369   2.025
  116    HA   ASP  18           HA       ASP  18  -5.809   0.024   3.501
  117    HB2  ASP  18           HB2      ASP  18  -5.140  -0.747   0.666
  118    HB3  ASP  18           HB1      ASP  18  -6.695  -0.913   1.439
  119    H    VAL  19           HN       VAL  19  -2.970  -1.253   3.522
  120    HA   VAL  19           HA       VAL  19  -3.540  -3.969   2.862
  121    HB   VAL  19           HB       VAL  19  -1.169  -2.865   4.354
  122   HG11  VAL  19          HG11      VAL  19  -1.675  -5.447   2.920
  123   HG12  VAL  19          HG12      VAL  19  -1.505  -5.222   4.660
  124   HG13  VAL  19          HG13      VAL  19  -0.122  -4.953   3.596
  125   HG21  VAL  19          HG21      VAL  19  -0.019  -2.964   2.176
  126   HG22  VAL  19          HG22      VAL  19  -1.367  -1.827   2.148
  127   HG23  VAL  19          HG23      VAL  19  -1.537  -3.418   1.406
  128    H    ILE  20           HN       ILE  20  -5.192  -4.616   4.127
  129    HA   ILE  20           HA       ILE  20  -4.872  -4.647   7.018
  130    HB   ILE  20           HB       ILE  20  -7.090  -4.595   5.324
  131   HG12  ILE  20          HG12      ILE  20  -8.369  -4.710   7.451
  132   HG13  ILE  20          HG11      ILE  20  -6.895  -5.221   8.272
  133   HG21  ILE  20          HG21      ILE  20  -8.384  -6.591   5.867
  134   HG22  ILE  20          HG22      ILE  20  -6.989  -7.279   6.699
  135   HG23  ILE  20          HG23      ILE  20  -6.928  -7.001   4.958
  136   HD11  ILE  20          HD11      ILE  20  -7.348  -2.831   8.569
  137   HD12  ILE  20          HD12      ILE  20  -7.254  -2.606   6.820
  138   HD13  ILE  20          HD13      ILE  20  -5.828  -3.118   7.722
  139    H    TRP  21           HN       TRP  21  -4.301  -6.521   4.266
  140    HA   TRP  21           HA       TRP  21  -4.253  -9.089   5.564
  141    HB2  TRP  21           HB2      TRP  21  -3.272  -9.696   3.213
  142    HB3  TRP  21           HB1      TRP  21  -4.970  -9.281   3.395
  143    HD1  TRP  21           HD1      TRP  21  -5.798  -6.958   2.373
  144    HE1  TRP  21           HE1      TRP  21  -4.771  -5.376   0.616
  145    HE3  TRP  21           HE3      TRP  21  -1.052  -8.809   2.328
  146    HZ2  TRP  21           HZ2      TRP  21  -2.274  -4.995  -0.633
  147    HZ3  TRP  21           HZ3      TRP  21   0.602  -7.797   0.808
  148    HH2  TRP  21           HH2      TRP  21  -0.002  -5.925  -0.642
  149    H    VAL  22           HN       VAL  22  -2.515  -6.969   6.454
  150    HA   VAL  22           HA       VAL  22   0.107  -8.220   6.073
  151    HB   VAL  22           HB       VAL  22  -0.031  -5.777   5.653
  152   HG11  VAL  22          HG11      VAL  22  -1.833  -5.261   7.192
  153   HG12  VAL  22          HG12      VAL  22  -0.426  -4.238   7.505
  154   HG13  VAL  22          HG13      VAL  22  -0.777  -5.605   8.565
  155   HG21  VAL  22          HG21      VAL  22   2.082  -6.723   6.425
  156   HG22  VAL  22          HG22      VAL  22   1.592  -6.464   8.099
  157   HG23  VAL  22          HG23      VAL  22   1.854  -5.083   7.034
  158    H    ASN  23           HN       ASN  23  -2.423  -8.733   7.722
  159    HA   ASN  23           HA       ASN  23  -1.592  -8.574  10.470
  160    HB2  ASN  23           HB2      ASN  23  -3.957  -8.328   9.860
  161    HB3  ASN  23           HB1      ASN  23  -3.962  -9.952   9.184
  162   HD21  ASN  23          HD21      ASN  23  -2.381  -8.940  12.161
  163   HD22  ASN  23          HD22      ASN  23  -3.361  -9.896  13.214
  164    H    ARG  24           HN       ARG  24   0.124  -9.820  10.909
  165    HA   ARG  24           HA       ARG  24  -0.102 -12.692  10.285
  166    HB2  ARG  24           HB2      ARG  24   2.346 -10.991  10.777
  167    HB3  ARG  24           HB1      ARG  24   2.380 -12.744  10.643
  168    HG2  ARG  24           HG2      ARG  24   1.461 -12.562   8.365
  169    HG3  ARG  24           HG1      ARG  24   1.527 -10.804   8.508
  170    HD2  ARG  24           HD2      ARG  24   3.897 -12.644   8.759
  171    HD3  ARG  24           HD1      ARG  24   3.460 -11.767   7.294
  172    HE   ARG  24           HE       ARG  24   3.681  -9.725   8.907
  173   HH11  ARG  24          HH11      ARG  24   5.658 -12.618   8.987
  174   HH12  ARG  24          HH12      ARG  24   7.110 -11.773   9.436
  175   HH21  ARG  24          HH21      ARG  24   5.565  -8.614   9.525
  176   HH22  ARG  24          HH22      ARG  24   7.055  -9.482   9.749
  177    H    ASN  25           HN       ASN  25  -0.334 -10.418  12.712
  178    HA   ASN  25           HA       ASN  25  -0.404 -12.531  14.700
  179    HB2  ASN  25           HB2      ASN  25   0.869 -11.235  16.356
  180    HB3  ASN  25           HB1      ASN  25   1.858 -11.628  14.959
  181   HD21  ASN  25          HD21      ASN  25   0.357  -9.113  16.792
  182   HD22  ASN  25          HD22      ASN  25   1.112  -7.784  15.982
  Start of MODEL    4
    1    H1   CYS   1           HT1      CYS   1   2.375   4.043  -6.757
    2    H2   CYS   1           HT2      CYS   1   1.226   3.112  -5.936
    3    H3   CYS   1           HT3      CYS   1   2.384   2.352  -6.917
    4    HA   CYS   1           HA       CYS   1   2.851   3.799  -4.381
    5    HB2  CYS   1           HB2      CYS   1   3.298   0.907  -5.164
    6    HB3  CYS   1           HB1      CYS   1   3.648   1.615  -3.591
    7    H    SER   2           HN       SER   2   4.649   4.940  -4.447
    8    HA   SER   2           HA       SER   2   6.808   4.159  -6.280
    9    HB2  SER   2           HB2      SER   2   5.928   6.495  -6.409
   10    HB3  SER   2           HB1      SER   2   6.443   6.752  -4.741
   11    HG   SER   2           HG       SER   2   8.370   5.781  -6.505
   12    H    CYS   3           HN       CYS   3   8.244   2.845  -5.370
   13    HA   CYS   3           HA       CYS   3   8.586   2.821  -2.494
   14    HB2  CYS   3           HB2      CYS   3  10.131   1.132  -4.443
   15    HB3  CYS   3           HB1      CYS   3   9.680   0.763  -2.785
   16    H    THR   4           HN       THR   4   9.740   4.617  -1.891
   17    HA   THR   4           HA       THR   4  12.226   5.257  -3.213
   18    HB   THR   4           HB       THR   4  11.091   6.468  -0.718
   19    HG1  THR   4           HG1      THR   4  10.607   8.165  -2.517
   20   HG21  THR   4          HG21      THR   4  13.465   6.939  -1.051
   21   HG22  THR   4          HG22      THR   4  12.498   8.394  -1.309
   22   HG23  THR   4          HG23      THR   4  13.128   7.497  -2.692
   23    H    ASP   5           HN       ASP   5  13.723   3.722  -2.880
   24    HA   ASP   5           HA       ASP   5  15.228   2.353  -1.859
   25    HB2  ASP   5           HB2      ASP   5  15.793   4.664  -0.876
   26    HB3  ASP   5           HB1      ASP   5  14.981   4.111   0.584
   27    H    MET   6           HN       MET   6  12.457   1.719  -1.649
   28    HA   MET   6           HA       MET   6  12.161   0.527   1.006
   29    HB2  MET   6           HB2      MET   6  10.477   2.140  -0.206
   30    HB3  MET   6           HB1      MET   6  10.014   0.688  -1.072
   31    HG2  MET   6           HG2      MET   6   8.526   0.879   0.676
   32    HG3  MET   6           HG1      MET   6   9.658  -0.363   1.185
   33    HE1  MET   6           HE1      MET   6   8.442   3.323   1.668
   34    HE2  MET   6           HE2      MET   6  10.087   3.501   1.053
   35    HE3  MET   6           HE3      MET   6   9.708   3.977   2.711
   36    H    SER   7           HN       SER   7  11.265  -1.685   1.089
   37    HA   SER   7           HA       SER   7  12.387  -3.387  -0.927
   38    HB2  SER   7           HB2      SER   7  10.652  -4.179   1.422
   39    HB3  SER   7           HB1      SER   7  11.825  -5.175   0.559
   40    HG   SER   7           HG       SER   7  12.385  -2.905   2.188
   41    H    ASP   8           HN       ASP   8  10.522  -5.423  -0.986
   42    HA   ASP   8           HA       ASP   8   8.675  -4.311  -2.926
   43    HB2  ASP   8           HB2      ASP   8   9.855  -6.396  -3.446
   44    HB3  ASP   8           HB1      ASP   8   9.088  -7.183  -2.070
   45    H    LEU   9           HN       LEU   9   8.131  -6.708  -0.342
   46    HA   LEU   9           HA       LEU   9   5.376  -6.207  -0.115
   47    HB2  LEU   9           HB2      LEU   9   6.495  -8.249   0.723
   48    HB3  LEU   9           HB1      LEU   9   7.270  -7.294   1.972
   49    HG   LEU   9           HG       LEU   9   5.009  -6.759   2.891
   50   HD11  LEU   9          HD11      LEU   9   4.125  -8.795   0.854
   51   HD12  LEU   9          HD12      LEU   9   3.675  -7.090   0.908
   52   HD13  LEU   9          HD13      LEU   9   3.130  -8.186   2.177
   53   HD21  LEU   9          HD21      LEU   9   4.676  -8.936   3.927
   54   HD22  LEU   9          HD22      LEU   9   6.395  -8.553   3.823
   55   HD23  LEU   9          HD23      LEU   9   5.674  -9.692   2.686
   56    H    GLU  10           HN       GLU  10   8.174  -4.949   1.578
   57    HA   GLU  10           HA       GLU  10   6.992  -3.360   3.520
   58    HB2  GLU  10           HB2      GLU  10   9.391  -3.806   3.360
   59    HB3  GLU  10           HB1      GLU  10   9.483  -2.860   1.886
   60    HG2  GLU  10           HG2      GLU  10   8.919  -0.851   3.117
   61    HG3  GLU  10           HG1      GLU  10   8.765  -1.791   4.601
   62    H    CYS  11           HN       CYS  11   7.584  -2.666   0.110
   63    HA   CYS  11           HA       CYS  11   6.779   0.052   0.181
   64    HB2  CYS  11           HB2      CYS  11   8.131  -0.975  -1.650
   65    HB3  CYS  11           HB1      CYS  11   6.700  -1.862  -2.163
   66    H    MET  12           HN       MET  12   5.081  -2.970  -0.467
   67    HA   MET  12           HA       MET  12   2.618  -1.688  -1.090
   68    HB2  MET  12           HB2      MET  12   3.216  -4.537  -0.276
   69    HB3  MET  12           HB1      MET  12   1.643  -3.970  -0.821
   70    HG2  MET  12           HG2      MET  12   2.696  -3.276  -2.961
   71    HG3  MET  12           HG1      MET  12   4.196  -4.013  -2.411
   72    HE1  MET  12           HE1      MET  12   3.297  -7.796  -2.263
   73    HE2  MET  12           HE2      MET  12   3.248  -6.638  -0.934
   74    HE3  MET  12           HE3      MET  12   4.568  -6.584  -2.102
   75    H    ASN  13           HN       ASN  13   4.218  -2.572   1.846
   76    HA   ASN  13           HA       ASN  13   1.965  -2.631   3.557
   77    HB2  ASN  13           HB2      ASN  13   4.880  -2.076   4.088
   78    HB3  ASN  13           HB1      ASN  13   3.671  -2.044   5.366
   79   HD21  ASN  13          HD21      ASN  13   5.935  -3.767   5.144
   80   HD22  ASN  13          HD22      ASN  13   5.330  -5.389   5.066
   81    H    PHE  14           HN       PHE  14   4.318   0.000   2.922
   82    HA   PHE  14           HA       PHE  14   2.831   1.796   4.581
   83    HB2  PHE  14           HB2      PHE  14   4.517   3.367   4.240
   84    HB3  PHE  14           HB1      PHE  14   5.374   1.843   4.084
   85    HD1  PHE  14           HD2      PHE  14   6.065   1.039   1.859
   86    HD2  PHE  14           HD1      PHE  14   4.356   4.893   2.423
   87    HE1  PHE  14           HE2      PHE  14   6.911   1.730  -0.344
   88    HE2  PHE  14           HE1      PHE  14   5.193   5.587   0.217
   89    HZ   PHE  14           HZ       PHE  14   6.519   4.068  -1.127
   90    H    CYS  15           HN       CYS  15   2.836   1.024   1.191
   91    HA   CYS  15           HA       CYS  15   1.416   3.429   0.463
   92    HB2  CYS  15           HB2      CYS  15   2.949   2.443  -1.135
   93    HB3  CYS  15           HB1      CYS  15   2.042   0.936  -1.122
   94    H    HIS  16           HN       HIS  16   0.541  -0.005   0.894
   95    HA   HIS  16           HA       HIS  16  -2.127   0.508  -0.107
   96    HB2  HIS  16           HB2      HIS  16  -0.741  -1.974   0.872
   97    HB3  HIS  16           HB1      HIS  16  -2.466  -1.956   0.525
   98    HD1  HIS  16           HD1      HIS  16  -2.022  -3.710  -1.372
   99    HD2  HIS  16           HD2      HIS  16  -0.214  -0.007  -1.945
  100    HE1  HIS  16           HE1      HIS  16  -1.330  -3.654  -3.788
  101    HE2  HIS  16           HE2      HIS  16  -0.461  -1.321  -4.165
  102    H    LYS  17           HN       LYS  17  -0.752   1.153   2.779
  103    HA   LYS  17           HA       LYS  17  -3.049   0.388   4.371
  104    HB2  LYS  17           HB2      LYS  17  -1.887   1.305   6.281
  105    HB3  LYS  17           HB1      LYS  17  -0.776   0.288   5.375
  106    HG2  LYS  17           HG2      LYS  17   0.323   2.181   4.443
  107    HG3  LYS  17           HG1      LYS  17  -0.909   3.275   5.074
  108    HD2  LYS  17           HD2      LYS  17  -0.233   2.659   7.368
  109    HD3  LYS  17           HD1      LYS  17   1.039   1.639   6.695
  110    HE2  LYS  17           HE2      LYS  17   1.909   3.816   7.400
  111    HE3  LYS  17           HE1      LYS  17   2.076   3.579   5.659
  112    HZ1  LYS  17           HZ1      LYS  17   0.208   4.994   5.266
  113    HZ2  LYS  17           HZ2      LYS  17   1.273   5.815   6.300
  114    HZ3  LYS  17           HZ3      LYS  17  -0.136   5.107   6.923
  115    H    ASP  18           HN       ASP  18  -2.449   2.650   2.231
  116    HA   ASP  18           HA       ASP  18  -4.238   4.577   3.537
  117    HB2  ASP  18           HB2      ASP  18  -1.859   5.258   1.802
  118    HB3  ASP  18           HB1      ASP  18  -3.005   6.391   2.482
  119    H    VAL  19           HN       VAL  19  -4.826   2.419   1.673
  120    HA   VAL  19           HA       VAL  19  -5.215   3.364  -0.922
  121    HB   VAL  19           HB       VAL  19  -7.016   1.691  -1.138
  122   HG11  VAL  19          HG11      VAL  19  -5.600  -0.261  -0.812
  123   HG12  VAL  19          HG12      VAL  19  -4.537   0.670   0.243
  124   HG13  VAL  19          HG13      VAL  19  -4.663   1.083  -1.468
  125   HG21  VAL  19          HG21      VAL  19  -7.463   0.180   0.744
  126   HG22  VAL  19          HG22      VAL  19  -7.967   1.837   1.079
  127   HG23  VAL  19          HG23      VAL  19  -6.477   1.210   1.781
  128    H    ILE  20           HN       ILE  20  -6.580   4.758  -1.809
  129    HA   ILE  20           HA       ILE  20  -8.111   6.383   0.019
  130    HB   ILE  20           HB       ILE  20  -6.599   7.260  -1.808
  131   HG12  ILE  20          HG12      ILE  20  -8.114   9.157  -2.338
  132   HG13  ILE  20          HG11      ILE  20  -9.460   8.237  -1.671
  133   HG21  ILE  20          HG21      ILE  20  -8.934   6.445  -3.524
  134   HG22  ILE  20          HG22      ILE  20  -7.280   5.835  -3.615
  135   HG23  ILE  20          HG23      ILE  20  -7.626   7.513  -4.036
  136   HD11  ILE  20          HD11      ILE  20  -8.639   9.849  -0.061
  137   HD12  ILE  20          HD12      ILE  20  -7.020   9.155  -0.164
  138   HD13  ILE  20          HD13      ILE  20  -8.344   8.205   0.508
  139    H    TRP  21           HN       TRP  21  -8.854   3.622  -1.580
  140    HA   TRP  21           HA       TRP  21 -11.599   4.471  -2.173
  141    HB2  TRP  21           HB2      TRP  21 -11.595   2.145  -3.389
  142    HB3  TRP  21           HB1      TRP  21 -10.924   3.577  -4.150
  143    HD1  TRP  21           HD1      TRP  21  -8.370   3.591  -4.714
  144    HE1  TRP  21           HE1      TRP  21  -6.538   1.783  -4.678
  145    HE3  TRP  21           HE3      TRP  21 -10.812   0.029  -1.973
  146    HZ2  TRP  21           HZ2      TRP  21  -6.179  -0.803  -3.614
  147    HZ3  TRP  21           HZ3      TRP  21  -9.654  -2.088  -1.495
  148    HH2  TRP  21           HH2      TRP  21  -7.384  -2.494  -2.300
  149    H    VAL  22           HN       VAL  22 -10.874   3.971   0.488
  150    HA   VAL  22           HA       VAL  22 -11.743   1.354   1.247
  151    HB   VAL  22           HB       VAL  22 -11.550   3.845   2.945
  152   HG11  VAL  22          HG11      VAL  22 -12.979   2.156   3.943
  153   HG12  VAL  22          HG12      VAL  22 -11.456   2.274   4.826
  154   HG13  VAL  22          HG13      VAL  22 -11.727   0.934   3.710
  155   HG21  VAL  22          HG21      VAL  22  -9.565   1.618   2.507
  156   HG22  VAL  22          HG22      VAL  22  -9.382   2.942   3.660
  157   HG23  VAL  22          HG23      VAL  22  -9.413   3.276   1.926
  158    H    ASN  23           HN       ASN  23 -13.737   0.806   0.648
  159    HA   ASN  23           HA       ASN  23 -15.979   0.567   0.832
  160    HB2  ASN  23           HB2      ASN  23 -15.765   1.247   3.197
  161    HB3  ASN  23           HB1      ASN  23 -15.913   2.935   2.719
  162   HD21  ASN  23          HD21      ASN  23 -17.892   3.760   2.211
  163   HD22  ASN  23          HD22      ASN  23 -19.373   2.887   2.423
  164    H    ARG  24           HN       ARG  24 -17.212   0.995  -0.834
  165    HA   ARG  24           HA       ARG  24 -17.044   3.675  -2.031
  166    HB2  ARG  24           HB2      ARG  24 -18.035   1.169  -3.393
  167    HB3  ARG  24           HB1      ARG  24 -17.555   2.684  -4.142
  168    HG2  ARG  24           HG2      ARG  24 -15.771   0.651  -2.825
  169    HG3  ARG  24           HG1      ARG  24 -15.842   1.075  -4.535
  170    HD2  ARG  24           HD2      ARG  24 -14.967   2.896  -2.294
  171    HD3  ARG  24           HD1      ARG  24 -13.901   2.074  -3.432
  172    HE   ARG  24           HE       ARG  24 -15.476   3.466  -5.089
  173   HH11  ARG  24          HH11      ARG  24 -13.803   4.425  -2.166
  174   HH12  ARG  24          HH12      ARG  24 -13.504   6.047  -2.714
  175   HH21  ARG  24          HH21      ARG  24 -15.139   5.611  -5.785
  176   HH22  ARG  24          HH22      ARG  24 -14.306   6.731  -4.749
  177    H    ASN  25           HN       ASN  25 -19.154   1.404  -0.576
  178    HA   ASN  25           HA       ASN  25 -21.463   3.126  -1.181
  179    HB2  ASN  25           HB2      ASN  25 -21.677   0.910  -2.234
  180    HB3  ASN  25           HB1      ASN  25 -21.458   0.146  -0.664
  181   HD21  ASN  25          HD21      ASN  25 -23.309   3.067  -1.255
  182   HD22  ASN  25          HD22      ASN  25 -24.852   2.389  -0.879
  Start of MODEL    5
    1    H1   CYS   1           HT1      CYS   1   3.850   2.331  -7.896
    2    H2   CYS   1           HT2      CYS   1   2.522   1.924  -6.928
    3    H3   CYS   1           HT3      CYS   1   4.023   1.178  -6.661
    4    HA   CYS   1           HA       CYS   1   3.408   4.052  -6.276
    5    HB2  CYS   1           HB2      CYS   1   4.110   1.965  -4.196
    6    HB3  CYS   1           HB1      CYS   1   3.557   3.614  -3.915
    7    H    SER   2           HN       SER   2   5.177   5.304  -5.481
    8    HA   SER   2           HA       SER   2   7.704   4.480  -6.560
    9    HB2  SER   2           HB2      SER   2   6.876   6.827  -6.690
   10    HB3  SER   2           HB1      SER   2   7.037   6.955  -4.938
   11    HG   SER   2           HG       SER   2   8.897   7.339  -6.810
   12    H    CYS   3           HN       CYS   3   8.707   2.900  -5.454
   13    HA   CYS   3           HA       CYS   3   8.814   2.981  -2.544
   14    HB2  CYS   3           HB2      CYS   3  10.207   0.900  -4.183
   15    HB3  CYS   3           HB1      CYS   3   9.401   0.740  -2.624
   16    H    THR   4           HN       THR   4  10.253   4.566  -1.981
   17    HA   THR   4           HA       THR   4  12.849   4.676  -3.290
   18    HB   THR   4           HB       THR   4  11.891   6.506  -1.128
   19    HG1  THR   4           HG1      THR   4  11.444   6.705  -3.942
   20   HG21  THR   4          HG21      THR   4  14.260   6.632  -1.678
   21   HG22  THR   4          HG22      THR   4  13.425   8.094  -2.209
   22   HG23  THR   4          HG23      THR   4  13.863   6.852  -3.383
   23    H    ASP   5           HN       ASP   5  14.365   3.398  -2.494
   24    HA   ASP   5           HA       ASP   5  15.745   2.284  -1.063
   25    HB2  ASP   5           HB2      ASP   5  14.850   4.386   0.929
   26    HB3  ASP   5           HB1      ASP   5  16.245   3.330   1.110
   27    H    MET   6           HN       MET   6  13.351   1.137  -1.440
   28    HA   MET   6           HA       MET   6  12.645  -0.080   1.092
   29    HB2  MET   6           HB2      MET   6  11.269   1.852   1.224
   30    HB3  MET   6           HB1      MET   6  10.825   1.739  -0.466
   31    HG2  MET   6           HG2      MET   6   9.387  -0.073  -0.076
   32    HG3  MET   6           HG1      MET   6  10.026  -0.319   1.546
   33    HE1  MET   6           HE1      MET   6   8.261   2.363  -0.733
   34    HE2  MET   6           HE2      MET   6   9.475   3.260   0.180
   35    HE3  MET   6           HE3      MET   6   7.759   3.538   0.483
   36    H    SER   7           HN       SER   7  11.544  -2.062   0.820
   37    HA   SER   7           HA       SER   7  11.985  -3.193  -1.799
   38    HB2  SER   7           HB2      SER   7  11.664  -5.359  -0.607
   39    HB3  SER   7           HB1      SER   7  12.934  -4.366   0.104
   40    HG   SER   7           HG       SER   7  11.581  -3.827   1.778
   41    H    ASP   8           HN       ASP   8  10.256  -5.249  -1.821
   42    HA   ASP   8           HA       ASP   8   8.005  -3.995  -3.001
   43    HB2  ASP   8           HB2      ASP   8   8.629  -6.898  -2.467
   44    HB3  ASP   8           HB1      ASP   8   7.158  -6.370  -3.277
   45    H    LEU   9           HN       LEU   9   8.262  -6.175  -0.190
   46    HA   LEU   9           HA       LEU   9   5.542  -6.110   0.484
   47    HB2  LEU   9           HB2      LEU   9   7.117  -7.774   1.370
   48    HB3  LEU   9           HB1      LEU   9   7.922  -6.522   2.296
   49    HG   LEU   9           HG       LEU   9   5.818  -6.170   3.575
   50   HD11  LEU   9          HD11      LEU   9   4.262  -7.010   1.873
   51   HD12  LEU   9          HD12      LEU   9   4.036  -7.810   3.429
   52   HD13  LEU   9          HD13      LEU   9   4.881  -8.642   2.121
   53   HD21  LEU   9          HD21      LEU   9   7.562  -7.577   4.494
   54   HD22  LEU   9          HD22      LEU   9   6.941  -8.967   3.609
   55   HD23  LEU   9          HD23      LEU   9   5.978  -8.240   4.893
   56    H    GLU  10           HN       GLU  10   8.263  -4.180   1.666
   57    HA   GLU  10           HA       GLU  10   6.949  -2.600   3.506
   58    HB2  GLU  10           HB2      GLU  10   9.290  -2.100   1.685
   59    HB3  GLU  10           HB1      GLU  10   8.809  -1.011   2.951
   60    HG2  GLU  10           HG2      GLU  10   9.197  -2.746   4.613
   61    HG3  GLU  10           HG1      GLU  10   9.691  -3.843   3.323
   62    H    CYS  11           HN       CYS  11   7.438  -2.173   0.029
   63    HA   CYS  11           HA       CYS  11   6.324   0.413  -0.159
   64    HB2  CYS  11           HB2      CYS  11   7.829  -0.799  -1.832
   65    HB3  CYS  11           HB1      CYS  11   6.377  -1.628  -2.380
   66    H    MET  12           HN       MET  12   4.954  -2.818  -0.610
   67    HA   MET  12           HA       MET  12   2.373  -1.920  -1.363
   68    HB2  MET  12           HB2      MET  12   3.243  -4.527  -0.102
   69    HB3  MET  12           HB1      MET  12   1.637  -4.216  -0.749
   70    HG2  MET  12           HG2      MET  12   2.671  -3.786  -2.961
   71    HG3  MET  12           HG1      MET  12   4.224  -4.264  -2.279
   72    HE1  MET  12           HE1      MET  12   3.408  -6.639  -0.341
   73    HE2  MET  12           HE2      MET  12   4.782  -6.723  -1.443
   74    HE3  MET  12           HE3      MET  12   3.601  -8.032  -1.403
   75    H    ASN  13           HN       ASN  13   3.899  -2.601   1.734
   76    HA   ASN  13           HA       ASN  13   1.624  -2.389   3.344
   77    HB2  ASN  13           HB2      ASN  13   4.520  -1.770   3.913
   78    HB3  ASN  13           HB1      ASN  13   3.270  -1.617   5.141
   79   HD21  ASN  13          HD21      ASN  13   5.545  -3.353   5.171
   80   HD22  ASN  13          HD22      ASN  13   4.944  -4.970   5.237
   81    H    PHE  14           HN       PHE  14   4.047   0.175   2.704
   82    HA   PHE  14           HA       PHE  14   2.579   2.104   4.141
   83    HB2  PHE  14           HB2      PHE  14   4.336   3.490   3.777
   84    HB3  PHE  14           HB1      PHE  14   5.121   2.016   3.234
   85    HD1  PHE  14           HD2      PHE  14   5.148   1.517   0.753
   86    HD2  PHE  14           HD1      PHE  14   4.056   5.311   2.335
   87    HE1  PHE  14           HE2      PHE  14   5.581   2.552  -1.438
   88    HE2  PHE  14           HE1      PHE  14   4.481   6.350   0.148
   89    HZ   PHE  14           HZ       PHE  14   5.231   4.988  -1.742
   90    H    CYS  15           HN       CYS  15   2.390   1.076   0.825
   91    HA   CYS  15           HA       CYS  15   0.981   3.475   0.019
   92    HB2  CYS  15           HB2      CYS  15   2.654   2.142  -1.405
   93    HB3  CYS  15           HB1      CYS  15   1.343   0.998  -1.652
   94    H    HIS  16           HN       HIS  16   0.201   0.215   0.998
   95    HA   HIS  16           HA       HIS  16  -2.575   0.571   0.093
   96    HB2  HIS  16           HB2      HIS  16  -0.910  -1.831   0.744
   97    HB3  HIS  16           HB1      HIS  16  -2.663  -1.936   0.876
   98    HD1  HIS  16           HD1      HIS  16  -3.078  -3.464  -1.062
   99    HD2  HIS  16           HD2      HIS  16  -0.848  -0.121  -2.134
  100    HE1  HIS  16           HE1      HIS  16  -2.965  -3.504  -3.574
  101    HE2  HIS  16           HE2      HIS  16  -1.717  -1.411  -4.212
  102    H    LYS  17           HN       LYS  17  -0.804   1.108   2.834
  103    HA   LYS  17           HA       LYS  17  -2.376  -0.241   4.764
  104    HB2  LYS  17           HB2      LYS  17  -1.108   0.944   6.449
  105    HB3  LYS  17           HB1      LYS  17  -0.035   0.355   5.184
  106    HG2  LYS  17           HG2      LYS  17  -0.017   2.586   4.176
  107    HG3  LYS  17           HG1      LYS  17  -1.065   3.166   5.474
  108    HD2  LYS  17           HD2      LYS  17   0.664   2.584   7.117
  109    HD3  LYS  17           HD1      LYS  17   1.710   2.025   5.807
  110    HE2  LYS  17           HE2      LYS  17   2.363   4.256   6.450
  111    HE3  LYS  17           HE1      LYS  17   1.648   4.293   4.840
  112    HZ1  LYS  17           HZ1      LYS  17   0.306   5.071   7.373
  113    HZ2  LYS  17           HZ2      LYS  17  -0.448   5.030   5.855
  114    HZ3  LYS  17           HZ3      LYS  17   0.822   6.119   6.144
  115    H    ASP  18           HN       ASP  18  -3.134   2.414   3.033
  116    HA   ASP  18           HA       ASP  18  -5.217   3.087   4.966
  117    HB2  ASP  18           HB2      ASP  18  -3.642   5.179   3.473
  118    HB3  ASP  18           HB1      ASP  18  -4.969   5.453   4.578
  119    H    VAL  19           HN       VAL  19  -4.444   2.180   1.952
  120    HA   VAL  19           HA       VAL  19  -5.299   2.372  -0.143
  121    HB   VAL  19           HB       VAL  19  -7.882   2.654   1.400
  122   HG11  VAL  19          HG11      VAL  19  -7.390   1.786  -1.443
  123   HG12  VAL  19          HG12      VAL  19  -8.202   3.261  -0.918
  124   HG13  VAL  19          HG13      VAL  19  -8.938   1.690  -0.603
  125   HG21  VAL  19          HG21      VAL  19  -6.620   0.677   2.046
  126   HG22  VAL  19          HG22      VAL  19  -6.479   0.203   0.351
  127   HG23  VAL  19          HG23      VAL  19  -8.061   0.229   1.134
  128    H    ILE  20           HN       ILE  20  -4.081   4.542   0.263
  129    HA   ILE  20           HA       ILE  20  -5.611   6.938   0.146
  130    HB   ILE  20           HB       ILE  20  -3.232   6.864   0.858
  131   HG12  ILE  20          HG12      ILE  20  -2.544   8.920  -0.321
  132   HG13  ILE  20          HG11      ILE  20  -3.826   8.670  -1.497
  133   HG21  ILE  20          HG21      ILE  20  -2.695   6.435  -2.067
  134   HG22  ILE  20          HG22      ILE  20  -2.399   5.279  -0.770
  135   HG23  ILE  20          HG23      ILE  20  -1.476   6.782  -0.841
  136   HD11  ILE  20          HD11      ILE  20  -5.487   8.905   0.277
  137   HD12  ILE  20          HD12      ILE  20  -4.454  10.330   0.156
  138   HD13  ILE  20          HD13      ILE  20  -4.195   9.161   1.449
  139    H    TRP  21           HN       TRP  21  -4.891   4.477  -2.015
  140    HA   TRP  21           HA       TRP  21  -5.228   6.026  -4.437
  141    HB2  TRP  21           HB2      TRP  21  -5.068   3.614  -5.419
  142    HB3  TRP  21           HB1      TRP  21  -3.635   4.365  -4.725
  143    HD1  TRP  21           HD1      TRP  21  -2.640   3.334  -2.524
  144    HE1  TRP  21           HE1      TRP  21  -3.044   1.144  -1.267
  145    HE3  TRP  21           HE3      TRP  21  -6.968   1.856  -4.814
  146    HZ2  TRP  21           HZ2      TRP  21  -4.932  -0.951  -1.246
  147    HZ3  TRP  21           HZ3      TRP  21  -8.006  -0.259  -4.119
  148    HH2  TRP  21           HH2      TRP  21  -7.008  -1.633  -2.367
  149    H    VAL  22           HN       VAL  22  -7.343   5.687  -2.422
  150    HA   VAL  22           HA       VAL  22  -9.323   3.904  -3.280
  151    HB   VAL  22           HB       VAL  22  -9.465   4.800  -1.075
  152   HG11  VAL  22          HG11      VAL  22  -9.836   7.165  -0.606
  153   HG12  VAL  22          HG12      VAL  22  -9.755   7.527  -2.332
  154   HG13  VAL  22          HG13      VAL  22  -8.328   6.919  -1.491
  155   HG21  VAL  22          HG21      VAL  22 -11.766   5.615  -0.988
  156   HG22  VAL  22          HG22      VAL  22 -11.605   4.286  -2.137
  157   HG23  VAL  22          HG23      VAL  22 -11.721   5.948  -2.719
  158    H    ASN  23           HN       ASN  23  -9.665   3.967  -5.438
  159    HA   ASN  23           HA       ASN  23 -11.212   6.270  -6.380
  160    HB2  ASN  23           HB2      ASN  23  -9.062   4.785  -7.888
  161    HB3  ASN  23           HB1      ASN  23 -10.282   5.766  -8.693
  162   HD21  ASN  23          HD21      ASN  23  -7.442   5.786  -6.722
  163   HD22  ASN  23          HD22      ASN  23  -7.157   7.492  -6.797
  164    H    ARG  24           HN       ARG  24 -13.176   5.547  -6.421
  165    HA   ARG  24           HA       ARG  24 -14.040   3.340  -7.951
  166    HB2  ARG  24           HB2      ARG  24 -14.990   2.099  -5.863
  167    HB3  ARG  24           HB1      ARG  24 -13.324   1.818  -6.339
  168    HG2  ARG  24           HG2      ARG  24 -13.124   2.074  -4.066
  169    HG3  ARG  24           HG1      ARG  24 -12.791   3.709  -4.631
  170    HD2  ARG  24           HD2      ARG  24 -14.258   3.915  -2.786
  171    HD3  ARG  24           HD1      ARG  24 -15.225   4.217  -4.229
  172    HE   ARG  24           HE       ARG  24 -15.275   1.481  -3.352
  173   HH11  ARG  24          HH11      ARG  24 -16.770   4.647  -3.011
  174   HH12  ARG  24          HH12      ARG  24 -18.260   4.003  -2.376
  175   HH21  ARG  24          HH21      ARG  24 -17.202   0.650  -2.492
  176   HH22  ARG  24          HH22      ARG  24 -18.499   1.731  -2.061
  177    H    ASN  25           HN       ASN  25 -14.584   5.555  -5.352
  178    HA   ASN  25           HA       ASN  25 -16.519   7.094  -6.430
  179    HB2  ASN  25           HB2      ASN  25 -17.986   5.034  -6.445
  180    HB3  ASN  25           HB1      ASN  25 -17.893   5.027  -4.685
  181   HD21  ASN  25          HD21      ASN  25 -19.091   6.700  -7.486
  182   HD22  ASN  25          HD22      ASN  25 -20.223   7.718  -6.656
  Start of MODEL    6
    1    H1   CYS   1           HT1      CYS   1   2.534   5.317  -5.742
    2    H2   CYS   1           HT2      CYS   1   1.419   4.071  -5.462
    3    H3   CYS   1           HT3      CYS   1   2.549   3.937  -6.725
    4    HA   CYS   1           HA       CYS   1   3.219   4.075  -3.849
    5    HB2  CYS   1           HB2      CYS   1   3.156   1.714  -5.741
    6    HB3  CYS   1           HB1      CYS   1   3.826   1.682  -4.113
    7    H    SER   2           HN       SER   2   4.937   5.484  -4.075
    8    HA   SER   2           HA       SER   2   6.993   4.864  -6.047
    9    HB2  SER   2           HB2      SER   2   6.870   7.085  -3.989
   10    HB3  SER   2           HB1      SER   2   8.024   6.960  -5.316
   11    HG   SER   2           HG       SER   2   6.214   8.358  -5.761
   12    H    CYS   3           HN       CYS   3   8.003   3.016  -5.385
   13    HA   CYS   3           HA       CYS   3   8.737   2.651  -2.611
   14    HB2  CYS   3           HB2      CYS   3   9.674   0.893  -4.855
   15    HB3  CYS   3           HB1      CYS   3   9.326   0.465  -3.187
   16    H    THR   4           HN       THR   4  10.222   4.289  -2.194
   17    HA   THR   4           HA       THR   4  12.679   4.303  -3.770
   18    HB   THR   4           HB       THR   4  11.871   6.165  -1.563
   19    HG1  THR   4           HG1      THR   4  10.901   5.951  -4.038
   20   HG21  THR   4          HG21      THR   4  13.569   7.646  -2.516
   21   HG22  THR   4          HG22      THR   4  13.964   6.417  -3.717
   22   HG23  THR   4          HG23      THR   4  14.279   6.114  -2.008
   23    H    ASP   5           HN       ASP   5  14.000   2.699  -3.150
   24    HA   ASP   5           HA       ASP   5  15.405   1.432  -1.893
   25    HB2  ASP   5           HB2      ASP   5  16.116   3.720  -1.032
   26    HB3  ASP   5           HB1      ASP   5  15.054   3.446   0.345
   27    H    MET   6           HN       MET   6  12.426   1.352  -1.751
   28    HA   MET   6           HA       MET   6  11.911   0.217   0.884
   29    HB2  MET   6           HB2      MET   6  10.415   1.887  -0.542
   30    HB3  MET   6           HB1      MET   6   9.823   0.373  -1.219
   31    HG2  MET   6           HG2      MET   6   8.395   0.868   0.547
   32    HG3  MET   6           HG1      MET   6   9.463  -0.388   1.149
   33    HE1  MET   6           HE1      MET   6   8.559   3.450   1.277
   34    HE2  MET   6           HE2      MET   6  10.177   3.395   0.579
   35    HE3  MET   6           HE3      MET   6   9.932   4.078   2.188
   36    H    SER   7           HN       SER   7  12.082  -1.913   1.163
   37    HA   SER   7           HA       SER   7  12.553  -3.674  -1.020
   38    HB2  SER   7           HB2      SER   7  12.015  -4.390   1.870
   39    HB3  SER   7           HB1      SER   7  12.837  -5.383   0.666
   40    HG   SER   7           HG       SER   7  14.292  -3.383   0.550
   41    H    ASP   8           HN       ASP   8  10.734  -3.569  -2.279
   42    HA   ASP   8           HA       ASP   8   8.622  -3.995  -3.048
   43    HB2  ASP   8           HB2      ASP   8   9.979  -6.010  -3.450
   44    HB3  ASP   8           HB1      ASP   8   9.396  -6.690  -1.934
   45    H    LEU   9           HN       LEU   9   8.507  -6.256  -0.354
   46    HA   LEU   9           HA       LEU   9   5.752  -6.027   0.047
   47    HB2  LEU   9           HB2      LEU   9   7.070  -7.919   0.853
   48    HB3  LEU   9           HB1      LEU   9   7.890  -6.879   2.002
   49    HG   LEU   9           HG       LEU   9   5.707  -6.481   3.132
   50   HD11  LEU   9          HD11      LEU   9   4.728  -8.633   1.265
   51   HD12  LEU   9          HD12      LEU   9   4.234  -6.939   1.246
   52   HD13  LEU   9          HD13      LEU   9   3.833  -7.962   2.629
   53   HD21  LEU   9          HD21      LEU   9   5.586  -8.703   4.176
   54   HD22  LEU   9          HD22      LEU   9   7.246  -8.138   3.993
   55   HD23  LEU   9          HD23      LEU   9   6.598  -9.348   2.885
   56    H    GLU  10           HN       GLU  10   8.434  -4.273   1.483
   57    HA   GLU  10           HA       GLU  10   6.922  -2.962   3.492
   58    HB2  GLU  10           HB2      GLU  10   9.479  -3.197   3.317
   59    HB3  GLU  10           HB1      GLU  10   9.404  -1.836   2.208
   60    HG2  GLU  10           HG2      GLU  10   9.947  -1.190   4.524
   61    HG3  GLU  10           HG1      GLU  10   8.484  -0.420   3.909
   62    H    CYS  11           HN       CYS  11   7.491  -2.340   0.105
   63    HA   CYS  11           HA       CYS  11   6.476   0.329   0.078
   64    HB2  CYS  11           HB2      CYS  11   7.890  -0.687  -1.754
   65    HB3  CYS  11           HB1      CYS  11   6.487  -1.645  -2.222
   66    H    MET  12           HN       MET  12   5.128  -2.872  -0.244
   67    HA   MET  12           HA       MET  12   2.495  -2.124  -0.949
   68    HB2  MET  12           HB2      MET  12   3.426  -4.571   0.571
   69    HB3  MET  12           HB1      MET  12   1.885  -4.390  -0.256
   70    HG2  MET  12           HG2      MET  12   3.007  -4.270  -2.391
   71    HG3  MET  12           HG1      MET  12   4.578  -4.337  -1.600
   72    HE1  MET  12           HE1      MET  12   1.235  -6.347  -2.302
   73    HE2  MET  12           HE2      MET  12   1.391  -6.348  -0.545
   74    HE3  MET  12           HE3      MET  12   1.583  -7.851  -1.446
   75    H    ASN  13           HN       ASN  13   4.228  -2.368   2.072
   76    HA   ASN  13           HA       ASN  13   1.970  -2.210   3.777
   77    HB2  ASN  13           HB2      ASN  13   4.855  -1.476   4.290
   78    HB3  ASN  13           HB1      ASN  13   3.608  -1.527   5.529
   79   HD21  ASN  13          HD21      ASN  13   6.058  -3.028   5.342
   80   HD22  ASN  13          HD22      ASN  13   5.608  -4.702   5.326
   81    H    PHE  14           HN       PHE  14   4.382   0.298   2.917
   82    HA   PHE  14           HA       PHE  14   2.966   2.267   4.397
   83    HB2  PHE  14           HB2      PHE  14   4.710   3.708   3.953
   84    HB3  PHE  14           HB1      PHE  14   5.503   2.156   3.740
   85    HD1  PHE  14           HD2      PHE  14   6.009   1.338   1.455
   86    HD2  PHE  14           HD1      PHE  14   4.463   5.238   2.164
   87    HE1  PHE  14           HE2      PHE  14   6.726   2.030  -0.793
   88    HE2  PHE  14           HE1      PHE  14   5.182   5.935  -0.084
   89    HZ   PHE  14           HZ       PHE  14   6.312   4.328  -1.565
   90    H    CYS  15           HN       CYS  15   2.703   1.186   1.124
   91    HA   CYS  15           HA       CYS  15   1.372   3.667   0.344
   92    HB2  CYS  15           HB2      CYS  15   3.079   2.764  -1.165
   93    HB3  CYS  15           HB1      CYS  15   2.153   1.276  -1.331
   94    H    HIS  16           HN       HIS  16   0.632   0.283   0.944
   95    HA   HIS  16           HA       HIS  16  -2.046   0.655  -0.182
   96    HB2  HIS  16           HB2      HIS  16  -0.626  -1.847   0.737
   97    HB3  HIS  16           HB1      HIS  16  -2.294  -1.814   0.182
   98    HD1  HIS  16           HD1      HIS  16  -2.574  -2.374  -2.196
   99    HD2  HIS  16           HD2      HIS  16   1.188  -0.778  -1.429
  100    HE1  HIS  16           HE1      HIS  16  -1.323  -2.507  -4.375
  101    HE2  HIS  16           HE2      HIS  16   1.005  -1.695  -3.844
  102    H    LYS  17           HN       LYS  17  -0.807   1.481   2.587
  103    HA   LYS  17           HA       LYS  17  -2.909   0.407   4.298
  104    HB2  LYS  17           HB2      LYS  17  -1.818   1.665   6.106
  105    HB3  LYS  17           HB1      LYS  17  -0.693   0.585   5.299
  106    HG2  LYS  17           HG2      LYS  17   0.452   2.330   4.285
  107    HG3  LYS  17           HG1      LYS  17  -0.895   3.452   4.476
  108    HD2  LYS  17           HD2      LYS  17   0.723   2.330   6.757
  109    HD3  LYS  17           HD1      LYS  17   1.009   3.903   6.011
  110    HE2  LYS  17           HE2      LYS  17  -1.586   3.052   7.292
  111    HE3  LYS  17           HE1      LYS  17  -0.348   4.023   8.084
  112    HZ1  LYS  17           HZ1      LYS  17  -1.738   4.820   5.575
  113    HZ2  LYS  17           HZ2      LYS  17  -0.672   5.764   6.498
  114    HZ3  LYS  17           HZ3      LYS  17  -2.185   5.342   7.127
  115    H    ASP  18           HN       ASP  18  -3.151   2.341   2.005
  116    HA   ASP  18           HA       ASP  18  -4.919   4.204   3.398
  117    HB2  ASP  18           HB2      ASP  18  -2.748   4.894   1.438
  118    HB3  ASP  18           HB1      ASP  18  -4.162   5.906   1.622
  119    H    VAL  19           HN       VAL  19  -5.700   1.864   2.199
  120    HA   VAL  19           HA       VAL  19  -6.413   2.129  -0.509
  121    HB   VAL  19           HB       VAL  19  -8.065   0.337  -0.093
  122   HG11  VAL  19          HG11      VAL  19  -5.343  -0.164   1.106
  123   HG12  VAL  19          HG12      VAL  19  -5.735  -0.203  -0.612
  124   HG13  VAL  19          HG13      VAL  19  -6.444  -1.395   0.478
  125   HG21  VAL  19          HG21      VAL  19  -8.758   0.934   2.140
  126   HG22  VAL  19          HG22      VAL  19  -7.142   0.606   2.756
  127   HG23  VAL  19          HG23      VAL  19  -8.127  -0.713   2.133
  128    H    ILE  20           HN       ILE  20  -8.142   3.014  -1.505
  129    HA   ILE  20           HA       ILE  20  -9.586   4.947   0.101
  130    HB   ILE  20           HB       ILE  20  -8.417   5.384  -2.171
  131   HG12  ILE  20          HG12      ILE  20 -10.107   7.129  -2.719
  132   HG13  ILE  20          HG11      ILE  20 -11.209   6.368  -1.573
  133   HG21  ILE  20          HG21      ILE  20  -9.880   5.149  -4.119
  134   HG22  ILE  20          HG22      ILE  20 -11.052   4.283  -3.126
  135   HG23  ILE  20          HG23      ILE  20  -9.459   3.587  -3.417
  136   HD11  ILE  20          HD11      ILE  20 -10.089   8.304  -0.610
  137   HD12  ILE  20          HD12      ILE  20  -8.524   7.540  -0.897
  138   HD13  ILE  20          HD13      ILE  20  -9.662   6.815   0.238
  139    H    TRP  21           HN       TRP  21 -10.105   1.838  -1.073
  140    HA   TRP  21           HA       TRP  21 -12.947   2.205  -1.522
  141    HB2  TRP  21           HB2      TRP  21 -12.767  -0.370  -1.945
  142    HB3  TRP  21           HB1      TRP  21 -12.170   0.772  -3.138
  143    HD1  TRP  21           HD1      TRP  21  -9.633   0.716  -3.719
  144    HE1  TRP  21           HE1      TRP  21  -7.696  -0.862  -3.100
  145    HE3  TRP  21           HE3      TRP  21 -11.856  -1.824   0.123
  146    HZ2  TRP  21           HZ2      TRP  21  -7.193  -2.927  -1.233
  147    HZ3  TRP  21           HZ3      TRP  21 -10.583  -3.590   1.265
  148    HH2  TRP  21           HH2      TRP  21  -8.298  -4.126   0.600
  149    H    VAL  22           HN       VAL  22 -12.171   2.721   1.099
  150    HA   VAL  22           HA       VAL  22 -13.077   0.419   2.647
  151    HB   VAL  22           HB       VAL  22 -12.666   1.868   4.640
  152   HG11  VAL  22          HG11      VAL  22 -10.933   0.366   3.825
  153   HG12  VAL  22          HG12      VAL  22 -10.232   1.848   4.476
  154   HG13  VAL  22          HG13      VAL  22 -10.349   1.620   2.732
  155   HG21  VAL  22          HG21      VAL  22 -11.586   3.824   2.611
  156   HG22  VAL  22          HG22      VAL  22 -11.487   3.983   4.365
  157   HG23  VAL  22          HG23      VAL  22 -13.057   4.038   3.559
  158    H    ASN  23           HN       ASN  23 -14.653   2.210   0.775
  159    HA   ASN  23           HA       ASN  23 -16.929   2.656   2.562
  160    HB2  ASN  23           HB2      ASN  23 -16.005   4.851   2.390
  161    HB3  ASN  23           HB1      ASN  23 -15.726   4.676   0.663
  162   HD21  ASN  23          HD21      ASN  23 -18.133   5.235   3.140
  163   HD22  ASN  23          HD22      ASN  23 -19.371   5.797   2.068
  164    H    ARG  24           HN       ARG  24 -18.757   1.914   1.768
  165    HA   ARG  24           HA       ARG  24 -20.329   1.048   0.404
  166    HB2  ARG  24           HB2      ARG  24 -20.084   3.269  -0.711
  167    HB3  ARG  24           HB1      ARG  24 -18.935   2.534  -1.821
  168    HG2  ARG  24           HG2      ARG  24 -20.614   1.105  -2.728
  169    HG3  ARG  24           HG1      ARG  24 -21.776   1.602  -1.495
  170    HD2  ARG  24           HD2      ARG  24 -21.665   3.904  -2.372
  171    HD3  ARG  24           HD1      ARG  24 -20.575   3.349  -3.638
  172    HE   ARG  24           HE       ARG  24 -22.480   1.873  -4.348
  173   HH11  ARG  24          HH11      ARG  24 -23.027   4.843  -2.583
  174   HH12  ARG  24          HH12      ARG  24 -24.621   5.092  -3.242
  175   HH21  ARG  24          HH21      ARG  24 -24.566   2.232  -5.264
  176   HH22  ARG  24          HH22      ARG  24 -25.466   3.642  -4.793
  177    H    ASN  25           HN       ASN  25 -19.401  -1.004   0.837
  178    HA   ASN  25           HA       ASN  25 -18.564  -2.346  -1.614
  179    HB2  ASN  25           HB2      ASN  25 -16.445  -1.917  -0.497
  180    HB3  ASN  25           HB1      ASN  25 -17.072  -2.573   1.012
  181   HD21  ASN  25          HD21      ASN  25 -15.992  -3.322  -2.212
  182   HD22  ASN  25          HD22      ASN  25 -15.750  -5.017  -1.951
  Start of MODEL    7
    1    H1   CYS   1           HT1      CYS   1   3.526   2.296  -6.157
    2    H2   CYS   1           HT2      CYS   1   3.460   3.486  -7.359
    3    H3   CYS   1           HT3      CYS   1   2.195   3.346  -6.239
    4    HA   CYS   1           HA       CYS   1   3.580   5.216  -5.689
    5    HB2  CYS   1           HB2      CYS   1   3.995   2.892  -3.787
    6    HB3  CYS   1           HB1      CYS   1   4.107   4.600  -3.371
    7    H    SER   2           HN       SER   2   5.699   5.892  -4.771
    8    HA   SER   2           HA       SER   2   7.821   4.650  -6.353
    9    HB2  SER   2           HB2      SER   2   7.871   7.273  -4.842
   10    HB3  SER   2           HB1      SER   2   9.032   6.722  -6.048
   11    HG   SER   2           HG       SER   2   6.590   7.915  -6.385
   12    H    CYS   3           HN       CYS   3   8.582   2.932  -5.212
   13    HA   CYS   3           HA       CYS   3   9.234   3.281  -2.388
   14    HB2  CYS   3           HB2      CYS   3  10.012   0.726  -3.517
   15    HB3  CYS   3           HB1      CYS   3   8.913   1.071  -2.189
   16    H    THR   4           HN       THR   4  11.069   4.435  -2.201
   17    HA   THR   4           HA       THR   4  13.372   3.724  -3.861
   18    HB   THR   4           HB       THR   4  13.216   5.995  -1.917
   19    HG1  THR   4           HG1      THR   4  12.144   5.741  -4.497
   20   HG21  THR   4          HG21      THR   4  14.923   5.528  -4.357
   21   HG22  THR   4          HG22      THR   4  15.453   5.380  -2.681
   22   HG23  THR   4          HG23      THR   4  14.978   6.954  -3.321
   23    H    ASP   5           HN       ASP   5  14.591   2.186  -3.067
   24    HA   ASP   5           HA       ASP   5  15.857   0.919  -1.673
   25    HB2  ASP   5           HB2      ASP   5  16.676   3.004  -0.653
   26    HB3  ASP   5           HB1      ASP   5  15.292   3.013   0.436
   27    H    MET   6           HN       MET   6  12.758   2.021  -0.617
   28    HA   MET   6           HA       MET   6  12.057   0.158   1.317
   29    HB2  MET   6           HB2      MET   6  10.809   2.228   0.352
   30    HB3  MET   6           HB1      MET   6  10.153   1.087  -0.811
   31    HG2  MET   6           HG2      MET   6   8.565   1.246   0.867
   32    HG3  MET   6           HG1      MET   6   9.402  -0.266   1.174
   33    HE1  MET   6           HE1      MET   6   9.994   3.619   3.557
   34    HE2  MET   6           HE2      MET   6   8.738   3.378   2.343
   35    HE3  MET   6           HE3      MET   6  10.432   3.437   1.857
   36    H    SER   7           HN       SER   7  11.735  -1.990   1.227
   37    HA   SER   7           HA       SER   7  12.175  -3.247  -1.355
   38    HB2  SER   7           HB2      SER   7  12.258  -4.462   1.413
   39    HB3  SER   7           HB1      SER   7  12.794  -5.229  -0.084
   40    HG   SER   7           HG       SER   7  13.912  -2.765   0.323
   41    H    ASP   8           HN       ASP   8  10.366  -3.448  -2.402
   42    HA   ASP   8           HA       ASP   8   8.302  -4.142  -3.075
   43    HB2  ASP   8           HB2      ASP   8   9.538  -6.557  -1.786
   44    HB3  ASP   8           HB1      ASP   8   8.001  -6.647  -2.636
   45    H    LEU   9           HN       LEU   9   8.364  -6.110  -0.190
   46    HA   LEU   9           HA       LEU   9   5.612  -6.002   0.259
   47    HB2  LEU   9           HB2      LEU   9   7.056  -7.754   1.160
   48    HB3  LEU   9           HB1      LEU   9   7.842  -6.585   2.203
   49    HG   LEU   9           HG       LEU   9   5.678  -6.239   3.377
   50   HD11  LEU   9          HD11      LEU   9   3.874  -7.836   3.036
   51   HD12  LEU   9          HD12      LEU   9   4.766  -8.577   1.708
   52   HD13  LEU   9          HD13      LEU   9   4.186  -6.918   1.562
   53   HD21  LEU   9          HD21      LEU   9   5.735  -8.349   4.600
   54   HD22  LEU   9          HD22      LEU   9   7.365  -7.770   4.254
   55   HD23  LEU   9          HD23      LEU   9   6.675  -9.082   3.301
   56    H    GLU  10           HN       GLU  10   8.243  -4.183   1.789
   57    HA   GLU  10           HA       GLU  10   6.590  -2.778   3.597
   58    HB2  GLU  10           HB2      GLU  10   9.160  -3.062   3.610
   59    HB3  GLU  10           HB1      GLU  10   9.173  -1.692   2.511
   60    HG2  GLU  10           HG2      GLU  10   9.548  -1.020   4.832
   61    HG3  GLU  10           HG1      GLU  10   8.092  -0.297   4.150
   62    H    CYS  11           HN       CYS  11   7.449  -2.259   0.255
   63    HA   CYS  11           HA       CYS  11   6.614   0.439   0.058
   64    HB2  CYS  11           HB2      CYS  11   7.980  -0.591  -1.706
   65    HB3  CYS  11           HB1      CYS  11   6.658  -1.692  -2.089
   66    H    MET  12           HN       MET  12   4.946  -2.637  -0.565
   67    HA   MET  12           HA       MET  12   2.495  -1.522  -1.358
   68    HB2  MET  12           HB2      MET  12   3.033  -4.158   0.022
   69    HB3  MET  12           HB1      MET  12   1.511  -3.715  -0.741
   70    HG2  MET  12           HG2      MET  12   2.775  -3.430  -2.884
   71    HG3  MET  12           HG1      MET  12   4.177  -4.114  -2.068
   72    HE1  MET  12           HE1      MET  12   2.851  -6.287  -0.183
   73    HE2  MET  12           HE2      MET  12   4.281  -6.634  -1.154
   74    HE3  MET  12           HE3      MET  12   2.898  -7.729  -1.196
   75    H    ASN  13           HN       ASN  13   3.809  -2.176   1.830
   76    HA   ASN  13           HA       ASN  13   1.479  -1.767   3.320
   77    HB2  ASN  13           HB2      ASN  13   4.381  -1.276   3.996
   78    HB3  ASN  13           HB1      ASN  13   3.086  -1.034   5.163
   79   HD21  ASN  13          HD21      ASN  13   5.327  -2.893   5.195
   80   HD22  ASN  13          HD22      ASN  13   4.628  -4.479   5.333
   81    H    PHE  14           HN       PHE  14   4.053   0.665   2.631
   82    HA   PHE  14           HA       PHE  14   2.384   2.752   3.687
   83    HB2  PHE  14           HB2      PHE  14   4.177   4.199   3.427
   84    HB3  PHE  14           HB1      PHE  14   4.989   2.654   3.625
   85    HD1  PHE  14           HD2      PHE  14   6.144   1.613   1.745
   86    HD2  PHE  14           HD1      PHE  14   4.223   5.389   1.349
   87    HE1  PHE  14           HE2      PHE  14   7.375   2.019  -0.344
   88    HE2  PHE  14           HE1      PHE  14   5.455   5.802  -0.744
   89    HZ   PHE  14           HZ       PHE  14   7.032   4.112  -1.591
   90    H    CYS  15           HN       CYS  15   2.573   1.191   0.704
   91    HA   CYS  15           HA       CYS  15   1.641   3.412  -0.885
   92    HB2  CYS  15           HB2      CYS  15   3.069   1.592  -1.809
   93    HB3  CYS  15           HB1      CYS  15   1.731   0.473  -1.591
   94    H    HIS  16           HN       HIS  16   0.219   0.389   0.387
   95    HA   HIS  16           HA       HIS  16  -2.290   0.913  -0.869
   96    HB2  HIS  16           HB2      HIS  16  -2.993  -1.156  -0.097
   97    HB3  HIS  16           HB1      HIS  16  -1.252  -1.373  -0.183
   98    HD1  HIS  16           HD1      HIS  16  -4.066  -1.853   2.028
   99    HD2  HIS  16           HD2      HIS  16   0.011  -1.168   2.465
  100    HE1  HIS  16           HE1      HIS  16  -3.508  -2.558   4.373
  101    HE2  HIS  16           HE2      HIS  16  -1.001  -2.362   4.528
  102    H    LYS  17           HN       LYS  17  -0.891   1.675   2.210
  103    HA   LYS  17           HA       LYS  17  -1.604   2.958   3.957
  104    HB2  LYS  17           HB2      LYS  17  -3.056   4.213   1.640
  105    HB3  LYS  17           HB1      LYS  17  -3.076   4.912   3.252
  106    HG2  LYS  17           HG2      LYS  17  -0.605   4.378   1.626
  107    HG3  LYS  17           HG1      LYS  17  -1.404   5.941   1.784
  108    HD2  LYS  17           HD2      LYS  17  -0.446   4.407   4.184
  109    HD3  LYS  17           HD1      LYS  17   0.634   5.459   3.274
  110    HE2  LYS  17           HE2      LYS  17  -0.207   6.722   5.103
  111    HE3  LYS  17           HE1      LYS  17  -1.004   7.318   3.650
  112    HZ1  LYS  17           HZ1      LYS  17  -2.207   5.367   5.545
  113    HZ2  LYS  17           HZ2      LYS  17  -2.972   6.109   4.227
  114    HZ3  LYS  17           HZ3      LYS  17  -2.512   7.037   5.565
  115    H    ASP  18           HN       ASP  18  -3.161   0.536   3.547
  116    HA   ASP  18           HA       ASP  18  -4.918  -0.531   4.487
  117    HB2  ASP  18           HB2      ASP  18  -5.291   2.057   6.000
  118    HB3  ASP  18           HB1      ASP  18  -6.018   0.510   6.401
  119    H    VAL  19           HN       VAL  19  -5.221   1.580   2.227
  120    HA   VAL  19           HA       VAL  19  -6.825   2.593   1.003
  121    HB   VAL  19           HB       VAL  19  -8.491   0.258   1.973
  122   HG11  VAL  19          HG11      VAL  19  -9.778   0.557  -0.065
  123   HG12  VAL  19          HG12      VAL  19  -8.772   1.933  -0.519
  124   HG13  VAL  19          HG13      VAL  19  -9.815   2.036   0.898
  125   HG21  VAL  19          HG21      VAL  19  -7.728  -0.867  -0.049
  126   HG22  VAL  19          HG22      VAL  19  -6.353  -0.410   0.959
  127   HG23  VAL  19          HG23      VAL  19  -6.753   0.542  -0.474
  128    H    ILE  20           HN       ILE  20  -6.452   3.801   3.316
  129    HA   ILE  20           HA       ILE  20  -8.950   4.428   4.608
  130    HB   ILE  20           HB       ILE  20  -6.731   4.628   5.746
  131   HG12  ILE  20          HG12      ILE  20  -7.250   6.760   6.880
  132   HG13  ILE  20          HG11      ILE  20  -8.395   7.150   5.603
  133   HG21  ILE  20          HG21      ILE  20  -6.422   7.031   3.962
  134   HG22  ILE  20          HG22      ILE  20  -5.452   5.561   3.912
  135   HG23  ILE  20          HG23      ILE  20  -5.372   6.621   5.320
  136   HD11  ILE  20          HD11      ILE  20  -8.590   4.820   7.498
  137   HD12  ILE  20          HD12      ILE  20  -9.744   5.217   6.225
  138   HD13  ILE  20          HD13      ILE  20  -9.518   6.316   7.587
  139    H    TRP  21           HN       TRP  21  -7.482   5.163   1.720
  140    HA   TRP  21           HA       TRP  21  -8.502   7.840   1.410
  141    HB2  TRP  21           HB2      TRP  21  -7.611   7.353  -1.016
  142    HB3  TRP  21           HB1      TRP  21  -6.509   7.674   0.310
  143    HD1  TRP  21           HD1      TRP  21  -4.823   5.789   0.980
  144    HE1  TRP  21           HE1      TRP  21  -4.233   3.483   0.003
  145    HE3  TRP  21           HE3      TRP  21  -8.760   5.229  -2.232
  146    HZ2  TRP  21           HZ2      TRP  21  -5.286   1.681  -1.877
  147    HZ3  TRP  21           HZ3      TRP  21  -8.890   3.185  -3.589
  148    HH2  TRP  21           HH2      TRP  21  -7.189   1.445  -3.412
  149    H    VAL  22           HN       VAL  22 -10.342   5.634   1.820
  150    HA   VAL  22           HA       VAL  22 -11.830   5.624  -0.699
  151    HB   VAL  22           HB       VAL  22 -11.391   3.446   0.407
  152   HG11  VAL  22          HG11      VAL  22 -12.533   2.888   2.490
  153   HG12  VAL  22          HG12      VAL  22 -13.121   4.548   2.611
  154   HG13  VAL  22          HG13      VAL  22 -11.389   4.216   2.698
  155   HG21  VAL  22          HG21      VAL  22 -13.672   2.568   0.302
  156   HG22  VAL  22          HG22      VAL  22 -13.332   3.665  -1.037
  157   HG23  VAL  22          HG23      VAL  22 -14.305   4.215   0.327
  158    H    ASN  23           HN       ASN  23 -11.453   7.542   1.720
  159    HA   ASN  23           HA       ASN  23 -14.286   8.310   1.934
  160    HB2  ASN  23           HB2      ASN  23 -13.643   7.602   4.119
  161    HB3  ASN  23           HB1      ASN  23 -12.100   8.442   4.017
  162   HD21  ASN  23          HD21      ASN  23 -15.560   8.834   4.429
  163   HD22  ASN  23          HD22      ASN  23 -15.477  10.430   5.109
  164    H    ARG  24           HN       ARG  24 -14.684  10.142   0.905
  165    HA   ARG  24           HA       ARG  24 -12.910  12.388   1.012
  166    HB2  ARG  24           HB2      ARG  24 -12.442  12.530  -1.373
  167    HB3  ARG  24           HB1      ARG  24 -11.811  11.019  -0.733
  168    HG2  ARG  24           HG2      ARG  24 -13.791   9.846  -1.607
  169    HG3  ARG  24           HG1      ARG  24 -14.365  11.367  -2.293
  170    HD2  ARG  24           HD2      ARG  24 -13.285  10.109  -4.020
  171    HD3  ARG  24           HD1      ARG  24 -12.268  11.490  -3.615
  172    HE   ARG  24           HE       ARG  24 -11.072   9.739  -2.123
  173   HH11  ARG  24          HH11      ARG  24 -12.507   9.131  -5.264
  174   HH12  ARG  24          HH12      ARG  24 -11.391   7.858  -5.667
  175   HH21  ARG  24          HH21      ARG  24  -9.630   8.040  -2.642
  176   HH22  ARG  24          HH22      ARG  24  -9.750   7.245  -4.186
  177    H    ASN  25           HN       ASN  25 -13.770  14.121  -0.568
  178    HA   ASN  25           HA       ASN  25 -16.556  13.896  -1.277
  179    HB2  ASN  25           HB2      ASN  25 -17.347  15.732   0.094
  180    HB3  ASN  25           HB1      ASN  25 -16.626  14.521   1.146
  181   HD21  ASN  25          HD21      ASN  25 -16.386  17.726  -0.116
  182   HD22  ASN  25          HD22      ASN  25 -15.106  18.261   0.918
  Start of MODEL    8
    1    H1   CYS   1           HT1      CYS   1   3.397   3.812  -7.674
    2    H2   CYS   1           HT2      CYS   1   3.465   5.348  -6.961
    3    H3   CYS   1           HT3      CYS   1   2.205   4.290  -6.571
    4    HA   CYS   1           HA       CYS   1   3.854   4.413  -4.817
    5    HB2  CYS   1           HB2      CYS   1   3.722   1.763  -6.273
    6    HB3  CYS   1           HB1      CYS   1   4.239   1.970  -4.603
    7    H    SER   2           HN       SER   2   5.758   5.413  -4.813
    8    HA   SER   2           HA       SER   2   7.898   4.344  -6.523
    9    HB2  SER   2           HB2      SER   2   7.795   6.972  -5.020
   10    HB3  SER   2           HB1      SER   2   9.040   6.469  -6.165
   11    HG   SER   2           HG       SER   2   6.285   6.753  -6.806
   12    H    CYS   3           HN       CYS   3   8.922   2.758  -5.468
   13    HA   CYS   3           HA       CYS   3   9.211   2.892  -2.573
   14    HB2  CYS   3           HB2      CYS   3  10.251   0.633  -4.236
   15    HB3  CYS   3           HB1      CYS   3   9.540   0.601  -2.627
   16    H    THR   4           HN       THR   4  10.868   4.237  -2.038
   17    HA   THR   4           HA       THR   4  13.372   4.038  -3.521
   18    HB   THR   4           HB       THR   4  12.600   5.951  -1.340
   19    HG1  THR   4           HG1      THR   4  12.185   5.921  -4.089
   20   HG21  THR   4          HG21      THR   4  14.938   5.951  -3.244
   21   HG22  THR   4          HG22      THR   4  15.010   5.675  -1.502
   22   HG23  THR   4          HG23      THR   4  14.535   7.255  -2.126
   23    H    ASP   5           HN       ASP   5  14.435   2.260  -2.889
   24    HA   ASP   5           HA       ASP   5  15.697   0.868  -1.621
   25    HB2  ASP   5           HB2      ASP   5  15.706   3.236   0.259
   26    HB3  ASP   5           HB1      ASP   5  16.671   1.786   0.512
   27    H    MET   6           HN       MET   6  12.774   0.948  -1.385
   28    HA   MET   6           HA       MET   6  12.413  -0.107   1.324
   29    HB2  MET   6           HB2      MET   6  11.008   1.852   0.482
   30    HB3  MET   6           HB1      MET   6  10.240   0.704  -0.605
   31    HG2  MET   6           HG2      MET   6   9.501  -0.598   1.284
   32    HG3  MET   6           HG1      MET   6  10.319   0.498   2.382
   33    HE1  MET   6           HE1      MET   6   9.699   3.303   0.962
   34    HE2  MET   6           HE2      MET   6   9.625   3.031   2.705
   35    HE3  MET   6           HE3      MET   6   8.269   3.793   1.869
   36    H    SER   7           HN       SER   7  11.311  -2.118   1.582
   37    HA   SER   7           HA       SER   7  11.839  -3.902  -0.654
   38    HB2  SER   7           HB2      SER   7  11.125  -4.494   2.228
   39    HB3  SER   7           HB1      SER   7  11.525  -5.706   1.012
   40    HG   SER   7           HG       SER   7  13.353  -3.633   1.318
   41    H    ASP   8           HN       ASP   8  10.271  -3.824  -2.039
   42    HA   ASP   8           HA       ASP   8   8.118  -3.840  -2.941
   43    HB2  ASP   8           HB2      ASP   8   8.595  -6.562  -1.740
   44    HB3  ASP   8           HB1      ASP   8   7.412  -6.214  -2.994
   45    H    LEU   9           HN       LEU   9   7.578  -5.965  -0.171
   46    HA   LEU   9           HA       LEU   9   4.813  -5.541  -0.089
   47    HB2  LEU   9           HB2      LEU   9   5.951  -7.478   0.904
   48    HB3  LEU   9           HB1      LEU   9   6.644  -6.439   2.133
   49    HG   LEU   9           HG       LEU   9   4.358  -5.947   2.965
   50   HD11  LEU   9          HD11      LEU   9   2.500  -7.360   2.222
   51   HD12  LEU   9          HD12      LEU   9   3.532  -8.052   0.969
   52   HD13  LEU   9          HD13      LEU   9   3.111  -6.340   0.918
   53   HD21  LEU   9          HD21      LEU   9   5.099  -8.870   2.839
   54   HD22  LEU   9          HD22      LEU   9   3.999  -8.133   4.004
   55   HD23  LEU   9          HD23      LEU   9   5.704  -7.688   4.002
   56    H    GLU  10           HN       GLU  10   7.419  -4.016   1.742
   57    HA   GLU  10           HA       GLU  10   5.789  -2.542   3.512
   58    HB2  GLU  10           HB2      GLU  10   8.355  -2.987   3.568
   59    HB3  GLU  10           HB1      GLU  10   8.457  -1.569   2.535
   60    HG2  GLU  10           HG2      GLU  10   8.814  -0.867   4.772
   61    HG3  GLU  10           HG1      GLU  10   7.227  -0.285   4.272
   62    H    CYS  11           HN       CYS  11   6.974  -1.957   0.282
   63    HA   CYS  11           HA       CYS  11   6.311   0.778   0.098
   64    HB2  CYS  11           HB2      CYS  11   7.837  -0.421  -1.460
   65    HB3  CYS  11           HB1      CYS  11   6.446  -1.278  -2.116
   66    H    MET  12           HN       MET  12   4.545  -2.187  -0.607
   67    HA   MET  12           HA       MET  12   2.245  -0.856  -1.643
   68    HB2  MET  12           HB2      MET  12   2.575  -3.654  -0.542
   69    HB3  MET  12           HB1      MET  12   1.130  -3.063  -1.353
   70    HG2  MET  12           HG2      MET  12   2.532  -2.604  -3.362
   71    HG3  MET  12           HG1      MET  12   3.876  -3.391  -2.540
   72    HE1  MET  12           HE1      MET  12   2.596  -7.067  -2.202
   73    HE2  MET  12           HE2      MET  12   2.435  -5.774  -1.014
   74    HE3  MET  12           HE3      MET  12   3.935  -5.954  -1.924
   75    H    ASN  13           HN       ASN  13   3.314  -1.828   1.534
   76    HA   ASN  13           HA       ASN  13   0.895  -1.510   2.917
   77    HB2  ASN  13           HB2      ASN  13   3.751  -1.114   3.818
   78    HB3  ASN  13           HB1      ASN  13   2.376  -1.023   4.911
   79   HD21  ASN  13          HD21      ASN  13   4.608  -2.840   4.963
   80   HD22  ASN  13          HD22      ASN  13   3.939  -4.438   4.851
   81    H    PHE  14           HN       PHE  14   3.561   0.853   2.502
   82    HA   PHE  14           HA       PHE  14   2.043   2.895   3.811
   83    HB2  PHE  14           HB2      PHE  14   3.957   4.135   3.828
   84    HB3  PHE  14           HB1      PHE  14   4.685   2.569   3.513
   85    HD1  PHE  14           HD2      PHE  14   5.374   1.984   1.197
   86    HD2  PHE  14           HD1      PHE  14   4.113   5.904   2.268
   87    HE1  PHE  14           HE2      PHE  14   6.434   2.875  -0.837
   88    HE2  PHE  14           HE1      PHE  14   5.167   6.801   0.236
   89    HZ   PHE  14           HZ       PHE  14   6.323   5.324  -1.307
   90    H    CYS  15           HN       CYS  15   2.729   2.095   0.443
   91    HA   CYS  15           HA       CYS  15   1.754   4.564  -0.588
   92    HB2  CYS  15           HB2      CYS  15   3.338   3.206  -1.865
   93    HB3  CYS  15           HB1      CYS  15   2.154   1.910  -1.979
   94    H    HIS  16           HN       HIS  16   0.260   1.496   0.186
   95    HA   HIS  16           HA       HIS  16  -2.229   2.368  -1.085
   96    HB2  HIS  16           HB2      HIS  16  -1.312  -0.294  -0.011
   97    HB3  HIS  16           HB1      HIS  16  -2.995   0.011  -0.442
   98    HD1  HIS  16           HD1      HIS  16  -3.177   1.013  -3.077
   99    HD2  HIS  16           HD2      HIS  16   0.113  -1.316  -2.046
  100    HE1  HIS  16           HE1      HIS  16  -2.248   0.148  -5.249
  101    HE2  HIS  16           HE2      HIS  16  -0.159  -1.111  -4.616
  102    H    LYS  17           HN       LYS  17  -0.755   2.794   1.779
  103    HA   LYS  17           HA       LYS  17  -1.389   3.385   3.873
  104    HB2  LYS  17           HB2      LYS  17  -3.823   4.204   2.302
  105    HB3  LYS  17           HB1      LYS  17  -3.637   4.553   4.013
  106    HG2  LYS  17           HG2      LYS  17  -1.547   5.782   3.485
  107    HG3  LYS  17           HG1      LYS  17  -1.880   5.519   1.771
  108    HD2  LYS  17           HD2      LYS  17  -3.956   6.751   1.946
  109    HD3  LYS  17           HD1      LYS  17  -3.736   6.929   3.687
  110    HE2  LYS  17           HE2      LYS  17  -3.110   8.983   2.615
  111    HE3  LYS  17           HE1      LYS  17  -1.660   8.208   3.246
  112    HZ1  LYS  17           HZ1      LYS  17  -2.573   8.200   0.416
  113    HZ2  LYS  17           HZ2      LYS  17  -1.222   7.360   0.997
  114    HZ3  LYS  17           HZ3      LYS  17  -1.251   9.054   1.049
  115    H    ASP  18           HN       ASP  18  -1.502   0.775   3.773
  116    HA   ASP  18           HA       ASP  18  -2.283  -1.062   4.836
  117    HB2  ASP  18           HB2      ASP  18  -3.861   1.049   6.292
  118    HB3  ASP  18           HB1      ASP  18  -3.970  -0.655   6.686
  119    H    VAL  19           HN       VAL  19  -3.829   0.343   2.528
  120    HA   VAL  19           HA       VAL  19  -5.670   0.008   1.273
  121    HB   VAL  19           HB       VAL  19  -5.904  -2.553   2.845
  122   HG11  VAL  19          HG11      VAL  19  -7.184  -1.746   0.240
  123   HG12  VAL  19          HG12      VAL  19  -8.012  -1.964   1.780
  124   HG13  VAL  19          HG13      VAL  19  -7.274  -3.347   0.975
  125   HG21  VAL  19          HG21      VAL  19  -4.813  -3.593   0.915
  126   HG22  VAL  19          HG22      VAL  19  -3.786  -2.345   1.623
  127   HG23  VAL  19          HG23      VAL  19  -4.684  -2.014   0.140
  128    H    ILE  20           HN       ILE  20  -6.348   1.845   2.581
  129    HA   ILE  20           HA       ILE  20  -8.463   1.387   4.506
  130    HB   ILE  20           HB       ILE  20  -6.868   3.272   4.761
  131   HG12  ILE  20          HG12      ILE  20  -8.563   4.985   5.309
  132   HG13  ILE  20          HG11      ILE  20  -9.768   4.072   4.413
  133   HG21  ILE  20          HG21      ILE  20  -8.278   4.381   2.338
  134   HG22  ILE  20          HG22      ILE  20  -6.601   3.847   2.417
  135   HG23  ILE  20          HG23      ILE  20  -7.120   5.255   3.344
  136   HD11  ILE  20          HD11      ILE  20  -9.979   3.710   6.800
  137   HD12  ILE  20          HD12      ILE  20  -8.312   3.141   6.875
  138   HD13  ILE  20          HD13      ILE  20  -9.521   2.220   5.979
  139    H    TRP  21           HN       TRP  21  -8.094   1.639   1.181
  140    HA   TRP  21           HA       TRP  21 -10.680   2.746   0.567
  141    HB2  TRP  21           HB2      TRP  21  -9.889   1.863  -1.806
  142    HB3  TRP  21           HB1      TRP  21  -9.227   3.332  -1.102
  143    HD1  TRP  21           HD1      TRP  21  -6.690   3.283  -0.309
  144    HE1  TRP  21           HE1      TRP  21  -4.747   1.679  -0.792
  145    HE3  TRP  21           HE3      TRP  21  -9.332  -0.650  -2.218
  146    HZ2  TRP  21           HZ2      TRP  21  -4.375  -0.906  -1.850
  147    HZ3  TRP  21           HZ3      TRP  21  -8.105  -2.653  -2.949
  148    HH2  TRP  21           HH2      TRP  21  -5.675  -2.776  -2.766
  149    H    VAL  22           HN       VAL  22 -11.280   0.776   2.152
  150    HA   VAL  22           HA       VAL  22 -11.763  -1.705   0.724
  151    HB   VAL  22           HB       VAL  22 -13.009  -1.118   3.372
  152   HG11  VAL  22          HG11      VAL  22 -11.650  -3.549   2.217
  153   HG12  VAL  22          HG12      VAL  22 -13.388  -3.283   2.357
  154   HG13  VAL  22          HG13      VAL  22 -12.404  -3.460   3.810
  155   HG21  VAL  22          HG21      VAL  22 -10.759  -0.154   3.495
  156   HG22  VAL  22          HG22      VAL  22 -10.081  -1.720   3.049
  157   HG23  VAL  22          HG23      VAL  22 -10.962  -1.542   4.566
  158    H    ASN  23           HN       ASN  23 -12.971   1.026   0.242
  159    HA   ASN  23           HA       ASN  23 -14.846   1.893  -0.662
  160    HB2  ASN  23           HB2      ASN  23 -15.837  -0.963  -0.545
  161    HB3  ASN  23           HB1      ASN  23 -16.703   0.362  -1.311
  162   HD21  ASN  23          HD21      ASN  23 -14.261   1.634  -2.285
  163   HD22  ASN  23          HD22      ASN  23 -13.716   0.667  -3.610
  164    H    ARG  24           HN       ARG  24 -14.366   1.230   2.266
  165    HA   ARG  24           HA       ARG  24 -16.610   2.714   3.209
  166    HB2  ARG  24           HB2      ARG  24 -17.338   1.115   4.922
  167    HB3  ARG  24           HB1      ARG  24 -17.579   0.454   3.314
  168    HG2  ARG  24           HG2      ARG  24 -16.740  -1.358   4.444
  169    HG3  ARG  24           HG1      ARG  24 -15.272  -0.687   3.732
  170    HD2  ARG  24           HD2      ARG  24 -14.781   0.456   5.847
  171    HD3  ARG  24           HD1      ARG  24 -16.245  -0.226   6.552
  172    HE   ARG  24           HE       ARG  24 -14.777  -2.372   5.634
  173   HH11  ARG  24          HH11      ARG  24 -14.279   0.245   7.927
  174   HH12  ARG  24          HH12      ARG  24 -13.272  -0.707   8.979
  175   HH21  ARG  24          HH21      ARG  24 -13.414  -3.605   7.010
  176   HH22  ARG  24          HH22      ARG  24 -12.761  -2.872   8.443
  177    H    ASN  25           HN       ASN  25 -16.198   3.508   5.389
  178    HA   ASN  25           HA       ASN  25 -13.328   3.347   6.037
  179    HB2  ASN  25           HB2      ASN  25 -14.319   5.609   5.420
  180    HB3  ASN  25           HB1      ASN  25 -15.233   5.511   6.923
  181   HD21  ASN  25          HD21      ASN  25 -14.136   5.628   8.892
  182   HD22  ASN  25          HD22      ASN  25 -12.508   6.222   8.999
  Start of MODEL    9
    1    H1   CYS   1           HT1      CYS   1   2.269   4.955  -5.881
    2    H2   CYS   1           HT2      CYS   1   2.680   6.598  -5.998
    3    H3   CYS   1           HT3      CYS   1   1.383   6.119  -5.016
    4    HA   CYS   1           HA       CYS   1   3.313   6.670  -3.707
    5    HB2  CYS   1           HB2      CYS   1   3.453   4.519  -2.439
    6    HB3  CYS   1           HB1      CYS   1   1.806   5.030  -2.786
    7    H    SER   2           HN       SER   2   5.425   6.971  -3.830
    8    HA   SER   2           HA       SER   2   6.965   5.461  -5.781
    9    HB2  SER   2           HB2      SER   2   7.680   7.860  -4.076
   10    HB3  SER   2           HB1      SER   2   8.749   7.130  -5.275
   11    HG   SER   2           HG       SER   2   7.797   8.520  -6.550
   12    H    CYS   3           HN       CYS   3   7.589   3.521  -5.048
   13    HA   CYS   3           HA       CYS   3   8.726   3.309  -2.371
   14    HB2  CYS   3           HB2      CYS   3   8.116   1.180  -4.440
   15    HB3  CYS   3           HB1      CYS   3   8.712   0.879  -2.810
   16    H    THR   4           HN       THR   4  10.728   4.164  -2.416
   17    HA   THR   4           HA       THR   4  12.555   3.291  -4.543
   18    HB   THR   4           HB       THR   4  12.763   5.847  -2.994
   19    HG1  THR   4           HG1      THR   4  11.484   5.242  -5.450
   20   HG21  THR   4          HG21      THR   4  14.320   6.495  -4.786
   21   HG22  THR   4          HG22      THR   4  14.113   4.906  -5.521
   22   HG23  THR   4          HG23      THR   4  14.871   5.050  -3.936
   23    H    ASP   5           HN       ASP   5  14.192   2.098  -3.888
   24    HA   ASP   5           HA       ASP   5  15.734   1.053  -2.598
   25    HB2  ASP   5           HB2      ASP   5  16.467   3.416  -2.168
   26    HB3  ASP   5           HB1      ASP   5  15.460   3.418  -0.724
   27    H    MET   6           HN       MET   6  12.777   0.935  -2.164
   28    HA   MET   6           HA       MET   6  12.732  -0.104   0.576
   29    HB2  MET   6           HB2      MET   6  11.307   1.891   0.106
   30    HB3  MET   6           HB1      MET   6  10.422   0.931  -1.067
   31    HG2  MET   6           HG2      MET   6   9.431  -0.363   0.547
   32    HG3  MET   6           HG1      MET   6  10.687  -0.012   1.726
   33    HE1  MET   6           HE1      MET   6   7.808   1.753  -0.377
   34    HE2  MET   6           HE2      MET   6   9.221   2.803  -0.454
   35    HE3  MET   6           HE3      MET   6   7.789   3.318   0.436
   36    H    SER   7           HN       SER   7  12.131  -2.174   0.883
   37    HA   SER   7           HA       SER   7  12.154  -3.808  -1.496
   38    HB2  SER   7           HB2      SER   7  12.305  -4.605   1.415
   39    HB3  SER   7           HB1      SER   7  12.610  -5.655   0.031
   40    HG   SER   7           HG       SER   7  14.086  -3.316   0.719
   41    H    ASP   8           HN       ASP   8  10.268  -3.967  -2.388
   42    HA   ASP   8           HA       ASP   8   8.020  -4.401  -2.718
   43    HB2  ASP   8           HB2      ASP   8   9.281  -6.907  -1.642
   44    HB3  ASP   8           HB1      ASP   8   7.682  -6.886  -2.374
   45    H    LEU   9           HN       LEU   9   8.477  -6.337   0.204
   46    HA   LEU   9           HA       LEU   9   5.807  -6.224   1.009
   47    HB2  LEU   9           HB2      LEU   9   7.396  -7.878   1.852
   48    HB3  LEU   9           HB1      LEU   9   8.280  -6.619   2.690
   49    HG   LEU   9           HG       LEU   9   6.281  -6.207   4.105
   50   HD11  LEU   9          HD11      LEU   9   4.577  -7.030   2.568
   51   HD12  LEU   9          HD12      LEU   9   4.487  -7.856   4.125
   52   HD13  LEU   9          HD13      LEU   9   5.210  -8.669   2.736
   53   HD21  LEU   9          HD21      LEU   9   6.531  -8.223   5.460
   54   HD22  LEU   9          HD22      LEU   9   8.093  -7.651   4.870
   55   HD23  LEU   9          HD23      LEU   9   7.316  -9.039   4.106
   56    H    GLU  10           HN       GLU  10   8.566  -4.220   1.997
   57    HA   GLU  10           HA       GLU  10   7.127  -2.659   3.880
   58    HB2  GLU  10           HB2      GLU  10   9.704  -2.934   3.509
   59    HB3  GLU  10           HB1      GLU  10   9.504  -1.599   2.383
   60    HG2  GLU  10           HG2      GLU  10  10.200  -0.831   4.589
   61    HG3  GLU  10           HG1      GLU  10   8.611  -0.200   4.152
   62    H    CYS  11           HN       CYS  11   7.649  -2.422   0.436
   63    HA   CYS  11           HA       CYS  11   6.582   0.149  -0.036
   64    HB2  CYS  11           HB2      CYS  11   7.789  -1.078  -1.768
   65    HB3  CYS  11           HB1      CYS  11   6.573  -2.348  -1.749
   66    H    MET  12           HN       MET  12   5.092  -3.063   0.150
   67    HA   MET  12           HA       MET  12   2.479  -2.127  -0.410
   68    HB2  MET  12           HB2      MET  12   3.384  -4.656   0.981
   69    HB3  MET  12           HB1      MET  12   1.732  -4.331   0.475
   70    HG2  MET  12           HG2      MET  12   2.617  -4.085  -1.868
   71    HG3  MET  12           HG1      MET  12   4.150  -4.706  -1.263
   72    HE1  MET  12           HE1      MET  12   3.188  -6.850   0.904
   73    HE2  MET  12           HE2      MET  12   4.473  -7.154  -0.266
   74    HE3  MET  12           HE3      MET  12   3.158  -8.313  -0.080
   75    H    ASN  13           HN       ASN  13   4.282  -2.648   2.581
   76    HA   ASN  13           HA       ASN  13   2.216  -2.250   4.413
   77    HB2  ASN  13           HB2      ASN  13   5.136  -1.489   4.631
   78    HB3  ASN  13           HB1      ASN  13   4.003  -1.431   5.973
   79   HD21  ASN  13          HD21      ASN  13   6.415  -2.934   5.785
   80   HD22  ASN  13          HD22      ASN  13   5.985  -4.609   5.921
   81    H    PHE  14           HN       PHE  14   4.140   0.091   2.621
   82    HA   PHE  14           HA       PHE  14   2.974   2.288   4.129
   83    HB2  PHE  14           HB2      PHE  14   4.940   3.267   3.766
   84    HB3  PHE  14           HB1      PHE  14   5.458   1.847   2.875
   85    HD1  PHE  14           HD2      PHE  14   5.054   1.793   0.371
   86    HD2  PHE  14           HD1      PHE  14   4.650   5.323   2.712
   87    HE1  PHE  14           HE2      PHE  14   5.226   3.163  -1.666
   88    HE2  PHE  14           HE1      PHE  14   4.818   6.695   0.683
   89    HZ   PHE  14           HZ       PHE  14   5.232   5.615  -1.500
   90    H    CYS  15           HN       CYS  15   2.604   0.774   1.010
   91    HA   CYS  15           HA       CYS  15   1.126   3.082   0.005
   92    HB2  CYS  15           HB2      CYS  15   2.792   1.848  -1.424
   93    HB3  CYS  15           HB1      CYS  15   1.682   0.482  -1.430
   94    H    HIS  16           HN       HIS  16   0.516  -0.075   1.344
   95    HA   HIS  16           HA       HIS  16  -2.177  -0.193   0.275
   96    HB2  HIS  16           HB2      HIS  16  -0.561  -2.008   2.031
   97    HB3  HIS  16           HB1      HIS  16  -2.301  -2.226   1.894
   98    HD1  HIS  16           HD1      HIS  16  -2.195  -4.444   0.663
   99    HD2  HIS  16           HD2      HIS  16  -0.090  -1.400  -1.244
  100    HE1  HIS  16           HE1      HIS  16  -1.571  -5.357  -1.600
  101    HE2  HIS  16           HE2      HIS  16  -0.468  -3.437  -2.799
  102    H    LYS  17           HN       LYS  17  -1.081   1.828   2.404
  103    HA   LYS  17           HA       LYS  17  -3.192   1.471   4.381
  104    HB2  LYS  17           HB2      LYS  17  -2.194   3.368   5.563
  105    HB3  LYS  17           HB1      LYS  17  -0.976   2.144   5.224
  106    HG2  LYS  17           HG2      LYS  17  -0.012   3.415   3.510
  107    HG3  LYS  17           HG1      LYS  17  -1.408   4.489   3.413
  108    HD2  LYS  17           HD2      LYS  17  -0.880   5.365   5.640
  109    HD3  LYS  17           HD1      LYS  17   0.526   4.297   5.722
  110    HE2  LYS  17           HE2      LYS  17   1.111   6.601   5.061
  111    HE3  LYS  17           HE1      LYS  17   1.532   5.409   3.833
  112    HZ1  LYS  17           HZ1      LYS  17   0.537   7.284   2.779
  113    HZ2  LYS  17           HZ2      LYS  17  -0.804   7.247   3.813
  114    HZ3  LYS  17           HZ3      LYS  17  -0.568   6.003   2.682
  115    H    ASP  18           HN       ASP  18  -3.066   2.492   1.434
  116    HA   ASP  18           HA       ASP  18  -4.999   4.662   1.881
  117    HB2  ASP  18           HB2      ASP  18  -3.077   4.265  -0.417
  118    HB3  ASP  18           HB1      ASP  18  -4.345   5.463  -0.372
  119    H    VAL  19           HN       VAL  19  -5.249   1.665   1.616
  120    HA   VAL  19           HA       VAL  19  -6.459   1.125  -0.876
  121    HB   VAL  19           HB       VAL  19  -7.351  -0.912   0.159
  122   HG11  VAL  19          HG11      VAL  19  -4.474  -0.348   0.847
  123   HG12  VAL  19          HG12      VAL  19  -5.083  -0.884  -0.718
  124   HG13  VAL  19          HG13      VAL  19  -5.203  -1.946   0.684
  125   HG21  VAL  19          HG21      VAL  19  -6.144   0.176   2.692
  126   HG22  VAL  19          HG22      VAL  19  -6.802  -1.447   2.481
  127   HG23  VAL  19          HG23      VAL  19  -7.863  -0.044   2.366
  128    H    ILE  20           HN       ILE  20  -8.339   1.740  -1.631
  129    HA   ILE  20           HA       ILE  20 -10.125   3.251   0.023
  130    HB   ILE  20           HB       ILE  20  -9.542   3.427  -2.578
  131   HG12  ILE  20          HG12      ILE  20 -11.582   4.815  -2.811
  132   HG13  ILE  20          HG11      ILE  20 -12.197   4.121  -1.312
  133   HG21  ILE  20          HG21      ILE  20 -11.394   2.638  -3.960
  134   HG22  ILE  20          HG22      ILE  20 -12.117   1.858  -2.551
  135   HG23  ILE  20          HG23      ILE  20 -10.566   1.293  -3.171
  136   HD11  ILE  20          HD11      ILE  20 -10.310   5.070  -0.094
  137   HD12  ILE  20          HD12      ILE  20 -11.214   6.320  -0.951
  138   HD13  ILE  20          HD13      ILE  20  -9.675   5.744  -1.597
  139    H    TRP  21           HN       TRP  21  -9.820   0.002  -0.878
  140    HA   TRP  21           HA       TRP  21 -12.594  -0.673  -0.308
  141    HB2  TRP  21           HB2      TRP  21 -11.651  -3.041  -0.815
  142    HB3  TRP  21           HB1      TRP  21 -11.847  -1.893  -2.131
  143    HD1  TRP  21           HD1      TRP  21  -9.615  -0.880  -3.232
  144    HE1  TRP  21           HE1      TRP  21  -7.175  -1.709  -3.240
  145    HE3  TRP  21           HE3      TRP  21  -9.902  -4.255   0.590
  146    HZ2  TRP  21           HZ2      TRP  21  -5.594  -3.569  -1.822
  147    HZ3  TRP  21           HZ3      TRP  21  -7.888  -5.531   1.196
  148    HH2  TRP  21           HH2      TRP  21  -5.779  -5.192   0.013
  149    H    VAL  22           HN       VAL  22 -11.016   0.423   1.753
  150    HA   VAL  22           HA       VAL  22  -9.974  -1.536   3.487
  151    HB   VAL  22           HB       VAL  22  -9.252   0.702   3.791
  152   HG11  VAL  22          HG11      VAL  22 -12.122   1.473   4.296
  153   HG12  VAL  22          HG12      VAL  22 -11.197   1.827   2.835
  154   HG13  VAL  22          HG13      VAL  22 -10.725   2.550   4.375
  155   HG21  VAL  22          HG21      VAL  22  -9.717   1.123   6.154
  156   HG22  VAL  22          HG22      VAL  22  -9.418  -0.590   5.850
  157   HG23  VAL  22          HG23      VAL  22 -11.066  -0.010   6.091
  158    H    ASN  23           HN       ASN  23 -11.293  -3.192   3.887
  159    HA   ASN  23           HA       ASN  23 -13.411  -2.715   5.808
  160    HB2  ASN  23           HB2      ASN  23 -14.618  -2.818   3.660
  161    HB3  ASN  23           HB1      ASN  23 -13.859  -4.366   3.311
  162   HD21  ASN  23          HD21      ASN  23 -16.287  -2.708   5.141
  163   HD22  ASN  23          HD22      ASN  23 -17.064  -4.124   5.782
  164    H    ARG  24           HN       ARG  24 -12.600  -5.545   3.896
  165    HA   ARG  24           HA       ARG  24 -10.674  -6.648   5.618
  166    HB2  ARG  24           HB2      ARG  24 -12.905  -6.841   6.969
  167    HB3  ARG  24           HB1      ARG  24 -13.283  -8.134   5.841
  168    HG2  ARG  24           HG2      ARG  24 -11.292  -9.344   6.526
  169    HG3  ARG  24           HG1      ARG  24 -10.852  -8.028   7.615
  170    HD2  ARG  24           HD2      ARG  24 -13.106  -8.403   8.728
  171    HD3  ARG  24           HD1      ARG  24 -13.196  -9.900   7.802
  172    HE   ARG  24           HE       ARG  24 -10.799  -9.526   9.398
  173   HH11  ARG  24          HH11      ARG  24 -13.969 -10.980   9.112
  174   HH12  ARG  24          HH12      ARG  24 -13.703 -12.111  10.409
  175   HH21  ARG  24          HH21      ARG  24 -10.448 -10.994  11.110
  176   HH22  ARG  24          HH22      ARG  24 -11.706 -12.117  11.551
  177    H    ASN  25           HN       ASN  25  -9.560  -7.327   3.862
  178    HA   ASN  25           HA       ASN  25 -11.013  -8.837   1.802
  179    HB2  ASN  25           HB2      ASN  25  -9.653  -6.847   1.108
  180    HB3  ASN  25           HB1      ASN  25  -8.215  -7.705   1.656
  181   HD21  ASN  25          HD21      ASN  25 -10.712  -7.537  -0.750
  182   HD22  ASN  25          HD22      ASN  25  -9.988  -8.641  -1.873
  Start of MODEL   10
    1    H1   CYS   1           HT1      CYS   1   1.599   6.218  -6.427
    2    H2   CYS   1           HT2      CYS   1   2.175   5.049  -7.505
    3    H3   CYS   1           HT3      CYS   1   3.125   6.403  -7.143
    4    HA   CYS   1           HA       CYS   1   3.203   5.662  -4.808
    5    HB2  CYS   1           HB2      CYS   1   1.214   4.227  -4.867
    6    HB3  CYS   1           HB1      CYS   1   1.999   3.163  -6.031
    7    H    SER   2           HN       SER   2   5.336   5.925  -5.049
    8    HA   SER   2           HA       SER   2   6.806   4.023  -6.753
    9    HB2  SER   2           HB2      SER   2   7.673   6.744  -5.746
   10    HB3  SER   2           HB1      SER   2   8.569   5.714  -6.860
   11    HG   SER   2           HG       SER   2   6.358   5.881  -8.054
   12    H    CYS   3           HN       CYS   3   8.396   2.772  -5.899
   13    HA   CYS   3           HA       CYS   3   8.633   2.799  -2.987
   14    HB2  CYS   3           HB2      CYS   3   9.702   0.679  -4.837
   15    HB3  CYS   3           HB1      CYS   3   9.326   0.544  -3.127
   16    H    THR   4           HN       THR   4  10.247   4.052  -2.295
   17    HA   THR   4           HA       THR   4  12.869   3.736  -3.588
   18    HB   THR   4           HB       THR   4  11.919   6.214  -2.191
   19    HG1  THR   4           HG1      THR   4  11.583   5.335  -4.798
   20   HG21  THR   4          HG21      THR   4  14.340   5.940  -2.186
   21   HG22  THR   4          HG22      THR   4  13.880   7.243  -3.284
   22   HG23  THR   4          HG23      THR   4  14.325   5.665  -3.929
   23    H    ASP   5           HN       ASP   5  14.392   2.950  -2.310
   24    HA   ASP   5           HA       ASP   5  15.468   2.119  -0.485
   25    HB2  ASP   5           HB2      ASP   5  13.979   4.334   0.933
   26    HB3  ASP   5           HB1      ASP   5  15.174   3.309   1.714
   27    H    MET   6           HN       MET   6  12.666   1.341  -1.270
   28    HA   MET   6           HA       MET   6  11.874  -0.001   1.219
   29    HB2  MET   6           HB2      MET   6  10.396   1.751  -0.439
   30    HB3  MET   6           HB1      MET   6   9.728   0.137  -0.668
   31    HG2  MET   6           HG2      MET   6   8.507   1.001   1.091
   32    HG3  MET   6           HG1      MET   6   9.713  -0.015   1.864
   33    HE1  MET   6           HE1      MET   6   8.377   3.620   1.342
   34    HE2  MET   6           HE2      MET   6   9.810   3.562   0.312
   35    HE3  MET   6           HE3      MET   6   9.800   4.582   1.753
   36    H    SER   7           HN       SER   7  11.339  -2.185   1.070
   37    HA   SER   7           HA       SER   7  12.080  -3.567  -1.333
   38    HB2  SER   7           HB2      SER   7  12.657  -4.437   0.951
   39    HB3  SER   7           HB1      SER   7  10.937  -4.658   1.258
   40    HG   SER   7           HG       SER   7  12.217  -6.534   0.453
   41    H    ASP   8           HN       ASP   8  10.345  -5.515  -1.607
   42    HA   ASP   8           HA       ASP   8   8.251  -4.134  -2.960
   43    HB2  ASP   8           HB2      ASP   8   7.648  -6.187  -3.942
   44    HB3  ASP   8           HB1      ASP   8   9.395  -6.267  -3.762
   45    H    LEU   9           HN       LEU   9   8.359  -6.269  -0.141
   46    HA   LEU   9           HA       LEU   9   5.555  -6.117   0.360
   47    HB2  LEU   9           HB2      LEU   9   6.930  -7.968   1.214
   48    HB3  LEU   9           HB1      LEU   9   7.817  -6.845   2.229
   49    HG   LEU   9           HG       LEU   9   5.688  -6.324   3.426
   50   HD11  LEU   9          HD11      LEU   9   3.823  -7.910   3.173
   51   HD12  LEU   9          HD12      LEU   9   4.641  -8.626   1.784
   52   HD13  LEU   9          HD13      LEU   9   4.099  -6.948   1.721
   53   HD21  LEU   9          HD21      LEU   9   6.557  -9.211   3.441
   54   HD22  LEU   9          HD22      LEU   9   5.641  -8.401   4.713
   55   HD23  LEU   9          HD23      LEU   9   7.292  -7.895   4.355
   56    H    GLU  10           HN       GLU  10   8.399  -4.436   1.617
   57    HA   GLU  10           HA       GLU  10   7.086  -2.946   3.601
   58    HB2  GLU  10           HB2      GLU  10   9.572  -3.287   3.366
   59    HB3  GLU  10           HB1      GLU  10   9.547  -2.084   2.084
   60    HG2  GLU  10           HG2      GLU  10  10.240  -1.090   4.177
   61    HG3  GLU  10           HG1      GLU  10   8.692  -0.423   3.659
   62    H    CYS  11           HN       CYS  11   7.667  -2.323   0.183
   63    HA   CYS  11           HA       CYS  11   6.689   0.318   0.128
   64    HB2  CYS  11           HB2      CYS  11   7.967  -0.778  -1.731
   65    HB3  CYS  11           HB1      CYS  11   6.523  -1.718  -2.103
   66    H    MET  12           HN       MET  12   5.103  -2.818  -0.210
   67    HA   MET  12           HA       MET  12   2.547  -1.722  -0.796
   68    HB2  MET  12           HB2      MET  12   3.355  -4.445   0.227
   69    HB3  MET  12           HB1      MET  12   1.707  -4.009  -0.213
   70    HG2  MET  12           HG2      MET  12   2.554  -3.443  -2.492
   71    HG3  MET  12           HG1      MET  12   4.109  -4.118  -2.012
   72    HE1  MET  12           HE1      MET  12   3.323  -6.573  -0.218
   73    HE2  MET  12           HE2      MET  12   4.545  -6.635  -1.487
   74    HE3  MET  12           HE3      MET  12   3.284  -7.866  -1.418
   75    H    ASN  13           HN       ASN  13   4.300  -2.341   2.139
   76    HA   ASN  13           HA       ASN  13   2.164  -2.248   3.955
   77    HB2  ASN  13           HB2      ASN  13   5.051  -1.423   4.255
   78    HB3  ASN  13           HB1      ASN  13   3.904  -1.366   5.587
   79   HD21  ASN  13          HD21      ASN  13   6.325  -2.886   5.327
   80   HD22  ASN  13          HD22      ASN  13   5.878  -4.557   5.485
   81    H    PHE  14           HN       PHE  14   4.397   0.416   3.085
   82    HA   PHE  14           HA       PHE  14   2.791   2.325   4.451
   83    HB2  PHE  14           HB2      PHE  14   4.384   3.925   3.872
   84    HB3  PHE  14           HB1      PHE  14   5.326   2.444   3.895
   85    HD1  PHE  14           HD2      PHE  14   6.160   1.467   1.831
   86    HD2  PHE  14           HD1      PHE  14   3.986   5.125   1.814
   87    HE1  PHE  14           HE2      PHE  14   6.939   1.912  -0.457
   88    HE2  PHE  14           HE1      PHE  14   4.752   5.564  -0.485
   89    HZ   PHE  14           HZ       PHE  14   6.268   4.048  -1.588
   90    H    CYS  15           HN       CYS  15   2.766   1.080   1.219
   91    HA   CYS  15           HA       CYS  15   1.306   3.336   0.142
   92    HB2  CYS  15           HB2      CYS  15   3.022   2.037  -1.147
   93    HB3  CYS  15           HB1      CYS  15   1.896   0.685  -1.181
   94    H    HIS  16           HN       HIS  16   0.563   0.077   1.281
   95    HA   HIS  16           HA       HIS  16  -2.165   0.367   0.239
   96    HB2  HIS  16           HB2      HIS  16  -0.671  -2.075   1.188
   97    HB3  HIS  16           HB1      HIS  16  -2.385  -2.083   0.791
   98    HD1  HIS  16           HD1      HIS  16  -0.511  -3.889  -0.768
   99    HD2  HIS  16           HD2      HIS  16  -1.475  -0.012  -1.937
  100    HE1  HIS  16           HE1      HIS  16  -0.112  -3.807  -3.252
  101    HE2  HIS  16           HE2      HIS  16  -0.928  -1.529  -3.961
  102    H    LYS  17           HN       LYS  17  -0.654   1.151   3.006
  103    HA   LYS  17           HA       LYS  17  -2.691   0.231   4.826
  104    HB2  LYS  17           HB2      LYS  17  -1.592   1.569   6.508
  105    HB3  LYS  17           HB1      LYS  17  -0.383   0.643   5.623
  106    HG2  LYS  17           HG2      LYS  17   0.148   2.617   4.287
  107    HG3  LYS  17           HG1      LYS  17  -1.068   3.541   5.171
  108    HD2  LYS  17           HD2      LYS  17   0.207   2.992   7.272
  109    HD3  LYS  17           HD1      LYS  17   1.487   2.356   6.236
  110    HE2  LYS  17           HE2      LYS  17   1.965   4.651   6.881
  111    HE3  LYS  17           HE1      LYS  17   1.674   4.543   5.144
  112    HZ1  LYS  17           HZ1      LYS  17   0.551   6.445   6.148
  113    HZ2  LYS  17           HZ2      LYS  17  -0.322   5.409   7.168
  114    HZ3  LYS  17           HZ3      LYS  17  -0.569   5.351   5.489
  115    H    ASP  18           HN       ASP  18  -2.529   2.408   2.514
  116    HA   ASP  18           HA       ASP  18  -4.901   3.786   3.509
  117    HB2  ASP  18           HB2      ASP  18  -2.653   5.088   1.977
  118    HB3  ASP  18           HB1      ASP  18  -4.165   5.843   2.424
  119    H    VAL  19           HN       VAL  19  -5.973   2.189   2.277
  120    HA   VAL  19           HA       VAL  19  -5.210   1.603  -0.370
  121    HB   VAL  19           HB       VAL  19  -7.203   0.280  -0.565
  122   HG11  VAL  19          HG11      VAL  19  -5.922   0.111   2.151
  123   HG12  VAL  19          HG12      VAL  19  -5.350  -0.636   0.659
  124   HG13  VAL  19          HG13      VAL  19  -6.863  -1.174   1.387
  125   HG21  VAL  19          HG21      VAL  19  -8.877   0.193   1.209
  126   HG22  VAL  19          HG22      VAL  19  -8.808   1.784   0.448
  127   HG23  VAL  19          HG23      VAL  19  -8.071   1.529   2.029
  128    H    ILE  20           HN       ILE  20  -5.175   3.045  -1.878
  129    HA   ILE  20           HA       ILE  20  -7.098   5.144  -2.117
  130    HB   ILE  20           HB       ILE  20  -4.669   5.214  -2.889
  131   HG12  ILE  20          HG12      ILE  20  -5.216   6.629  -4.860
  132   HG13  ILE  20          HG11      ILE  20  -6.873   6.044  -4.786
  133   HG21  ILE  20          HG21      ILE  20  -4.256   4.443  -5.190
  134   HG22  ILE  20          HG22      ILE  20  -5.846   3.671  -5.190
  135   HG23  ILE  20          HG23      ILE  20  -4.595   3.120  -4.076
  136   HD11  ILE  20          HD11      ILE  20  -5.455   7.595  -2.636
  137   HD12  ILE  20          HD12      ILE  20  -7.118   7.018  -2.570
  138   HD13  ILE  20          HD13      ILE  20  -6.653   8.235  -3.759
  139    H    TRP  21           HN       TRP  21  -6.947   1.890  -2.994
  140    HA   TRP  21           HA       TRP  21  -8.675   2.110  -5.284
  141    HB2  TRP  21           HB2      TRP  21  -8.533  -0.408  -5.271
  142    HB3  TRP  21           HB1      TRP  21  -7.028   0.459  -5.490
  143    HD1  TRP  21           HD1      TRP  21  -5.101  -0.011  -3.818
  144    HE1  TRP  21           HE1      TRP  21  -4.814  -1.618  -1.824
  145    HE3  TRP  21           HE3      TRP  21  -9.959  -1.451  -3.213
  146    HZ2  TRP  21           HZ2      TRP  21  -6.432  -3.273  -0.217
  147    HZ3  TRP  21           HZ3      TRP  21 -10.514  -3.048  -1.428
  148    HH2  TRP  21           HH2      TRP  21  -8.782  -3.939   0.043
  149    H    VAL  22           HN       VAL  22  -9.488   2.863  -2.560
  150    HA   VAL  22           HA       VAL  22 -11.534   1.072  -1.749
  151    HB   VAL  22           HB       VAL  22 -10.529   2.634  -0.163
  152   HG11  VAL  22          HG11      VAL  22 -10.107   4.452  -1.744
  153   HG12  VAL  22          HG12      VAL  22 -10.935   5.026  -0.293
  154   HG13  VAL  22          HG13      VAL  22 -11.836   4.807  -1.796
  155   HG21  VAL  22          HG21      VAL  22 -13.462   3.198  -0.614
  156   HG22  VAL  22          HG22      VAL  22 -12.572   3.527   0.874
  157   HG23  VAL  22          HG23      VAL  22 -12.786   1.866   0.321
  158    H    ASN  23           HN       ASN  23 -11.177   3.294  -4.147
  159    HA   ASN  23           HA       ASN  23 -14.034   3.611  -4.655
  160    HB2  ASN  23           HB2      ASN  23 -13.291   5.156  -6.486
  161    HB3  ASN  23           HB1      ASN  23 -12.807   5.659  -4.875
  162   HD21  ASN  23          HD21      ASN  23 -11.294   3.258  -7.024
  163   HD22  ASN  23          HD22      ASN  23  -9.778   4.083  -7.154
  164    H    ARG  24           HN       ARG  24 -12.069   1.244  -5.024
  165    HA   ARG  24           HA       ARG  24 -11.820  -0.553  -6.356
  166    HB2  ARG  24           HB2      ARG  24 -14.448   0.415  -7.481
  167    HB3  ARG  24           HB1      ARG  24 -13.735  -1.159  -7.816
  168    HG2  ARG  24           HG2      ARG  24 -13.776  -1.612  -5.356
  169    HG3  ARG  24           HG1      ARG  24 -14.692  -0.116  -5.163
  170    HD2  ARG  24           HD2      ARG  24 -16.211  -1.982  -5.232
  171    HD3  ARG  24           HD1      ARG  24 -16.410  -1.009  -6.689
  172    HE   ARG  24           HE       ARG  24 -14.627  -3.308  -6.874
  173   HH11  ARG  24          HH11      ARG  24 -17.758  -1.897  -7.524
  174   HH12  ARG  24          HH12      ARG  24 -18.226  -3.123  -8.666
  175   HH21  ARG  24          HH21      ARG  24 -15.220  -4.928  -8.378
  176   HH22  ARG  24          HH22      ARG  24 -16.778  -4.868  -9.138
  177    H    ASN  25           HN       ASN  25 -10.256   1.448  -7.121
  178    HA   ASN  25           HA       ASN  25  -9.692   0.818  -9.821
  179    HB2  ASN  25           HB2      ASN  25 -11.531   2.496 -10.154
  180    HB3  ASN  25           HB1      ASN  25 -10.530   3.686  -9.324
  181   HD21  ASN  25          HD21      ASN  25 -10.396   5.008 -11.119
  182   HD22  ASN  25          HD22      ASN  25  -9.477   4.587 -12.524