*HEADER    TOXIN                                   17-NOV-03   1V4Q              
*TITLE     THREE-DIMENSIONAL SOLUTION STRUCTURE OF THE ANALOGUE                  
*TITLE    2 PEPTIDE OF OMEGA-CONOTOXIN MVIIC                                     
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: OMEGA-CONOTOXIN MVIIC;                                     
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MUTATION: YES                                                        
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS PEPTIDE WAS CHEMICALLY SYNTHESIZED.              
*KEYWDS    OMEGA-CONOTOXIN, CYSTINE KNOT MOTIF, TRIPLE-STRANDED                  
*KEYWDS   2 ANTIPARALLEL BETA-SHEET, CALCIUM CHANNEL BLOCKER                     
*EXPDTA    NMR, 18 STRUCTURES                                                    
*AUTHOR    K.KOBAYASHI, T.SASAKI, K.SATO, T.KOHNO                                
*REVDAT   1   01-MAR-05 1V4Q    0                                                

 ASSI {  584}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 16   and name HN  ))
      4.000     2.000     2.000 peak   584 weight  0.10000E+01 volume  0.10384E-02 ppm1      4.623 ppm2      9.743 CV     1
 ASSI {  682}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 16   and name HN  ))
      4.800     2.900     1.200 peak   682 weight  0.10000E+01 volume  0.68271E-03 ppm1      3.314 ppm2      9.743 CV     1
 ASSI {  813}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      2.500     0.800     0.800 peak   813 weight  0.10000E+01 volume  0.41812E-02 ppm1      3.098 ppm2      9.742 CV     1
 ASSI {  811}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 16   and name HN  ))
      3.200     1.300     1.300 peak   811 weight  0.10000E+01 volume  0.20469E-02 ppm1      3.132 ppm2      9.742 CV     1
 ASSI {  489}
   (( segid "    " and resid 3    and name HA1 ))
   (( segid "    " and resid 16   and name HN  ))
      4.800     2.900     1.200 peak   489 weight  0.10000E+01 volume  0.38068E-03 ppm1      4.122 ppm2      9.742 CV     1
 ASSI {  306}
   (( segid "    " and resid 3    and name HA2 ))
   (( segid "    " and resid 16   and name HN  ))
      4.100     2.100     1.900 peak   306 weight  0.10000E+01 volume  0.23215E-03 ppm1      3.807 ppm2      9.741 CV     1
 ASSI {  101}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 16   and name HN  ))
      5.000     3.100     1.000 peak   101 weight  0.10000E+01 volume  0.17349E-03 ppm1      8.145 ppm2      9.739 CV     1
 ASSI {  334}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 2    and name HN  ))
      5.300     3.500     0.700 peak   334 weight  0.10000E+01 volume  0.20469E-03 ppm1      3.132 ppm2      9.252 CV     1
 ASSI {  270}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.000     0.500     0.500 peak   270 weight  0.10000E+01 volume  0.15477E-01 ppm1      4.622 ppm2      9.252 CV     1
 ASSI {  670}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.900     1.000     1.000 peak   670 weight  0.10000E+01 volume  0.22092E-02 ppm1      4.528 ppm2      9.251 CV     1
 ASSI {  512}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 2    and name HN  ))
      4.300     2.300     1.700 peak   512 weight  0.10000E+01 volume  0.25212E-03 ppm1      2.784 ppm2      9.251 CV     1
 ASSI {   72}
   (( segid "    " and resid 15   and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      4.500     2.500     1.500 peak    72 weight  0.10000E+01 volume  0.23590E-03 ppm1      8.421 ppm2      9.251 CV     1
 ASSI {  358}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 2    and name HN  ))
      5.500     3.800     0.500 peak   358 weight  0.10000E+01 volume  0.27209E-03 ppm1      2.609 ppm2      9.251 CV     1
 ASSI {    4}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 2    and name HN  ))
      2.500     0.800     0.800 peak     4 weight  0.10000E+01 volume  0.47305E-02 ppm1      9.738 ppm2      9.251 CV     1
 ASSI {  723}
   (( segid "    " and resid 15   and name HA  ))
   (( segid "    " and resid 2    and name HN  ))
      2.600     0.900     0.900 peak   723 weight  0.10000E+01 volume  0.34074E-02 ppm1      4.926 ppm2      9.251 CV     1
 ASSI {  905}
   (( segid "    " and resid 2    and name HE2 ))
   (( segid "    " and resid 2    and name HN  ))
      3.100     1.200     1.200 peak   905 weight  0.10000E+01 volume  0.49926E-02 ppm1      3.062 ppm2      9.251 CV     1
 OR {  905}
   (( segid "    " and resid 2    and name HE1 ))
   (( segid "    " and resid 2    and name HN  ))
 ASSI {  903}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 2    and name HN  ))
      2.300     0.600     0.600 peak   903 weight  0.10000E+01 volume  0.58410E-02 ppm1      3.094 ppm2      9.251 CV     1
 ASSI {  802}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 2    and name HN  ))
      3.700     1.700     1.700 peak   802 weight  0.10000E+01 volume  0.26585E-02 ppm1      3.283 ppm2      9.251 CV     1
 ASSI {  665}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name HN  ))
      2.700     0.900     0.900 peak   665 weight  0.10000E+01 volume  0.34323E-02 ppm1      4.611 ppm2      8.932 CV     1
 ASSI {  130}
   (( segid "    " and resid 26   and name H2  ))
   (( segid "    " and resid 5    and name HN  ))
      3.500     1.500     1.500 peak   130 weight  0.10000E+01 volume  0.69020E-03 ppm1      7.449 ppm2      8.917 CV     1
 ASSI {  113}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      2.300     0.700     0.700 peak   113 weight  0.10000E+01 volume  0.76135E-02 ppm1      7.840 ppm2      8.915 CV     1
 ASSI {  894}
   (( segid "    " and resid 5    and name HA1 ))
   (( segid "    " and resid 5    and name HN  ))
      3.000     1.100     1.100 peak   894 weight  0.10000E+01 volume  0.33450E-02 ppm1      4.320 ppm2      8.910 CV     1
 ASSI {  741}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HN  ))
      1.900     0.500     0.500 peak   741 weight  0.10000E+01 volume  0.17723E-01 ppm1      3.688 ppm2      8.910 CV     1
 ASSI { 1000}
   (( segid "    " and resid 5    and name HA2 ))
   (( segid "    " and resid 5    and name HN  ))
      2.200     0.600     0.600 peak  1000 weight  0.10000E+01 volume  0.81503E-02 ppm1      3.609 ppm2      8.910 CV     1
 ASSI {  391}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 5    and name HN  ))
      5.300     3.600     0.700 peak   391 weight  0.10000E+01 volume  0.23090E-03 ppm1      1.696 ppm2      8.908 CV     1
 ASSI { 1029}
   (( segid "    " and resid 3    and name HA2 ))
   (( segid "    " and resid 3    and name HN  ))
      2.400     0.700     0.700 peak  1029 weight  0.10000E+01 volume  0.84124E-02 ppm1      3.805 ppm2      8.865 CV     1
 ASSI {  989}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 3    and name HN  ))
      2.200     0.600     0.600 peak   989 weight  0.10000E+01 volume  0.13854E-01 ppm1      4.529 ppm2      8.865 CV     1
 ASSI {  897}
   (( segid "    " and resid 3    and name HA1 ))
   (( segid "    " and resid 3    and name HN  ))
      2.500     0.800     0.800 peak   897 weight  0.10000E+01 volume  0.39316E-02 ppm1      4.090 ppm2      8.865 CV     1
 ASSI {   17}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      4.400     2.400     1.600 peak    17 weight  0.10000E+01 volume  0.62529E-03 ppm1      9.241 ppm2      8.864 CV     1
 ASSI {  394}
   (( segid "    " and resid 2    and name HD2 ))
   (( segid "    " and resid 3    and name HN  ))
      5.200     3.300     0.800 peak   394 weight  0.10000E+01 volume  0.31203E-03 ppm1      1.555 ppm2      8.864 CV     1
 OR {  394}
   (( segid "    " and resid 2    and name HD1 ))
   (( segid "    " and resid 3    and name HN  ))
 ASSI {  536}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      4.100     2.100     1.900 peak   536 weight  0.10000E+01 volume  0.54170E-03 ppm1      9.739 ppm2      8.861 CV     1
 ASSI {  672}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.700     0.900     0.900 peak   672 weight  0.10000E+01 volume  0.25087E-02 ppm1      4.454 ppm2      8.813 CV     1
 ASSI {  555}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 9    and name HN  ))
      2.200     0.600     0.600 peak   555 weight  0.10000E+01 volume  0.94480E-02 ppm1      4.966 ppm2      8.812 CV     1
 ASSI {  956}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      2.200     0.600     0.600 peak   956 weight  0.10000E+01 volume  0.46055E-02 ppm1      3.433 ppm2      8.812 CV     1
 ASSI {  619}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.900     1.900     1.900 peak   619 weight  0.10000E+01 volume  0.60907E-03 ppm1      2.610 ppm2      8.811 CV     1
 ASSI {  757}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 9    and name HN  ))
      3.900     1.900     1.900 peak   757 weight  0.10000E+01 volume  0.20469E-02 ppm1      2.911 ppm2      8.811 CV     1
 ASSI { 1009}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 20   and name HN  ))
      2.400     0.700     0.700 peak  1009 weight  0.10000E+01 volume  0.54915E-02 ppm1      2.792 ppm2      8.779 CV     1
 ASSI {  271}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      3.400     1.400     1.400 peak   271 weight  0.10000E+01 volume  0.20344E-02 ppm1      4.609 ppm2      8.779 CV     1
 ASSI {  355}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 20   and name HN  ))
      4.600     2.600     1.400 peak   355 weight  0.10000E+01 volume  0.18472E-03 ppm1      2.698 ppm2      8.778 CV     1
 ASSI {  888}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 20   and name HN  ))
      2.200     0.600     0.600 peak   888 weight  0.10000E+01 volume  0.85248E-02 ppm1      4.539 ppm2      8.777 CV     1
 ASSI {  895}
   (( segid "    " and resid 21   and name HA2 ))
   (( segid "    " and resid 22   and name HN  ))
      2.500     0.800     0.800 peak   895 weight  0.10000E+01 volume  0.56163E-02 ppm1      4.127 ppm2      8.689 CV     1
 ASSI {   41}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      4.400     2.400     1.600 peak    41 weight  0.10000E+01 volume  0.46930E-03 ppm1      8.810 ppm2      8.687 CV     1
 ASSI {   27}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name H1  ))
      3.900     1.900     1.900 peak    27 weight  0.10000E+01 volume  0.10796E-02 ppm1      8.927 ppm2      8.544 CV     1
 ASSI {  583}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 26   and name H1  ))
      2.200     0.600     0.600 peak   583 weight  0.10000E+01 volume  0.10047E-01 ppm1      4.623 ppm2      8.543 CV     1
 ASSI {  105}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 26   and name H1  ))
      4.200     2.200     1.800 peak   105 weight  0.10000E+01 volume  0.59159E-03 ppm1      7.931 ppm2      8.543 CV     1
 ASSI {  718}
   (( segid "    " and resid 26   and name H2  ))
   (( segid "    " and resid 26   and name H1  ))
      1.500     0.300     0.700 peak   718 weight  0.10000E+01 volume  0.62904E-01 ppm1      7.448 ppm2      8.542 CV     1
 ASSI {  808}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name H1  ))
      2.700     0.900     0.900 peak   808 weight  0.10000E+01 volume  0.42311E-02 ppm1      3.167 ppm2      8.542 CV     1
 OR {  808}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name H1  ))
 ASSI {  311}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 26   and name H1  ))
      4.300     2.300     1.700 peak   311 weight  0.10000E+01 volume  0.36445E-03 ppm1      3.688 ppm2      8.542 CV     1
 ASSI {  990}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 18   and name HN  ))
      2.300     0.600     0.600 peak   990 weight  0.10000E+01 volume  0.99848E-02 ppm1      4.518 ppm2      8.475 CV     1
 ASSI {  419}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      4.800     2.900     1.200 peak   419 weight  0.10000E+01 volume  0.23340E-03 ppm1      8.861 ppm2      8.471 CV     1
 ASSI {  623}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 8    and name HN  ))
      4.100     2.100     1.900 peak   623 weight  0.10000E+01 volume  0.12481E-02 ppm1      2.374 ppm2      8.444 CV     1
 ASSI {  841}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.500     0.800     0.800 peak   841 weight  0.10000E+01 volume  0.35197E-02 ppm1      5.291 ppm2      8.444 CV     1
 ASSI {  771}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.700     1.700     1.700 peak   771 weight  0.10000E+01 volume  0.12855E-02 ppm1      8.810 ppm2      8.443 CV     1
 ASSI {  316}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HN  ))
      3.600     1.600     1.600 peak   316 weight  0.10000E+01 volume  0.10259E-02 ppm1      3.433 ppm2      8.441 CV     1
 ASSI {   28}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      3.500     1.500     1.500 peak    28 weight  0.10000E+01 volume  0.10958E-02 ppm1      8.929 ppm2      8.441 CV     1
 ASSI {  729}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 15   and name HN  ))
      3.000     1.200     1.200 peak   729 weight  0.10000E+01 volume  0.23340E-02 ppm1      4.683 ppm2      8.429 CV     1
 ASSI {   88}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 15   and name HN  ))
      2.500     0.800     0.800 peak    88 weight  0.10000E+01 volume  0.41812E-02 ppm1      8.198 ppm2      8.426 CV     1
 ASSI {  695}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HN  ))
      3.700     1.700     1.700 peak   695 weight  0.10000E+01 volume  0.11246E-02 ppm1      2.610 ppm2      8.426 CV     1
 ASSI {    1}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HN  ))
      2.400     0.700     0.700 peak     1 weight  0.10000E+01 volume  0.68521E-02 ppm1      9.739 ppm2      8.415 CV     1
 ASSI {  749}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HN  ))
      3.300     1.400     1.400 peak   749 weight  0.10000E+01 volume  0.22092E-02 ppm1      3.220 ppm2      8.414 CV     1
 ASSI {  892}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HN  ))
      2.800     1.000     1.000 peak   892 weight  0.10000E+01 volume  0.39316E-02 ppm1      4.446 ppm2      8.403 CV     1
 ASSI {  284}
   (( segid "    " and resid 21   and name HA1 ))
   (( segid "    " and resid 23   and name HN  ))
      4.500     2.500     1.500 peak   284 weight  0.10000E+01 volume  0.16351E-03 ppm1      4.343 ppm2      8.398 CV     1
 ASSI {  289}
   (( segid "    " and resid 21   and name HA2 ))
   (( segid "    " and resid 23   and name HN  ))
      4.700     2.800     1.300 peak   289 weight  0.10000E+01 volume  0.44183E-03 ppm1      4.127 ppm2      8.398 CV     1
 ASSI {   51}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 23   and name HN  ))
      2.700     0.900     0.900 peak    51 weight  0.10000E+01 volume  0.32451E-02 ppm1      8.684 ppm2      8.395 CV     1
 ASSI {  365}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 13   and name HN  ))
      4.500     2.500     1.500 peak   365 weight  0.10000E+01 volume  0.19970E-03 ppm1      2.320 ppm2      8.260 CV     1
 ASSI { 1049}
   (( segid "    " and resid 24   and name HA2 ))
   (( segid "    " and resid 24   and name HN  ))
      2.200     0.600     0.600 peak  1049 weight  0.10000E+01 volume  0.80754E-02 ppm1      3.753 ppm2      8.259 CV     1
 ASSI {  366}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 13   and name HN  ))
      5.600     3.900     0.400 peak   366 weight  0.10000E+01 volume  0.18472E-03 ppm1      2.282 ppm2      8.258 CV     1
 ASSI {  908}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HN  ))
      2.700     0.900     0.900 peak   908 weight  0.10000E+01 volume  0.25961E-02 ppm1      2.894 ppm2      8.258 CV     1
 ASSI {   52}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      4.100     2.100     1.900 peak    52 weight  0.10000E+01 volume  0.62404E-03 ppm1      8.684 ppm2      8.257 CV     1
 ASSI {  804}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HN  ))
      3.300     1.300     1.300 peak   804 weight  0.10000E+01 volume  0.13854E-02 ppm1      3.283 ppm2      8.257 CV     1
 ASSI {  981}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 24   and name HN  ))
      2.500     0.800     0.800 peak   981 weight  0.10000E+01 volume  0.44807E-02 ppm1      8.385 ppm2      8.256 CV     1
 ASSI {  174}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 24   and name HN  ))
      5.100     3.300     0.900 peak   174 weight  0.10000E+01 volume  0.23215E-03 ppm1      5.290 ppm2      8.256 CV     1
 ASSI {  282}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 13   and name HN  ))
      5.900     4.300     0.100 peak   282 weight  0.10000E+01 volume  0.19096E-03 ppm1      4.374 ppm2      8.255 CV     1
 ASSI {  290}
   (( segid "    " and resid 21   and name HA2 ))
   (( segid "    " and resid 24   and name HN  ))
      4.800     2.900     1.200 peak   290 weight  0.10000E+01 volume  0.36320E-03 ppm1      4.124 ppm2      8.238 CV     1
 ASSI {  886}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HN  ))
      2.700     0.900     0.900 peak   886 weight  0.10000E+01 volume  0.44183E-02 ppm1      4.689 ppm2      8.204 CV     1
 ASSI {  320}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      4.100     2.100     1.900 peak   320 weight  0.10000E+01 volume  0.34822E-03 ppm1      3.404 ppm2      8.204 CV     1
 ASSI {  818}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      2.600     0.800     0.800 peak   818 weight  0.10000E+01 volume  0.23590E-02 ppm1      2.610 ppm2      8.203 CV     1
 ASSI {  356}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      5.200     3.400     0.800 peak   356 weight  0.10000E+01 volume  0.24088E-03 ppm1      2.699 ppm2      8.200 CV     1
 ASSI {  952}
   (( segid "    " and resid 3    and name HA2 ))
   (( segid "    " and resid 4    and name HN  ))
      2.300     0.600     0.600 peak   952 weight  0.10000E+01 volume  0.76135E-02 ppm1      3.806 ppm2      8.152 CV     1
 ASSI {  707}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.900     1.900     1.900 peak   707 weight  0.10000E+01 volume  0.11670E-02 ppm1      8.861 ppm2      8.152 CV     1
 ASSI {  705}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.200     2.200     1.800 peak   705 weight  0.10000E+01 volume  0.87120E-03 ppm1      8.905 ppm2      8.151 CV     1
 ASSI {  428}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.500     2.500     1.500 peak   428 weight  0.10000E+01 volume  0.44183E-03 ppm1      8.400 ppm2      7.935 CV     1
 ASSI {  790}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      2.100     0.600     0.600 peak   790 weight  0.10000E+01 volume  0.12855E-01 ppm1      4.624 ppm2      7.935 CV     1
 ASSI {  795}
   (( segid "    " and resid 21   and name HA1 ))
   (( segid "    " and resid 21   and name HN  ))
      2.600     0.800     0.800 peak   795 weight  0.10000E+01 volume  0.34822E-02 ppm1      4.312 ppm2      7.935 CV     1
 ASSI {  422}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.200     2.200     1.800 peak   422 weight  0.10000E+01 volume  0.81129E-03 ppm1      8.770 ppm2      7.934 CV     1
 ASSI {  687}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 21   and name HN  ))
      3.400     1.400     1.400 peak   687 weight  0.10000E+01 volume  0.91984E-03 ppm1      3.055 ppm2      7.933 CV     1
 ASSI {   80}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.000     2.000     2.000 peak    80 weight  0.10000E+01 volume  0.64901E-03 ppm1      8.255 ppm2      7.931 CV     1
 ASSI {  691}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 21   and name HN  ))
      3.900     1.900     1.900 peak   691 weight  0.10000E+01 volume  0.98974E-03 ppm1      2.792 ppm2      7.930 CV     1
 ASSI {   35}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.300     2.300     1.700 peak    35 weight  0.10000E+01 volume  0.27833E-03 ppm1      8.927 ppm2      7.929 CV     1
 ASSI {  677}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HN  ))
      2.600     0.800     0.800 peak   677 weight  0.10000E+01 volume  0.43684E-02 ppm1      3.969 ppm2      7.919 CV     1
 ASSI {  425}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      3.000     1.100     1.100 peak   425 weight  0.10000E+01 volume  0.20344E-02 ppm1      8.709 ppm2      7.919 CV     1
 ASSI {  420}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      4.400     2.400     1.600 peak   420 weight  0.10000E+01 volume  0.28207E-03 ppm1      8.858 ppm2      7.845 CV     1
 ASSI {  496}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      3.400     1.400     1.400 peak   496 weight  0.10000E+01 volume  0.13604E-02 ppm1      3.687 ppm2      7.845 CV     1
 ASSI {  446}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 6    and name HN  ))
      4.700     2.700     1.300 peak   446 weight  0.10000E+01 volume  0.21842E-03 ppm1      5.290 ppm2      7.844 CV     1
 ASSI {  308}
   (( segid "    " and resid 3    and name HA2 ))
   (( segid "    " and resid 6    and name HN  ))
      5.200     3.400     0.800 peak   308 weight  0.10000E+01 volume  0.15851E-03 ppm1      3.807 ppm2      7.843 CV     1
 ASSI {   96}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      4.100     2.100     1.900 peak    96 weight  0.10000E+01 volume  0.37943E-03 ppm1      8.147 ppm2      7.840 CV     1
 ASSI {  382}
   (  segid "    " and resid 12   and name HE% )
   (( segid "    " and resid 12   and name HN  ))
      5.400     3.700     0.600 peak   382 weight  0.10000E+01 volume  0.19096E-03 ppm1      2.038 ppm2      7.776 CV     1
 ASSI {  732}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 12   and name HN  ))
      3.000     1.100     1.100 peak   732 weight  0.10000E+01 volume  0.12980E-02 ppm1      4.372 ppm2      7.773 CV     1
 ASSI {  821}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HN  ))
      3.600     1.600     1.600 peak   821 weight  0.10000E+01 volume  0.83375E-03 ppm1      2.325 ppm2      7.772 CV     1
 ASSI {  300}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      4.300     2.300     1.700 peak   300 weight  0.10000E+01 volume  0.50301E-03 ppm1      3.970 ppm2      7.772 CV     1
 ASSI {  730}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.800     1.000     1.000 peak   730 weight  0.10000E+01 volume  0.28207E-02 ppm1      4.465 ppm2      7.772 CV     1
 ASSI {  288}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 12   and name HN  ))
      2.900     1.000     1.000 peak   288 weight  0.10000E+01 volume  0.38442E-02 ppm1      4.123 ppm2      7.772 CV     1
 ASSI {  431}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      3.400     1.400     1.400 peak   431 weight  0.10000E+01 volume  0.20594E-02 ppm1      8.252 ppm2      7.772 CV     1
 ASSI {  822}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HN  ))
      3.100     1.200     1.200 peak   822 weight  0.10000E+01 volume  0.10484E-02 ppm1      2.285 ppm2      7.772 CV     1
 ASSI {  779}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.900     1.000     1.000 peak   779 weight  0.10000E+01 volume  0.20219E-02 ppm1      7.912 ppm2      7.771 CV     1
 ASSI {   47}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      5.000     3.100     1.000 peak    47 weight  0.10000E+01 volume  0.29830E-03 ppm1      8.708 ppm2      7.770 CV     1
 ASSI {   89}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.000     2.000     2.000 peak    89 weight  0.10000E+01 volume  0.30205E-03 ppm1      8.199 ppm2      7.770 CV     1
 ASSI {   43}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      5.100     3.300     0.900 peak    43 weight  0.10000E+01 volume  0.16101E-03 ppm1      8.810 ppm2      7.767 CV     1
 ASSI {   42}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HE  ))
      4.800     2.800     1.200 peak    42 weight  0.10000E+01 volume  0.42311E-03 ppm1      8.809 ppm2      7.520 CV     1
 ASSI {  429}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 26   and name H2  ))
      4.800     2.900     1.200 peak   429 weight  0.10000E+01 volume  0.32076E-03 ppm1      8.412 ppm2      7.456 CV     1
 ASSI {  107}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 26   and name H2  ))
      4.900     3.000     1.100 peak   107 weight  0.10000E+01 volume  0.33325E-03 ppm1      7.931 ppm2      7.453 CV     1
 ASSI {  123}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 13   and name HD% )
      5.000     3.100     1.000 peak   123 weight  0.10000E+01 volume  0.21093E-03 ppm1      7.770 ppm2      7.125 CV     1
 ASSI {  789}
   (( segid "    " and resid 13   and name HA  ))
   (  segid "    " and resid 13   and name HD% )
      3.100     1.200     1.200 peak   789 weight  0.10000E+01 volume  0.26835E-02 ppm1      4.702 ppm2      7.125 CV     1
 ASSI {   90}
   (( segid "    " and resid 14   and name HN  ))
   (  segid "    " and resid 13   and name HD% )
      4.800     2.900     1.200 peak    90 weight  0.10000E+01 volume  0.30329E-03 ppm1      8.196 ppm2      7.124 CV     1
 ASSI {  648}
   (  segid "    " and resid 13   and name HE% )
   (  segid "    " and resid 13   and name HD% )
      1.900     0.500     0.500 peak   648 weight  0.10000E+01 volume  0.33200E-01 ppm1      6.832 ppm2      7.123 CV     1
 ASSI {   56}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      5.200     3.400     0.800 peak    56 weight  0.10000E+01 volume  0.21343E-03 ppm1      8.684 ppm2      7.111 CV     1
 ASSI {  777}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.800     1.800     1.800 peak   777 weight  0.10000E+01 volume  0.88993E-03 ppm1      8.397 ppm2      7.109 CV     1
 ASSI {  103}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.000     1.100     1.100 peak   103 weight  0.10000E+01 volume  0.15726E-02 ppm1      7.931 ppm2      7.109 CV     1
 ASSI {  899}
   (( segid "    " and resid 24   and name HA2 ))
   (( segid "    " and resid 25   and name HN  ))
      2.900     1.100     1.100 peak   899 weight  0.10000E+01 volume  0.23465E-02 ppm1      3.753 ppm2      7.108 CV     1
 ASSI {  738}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 25   and name HN  ))
      3.500     1.500     1.500 peak   738 weight  0.10000E+01 volume  0.16600E-02 ppm1      4.010 ppm2      7.108 CV     1
 ASSI {   29}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HN  ))
      3.900     1.900     1.900 peak    29 weight  0.10000E+01 volume  0.88868E-03 ppm1      8.928 ppm2      7.108 CV     1
 ASSI {  784}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HN  ))
      2.600     0.900     0.900 peak   784 weight  0.10000E+01 volume  0.29206E-02 ppm1      5.290 ppm2      7.107 CV     1
 ASSI {  291}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 9    and name HH11))
      4.900     3.000     1.100 peak   291 weight  0.10000E+01 volume  0.31328E-03 ppm1      4.122 ppm2      6.832 CV     1
 OR {  291}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 9    and name HH12))
 OR {  291}
   (( segid "    " and resid 11   and name HA  ))
   (( segid "    " and resid 9    and name HH22))
 ASSI {   84}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 13   and name HE% )
      4.700     2.800     1.300 peak    84 weight  0.10000E+01 volume  0.20594E-03 ppm1      8.260 ppm2      6.829 CV     1
 ASSI {  378}
   (  segid "    " and resid 12   and name HE% )
   (( segid "    " and resid 9    and name HH21))
      3.100     1.200     1.200 peak   378 weight  0.10000E+01 volume  0.18222E-02 ppm1      2.045 ppm2      6.812 CV     1
 OR {  378}
   (  segid "    " and resid 12   and name HE% )
   (( segid "    " and resid 9    and name HH22))
 ASSI {  363}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 9    and name HH21))
      4.500     2.600     1.500 peak   363 weight  0.10000E+01 volume  0.24713E-03 ppm1      2.324 ppm2      6.811 CV     1
 OR {  363}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 9    and name HH22))
 ASSI {  750}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HH11))
      3.100     1.200     1.200 peak   750 weight  0.10000E+01 volume  0.15227E-02 ppm1      3.166 ppm2      6.810 CV     1
 OR {  750}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 9    and name HH12))
 ASSI {  748}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 9    and name HH11))
      3.300     1.300     1.300 peak   748 weight  0.10000E+01 volume  0.13105E-02 ppm1      3.216 ppm2      6.810 CV     1
 OR {  748}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 9    and name HH12))
 ASSI {  547}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 9    and name HH21))
      2.800     1.000     1.000 peak   547 weight  0.10000E+01 volume  0.30579E-02 ppm1      7.516 ppm2      6.809 CV     1
 OR {  547}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 9    and name HH22))
 ASSI {  586}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 25   and name HA  ))
      4.400     2.400     1.600 peak   586 weight  0.10000E+01 volume  0.49053E-03 ppm1      4.607 ppm2      5.298 CV     1
 ASSI {  314}
   (( segid "    " and resid 5    and name HA2 ))
   (( segid "    " and resid 25   and name HA  ))
      4.900     3.000     1.100 peak   314 weight  0.10000E+01 volume  0.18971E-03 ppm1      3.610 ppm2      5.297 CV     1
 ASSI {  182}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 25   and name HA  ))
      2.500     0.800     0.800 peak   182 weight  0.10000E+01 volume  0.44932E-02 ppm1      4.933 ppm2      5.296 CV     1
 ASSI {  296}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 25   and name HA  ))
      4.600     2.600     1.400 peak   296 weight  0.10000E+01 volume  0.20719E-03 ppm1      4.011 ppm2      5.296 CV     1
 ASSI {  753}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      4.700     2.700     1.300 peak   753 weight  0.10000E+01 volume  0.71642E-03 ppm1      3.166 ppm2      5.296 CV     1
 OR {  753}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 25   and name HA  ))
 ASSI {   26}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HA  ))
      1.900     0.400     0.400 peak    26 weight  0.10000E+01 volume  0.18971E-01 ppm1      8.928 ppm2      5.295 CV     1
 ASSI {  142}
   (( segid "    " and resid 25   and name HE  ))
   (( segid "    " and resid 25   and name HA  ))
      5.500     3.800     0.500 peak   142 weight  0.10000E+01 volume  0.18847E-03 ppm1      7.224 ppm2      5.295 CV     1
 ASSI { 1003}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.400     0.700     0.700 peak  1003 weight  0.10000E+01 volume  0.67273E-02 ppm1      3.404 ppm2      4.972 CV     1
 ASSI {  537}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.900     1.900     1.900 peak   537 weight  0.10000E+01 volume  0.11283E-02 ppm1      8.928 ppm2      4.938 CV     1
 ASSI {  159}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      4.600     2.700     1.400 peak   159 weight  0.10000E+01 volume  0.28582E-03 ppm1      7.096 ppm2      4.936 CV     1
 ASSI {  440}
   (( segid "    " and resid 25   and name HE  ))
   (( segid "    " and resid 7    and name HA  ))
      5.400     3.600     0.600 peak   440 weight  0.10000E+01 volume  0.23590E-03 ppm1      7.224 ppm2      4.933 CV     1
 ASSI { 1006}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 7    and name HA  ))
      2.200     0.600     0.600 peak  1006 weight  0.10000E+01 volume  0.49552E-02 ppm1      3.103 ppm2      4.932 CV     1
 ASSI {  535}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HA  ))
      2.000     0.500     0.500 peak   535 weight  0.10000E+01 volume  0.12606E-01 ppm1      9.738 ppm2      4.931 CV     1
 ASSI {  918}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.800     1.000     1.000 peak   918 weight  0.10000E+01 volume  0.25711E-02 ppm1      2.698 ppm2      4.929 CV     1
 ASSI {  115}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak   115 weight  0.10000E+01 volume  0.35072E-02 ppm1      7.840 ppm2      4.658 CV     1
 ASSI {  963}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 1    and name HA  ))
      2.400     0.700     0.700 peak   963 weight  0.10000E+01 volume  0.70893E-02 ppm1      3.092 ppm2      4.628 CV     1
 ASSI { 1032}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HA  ))
      2.500     0.800     0.800 peak  1032 weight  0.10000E+01 volume  0.69769E-02 ppm1      3.060 ppm2      4.627 CV     1
 ASSI {  129}
   (( segid "    " and resid 26   and name H2  ))
   (( segid "    " and resid 26   and name HA  ))
      3.400     1.400     1.400 peak   129 weight  0.10000E+01 volume  0.41313E-02 ppm1      7.448 ppm2      4.621 CV     1
 ASSI {  810}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 26   and name HA  ))
      2.400     0.700     0.700 peak   810 weight  0.10000E+01 volume  0.83001E-02 ppm1      3.167 ppm2      4.621 CV     1
 OR {  810}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 26   and name HA  ))
 ASSI {  514}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 19   and name HA  ))
      3.400     1.400     1.400 peak   514 weight  0.10000E+01 volume  0.75387E-03 ppm1      2.698 ppm2      4.541 CV     1
 ASSI {  870}
   (( segid "    " and resid 2    and name HG1 ))
   (( segid "    " and resid 2    and name HA  ))
      2.800     1.000     1.000 peak   870 weight  0.10000E+01 volume  0.27458E-02 ppm1      1.405 ppm2      4.534 CV     1
 ASSI {  699}
   (  segid "    " and resid 12   and name HE% )
   (( segid "    " and resid 12   and name HA  ))
      4.700     2.800     1.300 peak   699 weight  0.10000E+01 volume  0.53921E-03 ppm1      2.044 ppm2      4.470 CV     1
 ASSI {  867}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HA  ))
      3.700     1.700     1.700 peak   867 weight  0.10000E+01 volume  0.13355E-02 ppm1      2.285 ppm2      4.468 CV     1
 ASSI {  153}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 12   and name HA  ))
      3.600     1.700     1.700 peak   153 weight  0.10000E+01 volume  0.75636E-03 ppm1      7.113 ppm2      4.465 CV     1
 ASSI { 1016}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.900     1.000     1.000 peak  1016 weight  0.10000E+01 volume  0.52922E-02 ppm1      1.677 ppm2      4.460 CV     1
 OR { 1016}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HA  ))
 ASSI {  424}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.000     0.500     0.500 peak   424 weight  0.10000E+01 volume  0.14603E-01 ppm1      8.709 ppm2      4.460 CV     1
 ASSI {  921}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HA  ))
      2.800     1.000     1.000 peak   921 weight  0.10000E+01 volume  0.30579E-02 ppm1      2.094 ppm2      4.455 CV     1
 ASSI {  940}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HA  ))
      2.700     0.900     0.900 peak   940 weight  0.10000E+01 volume  0.38193E-02 ppm1      8.398 ppm2      4.447 CV     1
 ASSI {    2}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      2.500     0.800     0.800 peak     2 weight  0.10000E+01 volume  0.56413E-02 ppm1      9.738 ppm2      4.437 CV     1
 ASSI {  904}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.400     0.700     0.700 peak   904 weight  0.10000E+01 volume  0.64651E-02 ppm1      3.094 ppm2      4.437 CV     1
 ASSI {  803}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 16   and name HA  ))
      3.300     1.400     1.400 peak   803 weight  0.10000E+01 volume  0.27209E-02 ppm1      3.283 ppm2      4.436 CV     1
 ASSI {  863}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HA  ))
      2.800     1.000     1.000 peak   863 weight  0.10000E+01 volume  0.32950E-02 ppm1      2.816 ppm2      4.436 CV     1
 ASSI {   22}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 16   and name HA  ))
      4.600     2.700     1.400 peak    22 weight  0.10000E+01 volume  0.39940E-03 ppm1      9.252 ppm2      4.435 CV     1
 ASSI {  406}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 11   and name HB  ))
      2.300     0.600     0.600 peak   406 weight  0.10000E+01 volume  0.87495E-02 ppm1      1.175 ppm2      4.375 CV     1
 ASSI {  444}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 21   and name HA1 ))
      4.400     2.400     1.600 peak   444 weight  0.10000E+01 volume  0.28457E-03 ppm1      5.290 ppm2      4.346 CV     1
 ASSI {  116}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA1 ))
      3.000     1.100     1.100 peak   116 weight  0.10000E+01 volume  0.22217E-02 ppm1      7.840 ppm2      4.342 CV     1
 ASSI {  703}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 21   and name HA1 ))
      4.000     2.000     2.000 peak   703 weight  0.10000E+01 volume  0.45556E-03 ppm1      1.360 ppm2      4.341 CV     1
 OR {  703}
   (( segid "    " and resid 25   and name HG1 ))
   (( segid "    " and resid 21   and name HA1 ))
 ASSI {  313}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 5    and name HA1 ))
      4.900     2.900     1.100 peak   313 weight  0.10000E+01 volume  0.42935E-03 ppm1      3.690 ppm2      4.339 CV     1
 ASSI { 1045}
   (( segid "    " and resid 21   and name HA2 ))
   (( segid "    " and resid 21   and name HA1 ))
      1.700     0.400     0.500 peak  1045 weight  0.10000E+01 volume  0.23839E-01 ppm1      4.127 ppm2      4.330 CV     1
 ASSI {   55}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HA1 ))
      2.300     0.700     0.700 peak    55 weight  0.10000E+01 volume  0.87744E-02 ppm1      8.684 ppm2      4.328 CV     1
 ASSI {  669}
   (( segid "    " and resid 26   and name HA  ))
   (( segid "    " and resid 21   and name HA1 ))
      4.000     2.000     2.000 peak   669 weight  0.10000E+01 volume  0.50051E-03 ppm1      4.600 ppm2      4.318 CV     1
 ASSI {   45}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 21   and name HA2 ))
      4.100     2.100     1.900 peak    45 weight  0.10000E+01 volume  0.43809E-03 ppm1      8.772 ppm2      4.127 CV     1
 ASSI {  758}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 21   and name HA2 ))
      3.600     1.600     1.600 peak   758 weight  0.10000E+01 volume  0.89367E-03 ppm1      2.817 ppm2      4.119 CV     1
 ASSI {  585}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 21   and name HA2 ))
      4.000     2.000     2.000 peak   585 weight  0.10000E+01 volume  0.72391E-03 ppm1      4.624 ppm2      4.115 CV     1
 ASSI {   94}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA1 ))
      2.400     0.700     0.700 peak    94 weight  0.10000E+01 volume  0.12307E-01 ppm1      8.146 ppm2      4.109 CV     1
 ASSI {   63}
   (( segid "    " and resid 26   and name H1  ))
   (( segid "    " and resid 18   and name HA1 ))
      3.700     1.800     1.800 peak    63 weight  0.10000E+01 volume  0.28082E-03 ppm1      8.537 ppm2      4.085 CV     1
 ASSI {  776}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA1 ))
      2.100     0.500     0.500 peak   776 weight  0.10000E+01 volume  0.12319E-01 ppm1      8.397 ppm2      4.073 CV     1
 ASSI {  710}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA1 ))
      2.900     1.100     1.100 peak   710 weight  0.10000E+01 volume  0.37818E-02 ppm1      8.465 ppm2      4.071 CV     1
 ASSI {   79}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 24   and name HA1 ))
      2.600     0.900     0.900 peak    79 weight  0.10000E+01 volume  0.69894E-02 ppm1      8.255 ppm2      4.032 CV     1
 ASSI { 1098}
   (( segid "    " and resid 24   and name HA2 ))
   (( segid "    " and resid 24   and name HA1 ))
      1.600     0.300     0.600 peak  1098 weight  0.10000E+01 volume  0.32076E-01 ppm1      3.753 ppm2      4.028 CV     1
 ASSI {  673}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HA  ))
      4.500     2.500     1.500 peak   673 weight  0.10000E+01 volume  0.49552E-03 ppm1      4.456 ppm2      3.984 CV     1
 ASSI {   44}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      4.600     2.700     1.400 peak    44 weight  0.10000E+01 volume  0.44433E-03 ppm1      8.772 ppm2      3.975 CV     1
 ASSI {  914}
   (( segid "    " and resid 20   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      2.800     1.000     1.000 peak   914 weight  0.10000E+01 volume  0.39316E-02 ppm1      2.793 ppm2      3.975 CV     1
 ASSI {  817}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.100     1.100 peak   817 weight  0.10000E+01 volume  0.17349E-02 ppm1      3.056 ppm2      3.975 CV     1
 ASSI {   46}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.500     0.800     0.800 peak    46 weight  0.10000E+01 volume  0.50925E-02 ppm1      8.709 ppm2      3.975 CV     1
 ASSI {  544}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HD1 ))
      4.600     2.600     1.400 peak   544 weight  0.10000E+01 volume  0.61531E-03 ppm1      7.840 ppm2      3.954 CV     1
 ASSI {  624}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HD1 ))
      3.600     1.600     1.600 peak   624 weight  0.10000E+01 volume  0.10696E-02 ppm1      2.373 ppm2      3.953 CV     1
 ASSI {  887}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HD1 ))
      2.000     0.500     0.500 peak   887 weight  0.10000E+01 volume  0.12269E-01 ppm1      4.653 ppm2      3.953 CV     1
 ASSI { 1062}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HD1 ))
      1.700     0.300     0.500 peak  1062 weight  0.10000E+01 volume  0.23090E-01 ppm1      3.659 ppm2      3.953 CV     1
 ASSI {  823}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HD1 ))
      2.500     0.800     0.800 peak   823 weight  0.10000E+01 volume  0.31952E-02 ppm1      2.163 ppm2      3.953 CV     1
 ASSI {  450}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD1 ))
      3.500     1.500     1.500 peak   450 weight  0.10000E+01 volume  0.90865E-03 ppm1      4.934 ppm2      3.951 CV     1
 ASSI {  713}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 18   and name HA2 ))
      3.000     1.100     1.100 peak   713 weight  0.10000E+01 volume  0.53796E-02 ppm1      8.398 ppm2      3.816 CV     1
 ASSI {  774}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 18   and name HA2 ))
      2.200     0.600     0.600 peak   774 weight  0.10000E+01 volume  0.11420E-01 ppm1      8.472 ppm2      3.815 CV     1
 ASSI { 1111}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 18   and name HA2 ))
      1.500     0.300     0.700 peak  1111 weight  0.10000E+01 volume  0.45556E-01 ppm1      4.085 ppm2      3.808 CV     1
 ASSI {  109}
   (( segid "    " and resid 21   and name HN  ))
   (( segid "    " and resid 24   and name HA2 ))
      4.600     2.600     1.400 peak   109 weight  0.10000E+01 volume  0.17099E-03 ppm1      7.930 ppm2      3.746 CV     1
 ASSI {  755}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 7    and name HD2 ))
      4.100     2.100     1.900 peak   755 weight  0.10000E+01 volume  0.69769E-03 ppm1      3.116 ppm2      3.694 CV     1
 ASSI {  752}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.300     0.700     0.700 peak   752 weight  0.10000E+01 volume  0.71517E-02 ppm1      3.167 ppm2      3.693 CV     1
 OR {  752}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
 ASSI {  131}
   (( segid "    " and resid 26   and name H2  ))
   (( segid "    " and resid 4    and name HA  ))
      3.600     1.600     1.600 peak   131 weight  0.10000E+01 volume  0.90865E-03 ppm1      7.449 ppm2      3.693 CV     1
 ASSI {  825}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      2.800     1.000     1.000 peak   825 weight  0.10000E+01 volume  0.19845E-02 ppm1      1.694 ppm2      3.692 CV     1
 ASSI {  643}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.300     0.700     0.700 peak   643 weight  0.10000E+01 volume  0.74513E-02 ppm1      8.146 ppm2      3.692 CV     1
 ASSI {  977}
   (  segid "    " and resid 6    and name HB% )
   (( segid "    " and resid 7    and name HD2 ))
      2.500     0.800     0.800 peak   977 weight  0.10000E+01 volume  0.61281E-02 ppm1      1.413 ppm2      3.662 CV     1
 ASSI {  848}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HD2 ))
      2.500     0.800     0.800 peak   848 weight  0.10000E+01 volume  0.69145E-02 ppm1      4.654 ppm2      3.661 CV     1
 ASSI {  868}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HD2 ))
      2.800     1.000     1.000 peak   868 weight  0.10000E+01 volume  0.50301E-02 ppm1      2.164 ppm2      3.660 CV     1
 ASSI {  922}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HD2 ))
      2.500     0.800     0.800 peak   922 weight  0.10000E+01 volume  0.36320E-02 ppm1      1.914 ppm2      3.660 CV     1
 OR {  922}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HD2 ))
 ASSI {  518}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HD2 ))
      4.100     2.100     1.900 peak   518 weight  0.10000E+01 volume  0.88244E-03 ppm1      2.374 ppm2      3.660 CV     1
 ASSI {  183}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HD2 ))
      4.000     2.000     2.000 peak   183 weight  0.10000E+01 volume  0.54545E-03 ppm1      4.934 ppm2      3.658 CV     1
 ASSI { 1078}
   (( segid "    " and resid 5    and name HA1 ))
   (( segid "    " and resid 5    and name HA2 ))
      1.800     0.400     0.400 peak  1078 weight  0.10000E+01 volume  0.19346E-01 ppm1      4.356 ppm2      3.600 CV     1
 ASSI {  872}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 5    and name HA2 ))
      3.700     1.700     1.700 peak   872 weight  0.10000E+01 volume  0.11620E-02 ppm1      1.371 ppm2      3.600 CV     1
 ASSI {  840}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA2 ))
      3.200     1.300     1.300 peak   840 weight  0.10000E+01 volume  0.18722E-02 ppm1      7.840 ppm2      3.599 CV     1
 ASSI {   53}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      5.300     3.500     0.700 peak    53 weight  0.10000E+01 volume  0.16974E-03 ppm1      8.708 ppm2      3.423 CV     1
 ASSI {  484}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.500     2.600     1.500 peak   484 weight  0.10000E+01 volume  0.39316E-03 ppm1      4.466 ppm2      3.422 CV     1
 ASSI { 1107}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HB2 ))
      1.600     0.300     0.600 peak  1107 weight  0.10000E+01 volume  0.21842E-01 ppm1      2.884 ppm2      3.422 CV     1
 ASSI {   32}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.800     2.900     1.200 peak    32 weight  0.10000E+01 volume  0.27084E-03 ppm1      8.929 ppm2      3.422 CV     1
 ASSI {  554}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 13   and name HB1 ))
      4.700     2.800     1.300 peak   554 weight  0.10000E+01 volume  0.56413E-03 ppm1      6.832 ppm2      3.303 CV     1
 ASSI {  849}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 1    and name HB2 ))
      2.100     0.600     0.600 peak   849 weight  0.10000E+01 volume  0.12606E-01 ppm1      4.622 ppm2      3.301 CV     1
 ASSI {  148}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HB1 ))
      2.500     0.800     0.800 peak   148 weight  0.10000E+01 volume  0.62779E-02 ppm1      7.125 ppm2      3.300 CV     1
 ASSI { 1052}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 1    and name HB2 ))
      1.600     0.300     0.600 peak  1052 weight  0.10000E+01 volume  0.31452E-01 ppm1      3.094 ppm2      3.300 CV     1
 ASSI {  945}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.400     0.700     0.700 peak   945 weight  0.10000E+01 volume  0.44433E-02 ppm1      4.702 ppm2      3.299 CV     1
 ASSI { 1106}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HB1 ))
      1.600     0.300     0.600 peak  1106 weight  0.10000E+01 volume  0.29955E-01 ppm1      2.895 ppm2      3.299 CV     1
 ASSI {  138}
   (( segid "    " and resid 22   and name HE  ))
   (( segid "    " and resid 22   and name HD1 ))
      3.200     1.300     1.300 peak   138 weight  0.10000E+01 volume  0.11795E-02 ppm1      7.244 ppm2      3.242 CV     1
 OR {  138}
   (( segid "    " and resid 22   and name HE  ))
   (( segid "    " and resid 22   and name HD2 ))
 ASSI {  629}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak   629 weight  0.10000E+01 volume  0.36070E-02 ppm1      9.738 ppm2      3.241 CV     1
 ASSI { 1087}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 16   and name HB2 ))
      1.600     0.300     0.600 peak  1087 weight  0.10000E+01 volume  0.36445E-01 ppm1      2.816 ppm2      3.239 CV     1
 ASSI {   54}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HD2 ))
      4.200     2.200     1.800 peak    54 weight  0.10000E+01 volume  0.59034E-03 ppm1      8.684 ppm2      3.239 CV     1
 OR {   54}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HD1 ))
 ASSI {  992}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 16   and name HB2 ))
      2.400     0.700     0.700 peak   992 weight  0.10000E+01 volume  0.81129E-02 ppm1      4.442 ppm2      3.239 CV     1
 ASSI {  421}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HD1 ))
      4.900     3.000     1.100 peak   421 weight  0.10000E+01 volume  0.24463E-03 ppm1      8.803 ppm2      3.216 CV     1
 OR {  421}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HD2 ))
 ASSI {  782}
   (( segid "    " and resid 23   and name HE  ))
   (( segid "    " and resid 23   and name HD2 ))
      3.300     1.400     1.400 peak   782 weight  0.10000E+01 volume  0.98475E-03 ppm1      7.219 ppm2      3.200 CV     1
 OR {  782}
   (( segid "    " and resid 23   and name HE  ))
   (( segid "    " and resid 23   and name HD1 ))
 ASSI {  850}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HD2 ))
      3.800     1.800     1.800 peak   850 weight  0.10000E+01 volume  0.14977E-02 ppm1      4.540 ppm2      3.192 CV     1
 OR {  850}
   (( segid "    " and resid 19   and name HA  ))
   (( segid "    " and resid 19   and name HD1 ))
 ASSI {  144}
   (( segid "    " and resid 19   and name HE  ))
   (( segid "    " and resid 19   and name HD2 ))
      3.200     1.300     1.300 peak   144 weight  0.10000E+01 volume  0.13230E-02 ppm1      7.166 ppm2      3.187 CV     1
 OR {  144}
   (( segid "    " and resid 19   and name HE  ))
   (( segid "    " and resid 19   and name HD1 ))
 ASSI {  720}
   (( segid "    " and resid 9    and name HH11))
   (( segid "    " and resid 9    and name HD2 ))
      2.800     1.000     1.000 peak   720 weight  0.10000E+01 volume  0.27958E-02 ppm1      6.804 ppm2      3.176 CV     1
 OR {  720}
   (( segid "    " and resid 9    and name HH11))
   (( segid "    " and resid 9    and name HD1 ))
 OR {  720}
   (( segid "    " and resid 9    and name HH12))
   (( segid "    " and resid 9    and name HD2 ))
 OR {  720}
   (( segid "    " and resid 9    and name HH12))
   (( segid "    " and resid 9    and name HD1 ))
 ASSI {  124}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 9    and name HD1 ))
      2.900     1.100     1.100 peak   124 weight  0.10000E+01 volume  0.18971E-02 ppm1      7.515 ppm2      3.175 CV     1
 OR {  124}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 9    and name HD2 ))
 ASSI {  364}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 9    and name HD2 ))
      4.600     2.700     1.400 peak   364 weight  0.10000E+01 volume  0.27833E-03 ppm1      2.325 ppm2      3.172 CV     1
 OR {  364}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 9    and name HD1 ))
 ASSI {  128}
   (( segid "    " and resid 26   and name H2  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.400     1.400     1.400 peak   128 weight  0.10000E+01 volume  0.25087E-02 ppm1      7.448 ppm2      3.170 CV     1
 OR {  128}
   (( segid "    " and resid 26   and name H2  ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {   98}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      3.900     1.900     1.900 peak    98 weight  0.10000E+01 volume  0.77883E-03 ppm1      8.146 ppm2      3.169 CV     1
 OR {   98}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI {  874}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.100     0.600     0.600 peak   874 weight  0.10000E+01 volume  0.14977E-01 ppm1      8.928 ppm2      3.168 CV     1
 OR {  874}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI {  114}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
      2.500     0.800     0.800 peak   114 weight  0.10000E+01 volume  0.72640E-02 ppm1      7.840 ppm2      3.168 CV     1
 OR {  114}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
 ASSI {  721}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HD1 ))
      3.200     1.300     1.300 peak   721 weight  0.10000E+01 volume  0.13355E-02 ppm1      5.291 ppm2      3.124 CV     1
 ASSI { 1091}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 15   and name HB1 ))
      1.600     0.300     0.600 peak  1091 weight  0.10000E+01 volume  0.31952E-01 ppm1      2.698 ppm2      3.122 CV     1
 ASSI {  163}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HD1 ))
      5.100     3.200     0.900 peak   163 weight  0.10000E+01 volume  0.19970E-03 ppm1      7.094 ppm2      3.120 CV     1
 ASSI {   93}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 2    and name HE1 ))
      5.500     3.700     0.500 peak    93 weight  0.10000E+01 volume  0.20968E-03 ppm1      8.195 ppm2      3.079 CV     1
 OR {   93}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 2    and name HE2 ))
 ASSI {  798}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 2    and name HE1 ))
      2.900     1.100     1.100 peak   798 weight  0.10000E+01 volume  0.23465E-02 ppm1      3.404 ppm2      3.074 CV     1
 OR {  798}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 2    and name HE2 ))
 ASSI {  635}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HB2 ))
      2.800     1.000     1.000 peak   635 weight  0.10000E+01 volume  0.75886E-02 ppm1      8.771 ppm2      3.074 CV     1
 ASSI {  347}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 2    and name HE1 ))
      4.800     2.900     1.200 peak   347 weight  0.10000E+01 volume  0.34074E-03 ppm1      2.910 ppm2      3.064 CV     1
 OR {  347}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 2    and name HE2 ))
 ASSI {  722}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HD2 ))
      3.600     1.700     1.700 peak   722 weight  0.10000E+01 volume  0.66898E-03 ppm1      5.291 ppm2      3.029 CV     1
 ASSI {  781}
   (( segid "    " and resid 25   and name HE  ))
   (( segid "    " and resid 25   and name HD2 ))
      2.600     0.900     0.900 peak   781 weight  0.10000E+01 volume  0.29456E-02 ppm1      7.223 ppm2      3.025 CV     1
 ASSI {   33}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HD2 ))
      4.700     2.800     1.300 peak    33 weight  0.10000E+01 volume  0.24713E-03 ppm1      8.928 ppm2      3.023 CV     1
 ASSI {  499}
   (( segid "    " and resid 5    and name HA2 ))
   (( segid "    " and resid 25   and name HD2 ))
      3.700     1.700     1.700 peak   499 weight  0.10000E+01 volume  0.37319E-03 ppm1      3.611 ppm2      3.018 CV     1
 ASSI {  164}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HD2 ))
      5.200     3.300     0.800 peak   164 weight  0.10000E+01 volume  0.20095E-03 ppm1      7.094 ppm2      3.018 CV     1
 ASSI {  598}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 10   and name HE2 ))
      4.200     2.200     1.800 peak   598 weight  0.10000E+01 volume  0.30080E-03 ppm1      4.013 ppm2      2.989 CV     1
 OR {  598}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 10   and name HE1 ))
 ASSI {  494}
   (( segid "    " and resid 24   and name HA2 ))
   (( segid "    " and resid 10   and name HE2 ))
      4.500     2.500     1.500 peak   494 weight  0.10000E+01 volume  0.24837E-03 ppm1      3.753 ppm2      2.983 CV     1
 OR {  494}
   (( segid "    " and resid 24   and name HA2 ))
   (( segid "    " and resid 10   and name HE1 ))
 ASSI {  596}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 10   and name HE2 ))
      4.100     2.100     1.900 peak   596 weight  0.10000E+01 volume  0.34698E-03 ppm1      4.071 ppm2      2.983 CV     1
 OR {  596}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 10   and name HE1 ))
 ASSI {  177}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 8    and name HB1 ))
      4.500     2.500     1.500 peak   177 weight  0.10000E+01 volume  0.33574E-03 ppm1      5.291 ppm2      2.905 CV     1
 ASSI {  448}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HB1 ))
      2.300     0.600     0.600 peak   448 weight  0.10000E+01 volume  0.82751E-02 ppm1      4.967 ppm2      2.904 CV     1
 ASSI {  846}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.200     1.300     1.300 peak   846 weight  0.10000E+01 volume  0.21967E-02 ppm1      4.696 ppm2      2.904 CV     1
 ASSI {   30}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.200     1.300     1.300 peak    30 weight  0.10000E+01 volume  0.96977E-03 ppm1      8.929 ppm2      2.904 CV     1
 ASSI {  168}
   (  segid "    " and resid 13   and name HE% )
   (( segid "    " and resid 13   and name HB2 ))
      4.600     2.700     1.400 peak   168 weight  0.10000E+01 volume  0.64402E-03 ppm1      6.832 ppm2      2.903 CV     1
 ASSI {  149}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 13   and name HB2 ))
      2.400     0.700     0.700 peak   149 weight  0.10000E+01 volume  0.74013E-02 ppm1      7.125 ppm2      2.902 CV     1
 ASSI {  676}
   (( segid "    " and resid 3    and name HA1 ))
   (( segid "    " and resid 16   and name HB1 ))
      4.700     2.700     1.300 peak   676 weight  0.10000E+01 volume  0.57536E-03 ppm1      4.090 ppm2      2.823 CV     1
 ASSI {    3}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      2.900     1.000     1.000 peak     3 weight  0.10000E+01 volume  0.74013E-02 ppm1      9.739 ppm2      2.823 CV     1
 ASSI {  102}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 16   and name HB1 ))
      5.000     3.100     1.000 peak   102 weight  0.10000E+01 volume  0.18347E-03 ppm1      8.146 ppm2      2.821 CV     1
 ASSI {  307}
   (( segid "    " and resid 3    and name HA2 ))
   (( segid "    " and resid 16   and name HB1 ))
      4.300     2.400     1.700 peak   307 weight  0.10000E+01 volume  0.28207E-03 ppm1      3.807 ppm2      2.818 CV     1
 ASSI {  666}
   (( segid "    " and resid 20   and name HA  ))
   (( segid "    " and resid 20   and name HB1 ))
      2.800     1.000     1.000 peak   666 weight  0.10000E+01 volume  0.29331E-02 ppm1      4.625 ppm2      2.804 CV     1
 ASSI {  639}
   (( segid "    " and resid 14   and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      3.100     1.200     1.200 peak   639 weight  0.10000E+01 volume  0.40439E-02 ppm1      8.198 ppm2      2.802 CV     1
 ASSI {  404}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 20   and name HB1 ))
      4.700     2.800     1.300 peak   404 weight  0.10000E+01 volume  0.24088E-03 ppm1      1.385 ppm2      2.802 CV     1
 ASSI {  847}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      2.600     0.800     0.800 peak   847 weight  0.10000E+01 volume  0.46306E-02 ppm1      4.682 ppm2      2.801 CV     1
 ASSI {   49}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 20   and name HB1 ))
      4.400     2.400     1.600 peak    49 weight  0.10000E+01 volume  0.42186E-03 ppm1      8.709 ppm2      2.801 CV     1
 ASSI { 1066}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 14   and name HB1 ))
      1.600     0.300     0.600 peak  1066 weight  0.10000E+01 volume  0.25087E-01 ppm1      2.610 ppm2      2.800 CV     1
 ASSI { 1104}
   (( segid "    " and resid 20   and name HB2 ))
   (( segid "    " and resid 20   and name HB1 ))
      1.700     0.400     0.500 peak  1104 weight  0.10000E+01 volume  0.24213E-01 ppm1      3.082 ppm2      2.800 CV     1
 ASSI {  649}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.600     2.600     1.400 peak   649 weight  0.10000E+01 volume  0.57661E-03 ppm1      4.971 ppm2      2.799 CV     1
 ASSI {    5}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      3.800     1.800     1.800 peak     5 weight  0.10000E+01 volume  0.14853E-02 ppm1      9.739 ppm2      2.704 CV     1
 ASSI {   62}
   (( segid "    " and resid 26   and name H1  ))
   (( segid "    " and resid 15   and name HB2 ))
      4.400     2.400     1.600 peak    62 weight  0.10000E+01 volume  0.18597E-03 ppm1      8.538 ppm2      2.702 CV     1
 ASSI {  744}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 14   and name HB2 ))
      3.300     1.300     1.300 peak   744 weight  0.10000E+01 volume  0.13979E-02 ppm1      3.433 ppm2      2.605 CV     1
 ASSI {  449}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      4.600     2.600     1.400 peak   449 weight  0.10000E+01 volume  0.68022E-03 ppm1      4.963 ppm2      2.604 CV     1
 ASSI {  258}
   (( segid "    " and resid 14   and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      2.600     0.800     0.800 peak   258 weight  0.10000E+01 volume  0.52548E-02 ppm1      4.683 ppm2      2.604 CV     1
 ASSI {  267}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HB1 ))
      5.500     3.800     0.500 peak   267 weight  0.10000E+01 volume  0.24588E-03 ppm1      4.657 ppm2      2.380 CV     1
 ASSI {  697}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HB1 ))
      2.600     0.800     0.800 peak   697 weight  0.10000E+01 volume  0.27833E-02 ppm1      2.166 ppm2      2.376 CV     1
 ASSI {  650}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HB1 ))
      2.200     0.600     0.600 peak   650 weight  0.10000E+01 volume  0.66399E-02 ppm1      4.932 ppm2      2.375 CV     1
 ASSI {  175}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 7    and name HB1 ))
      4.900     3.000     1.100 peak   175 weight  0.10000E+01 volume  0.42061E-03 ppm1      5.292 ppm2      2.373 CV     1
 ASSI { 1072}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HB1 ))
      1.800     0.400     0.400 peak  1072 weight  0.10000E+01 volume  0.20095E-01 ppm1      1.911 ppm2      2.372 CV     1
 OR { 1072}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HB1 ))
 ASSI {  127}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 12   and name HG2 ))
      4.300     2.300     1.700 peak   127 weight  0.10000E+01 volume  0.25462E-03 ppm1      7.516 ppm2      2.334 CV     1
 ASSI {  170}
   (( segid "    " and resid 9    and name HH21))
   (( segid "    " and resid 12   and name HG2 ))
      4.700     2.700     1.300 peak   170 weight  0.10000E+01 volume  0.25087E-03 ppm1      6.807 ppm2      2.331 CV     1
 OR {  170}
   (( segid "    " and resid 9    and name HH22))
   (( segid "    " and resid 12   and name HG2 ))
 OR {  170}
   (( segid "    " and resid 9    and name HH12))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  332}
   (( segid "    " and resid 9    and name HD2 ))
   (( segid "    " and resid 12   and name HG2 ))
      4.600     2.700     1.400 peak   332 weight  0.10000E+01 volume  0.25961E-03 ppm1      3.165 ppm2      2.328 CV     1
 ASSI {  388}
   (( segid "    " and resid 9    and name HB2 ))
   (( segid "    " and resid 12   and name HG2 ))
      4.900     3.000     1.100 peak   388 weight  0.10000E+01 volume  0.29955E-03 ppm1      1.803 ppm2      2.322 CV     1
 OR {  388}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {   81}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
      4.400     2.500     1.600 peak    81 weight  0.10000E+01 volume  0.30205E-03 ppm1      8.251 ppm2      2.312 CV     1
 OR {   81}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
 ASSI {  546}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.000     1.100     1.100 peak   546 weight  0.10000E+01 volume  0.15976E-02 ppm1      7.767 ppm2      2.298 CV     1
 OR {  546}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI {  590}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG2 ))
      3.500     1.500     1.500 peak   590 weight  0.10000E+01 volume  0.20095E-02 ppm1      4.465 ppm2      2.295 CV     1
 OR {  590}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI { 1071}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HG1 ))
      1.800     0.400     0.400 peak  1071 weight  0.10000E+01 volume  0.16101E-01 ppm1      1.914 ppm2      2.171 CV     1
 OR { 1071}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HG1 ))
 ASSI {  451}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 7    and name HG1 ))
      3.900     1.900     1.900 peak   451 weight  0.10000E+01 volume  0.68771E-03 ppm1      4.932 ppm2      2.171 CV     1
 ASSI {  268}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HG1 ))
      5.300     3.500     0.700 peak   268 weight  0.10000E+01 volume  0.40689E-03 ppm1      4.655 ppm2      2.170 CV     1
 ASSI {  160}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      4.200     2.200     1.800 peak   160 weight  0.10000E+01 volume  0.30579E-03 ppm1      7.095 ppm2      2.101 CV     1
 ASSI {  143}
   (( segid "    " and resid 23   and name HE  ))
   (( segid "    " and resid 23   and name HB1 ))
      4.800     2.900     1.200 peak   143 weight  0.10000E+01 volume  0.24088E-03 ppm1      7.219 ppm2      2.100 CV     1
 ASSI { 1056}
   (( segid "    " and resid 23   and name HB2 ))
   (( segid "    " and resid 23   and name HB1 ))
      1.800     0.400     0.400 peak  1056 weight  0.10000E+01 volume  0.14353E-01 ppm1      1.758 ppm2      2.099 CV     1
 ASSI {   73}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      3.500     1.600     1.600 peak    73 weight  0.10000E+01 volume  0.14478E-02 ppm1      8.386 ppm2      2.099 CV     1
 ASSI {  330}
   (( segid "    " and resid 23   and name HD2 ))
   (( segid "    " and resid 23   and name HB1 ))
      3.200     1.300     1.300 peak   330 weight  0.10000E+01 volume  0.14728E-02 ppm1      3.198 ppm2      2.098 CV     1
 OR {  330}
   (( segid "    " and resid 23   and name HD1 ))
   (( segid "    " and resid 23   and name HB1 ))
 ASSI {   85}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB1 ))
      4.100     2.100     1.900 peak    85 weight  0.10000E+01 volume  0.39940E-03 ppm1      8.255 ppm2      2.096 CV     1
 ASSI {  664}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
      5.100     3.200     0.900 peak   664 weight  0.10000E+01 volume  0.54795E-03 ppm1      4.656 ppm2      1.927 CV     1
 OR {  664}
   (( segid "    " and resid 6    and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  997}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 7    and name HG2 ))
      2.900     1.000     1.000 peak   997 weight  0.10000E+01 volume  0.48678E-02 ppm1      3.946 ppm2      1.924 CV     1
 OR {  997}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 7    and name HB2 ))
 ASSI {  141}
   (( segid "    " and resid 22   and name HE  ))
   (( segid "    " and resid 22   and name HB1 ))
      4.900     3.100     1.100 peak   141 weight  0.10000E+01 volume  0.18347E-03 ppm1      7.224 ppm2      1.919 CV     1
 OR {  141}
   (( segid "    " and resid 22   and name HE  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  920}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HB2 ))
      2.700     0.900     0.900 peak   920 weight  0.10000E+01 volume  0.29580E-02 ppm1      2.285 ppm2      1.911 CV     1
 OR {  920}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  445}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 7    and name HB2 ))
      5.100     3.200     0.900 peak   445 weight  0.10000E+01 volume  0.35946E-03 ppm1      5.290 ppm2      1.910 CV     1
 OR {  445}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 7    and name HG2 ))
 ASSI {  991}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.400     0.700     0.700 peak   991 weight  0.10000E+01 volume  0.57162E-02 ppm1      4.465 ppm2      1.908 CV     1
 OR {  991}
   (( segid "    " and resid 12   and name HA  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  637}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
      2.200     0.600     0.600 peak   637 weight  0.10000E+01 volume  0.43559E-02 ppm1      8.254 ppm2      1.908 CV     1
 OR {  637}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
 ASSI {  154}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 12   and name HB2 ))
      3.900     1.900     1.900 peak   154 weight  0.10000E+01 volume  0.67273E-03 ppm1      7.110 ppm2      1.905 CV     1
 ASSI {  550}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 12   and name HB1 ))
      4.800     2.900     1.200 peak   550 weight  0.10000E+01 volume  0.32825E-03 ppm1      7.514 ppm2      1.904 CV     1
 OR {  550}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI { 1019}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      2.300     0.700     0.700 peak  1019 weight  0.10000E+01 volume  0.94980E-02 ppm1      8.684 ppm2      1.901 CV     1
 OR { 1019}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  286}
   (( segid "    " and resid 21   and name HA1 ))
   (( segid "    " and resid 22   and name HB2 ))
      5.500     3.700     0.500 peak   286 weight  0.10000E+01 volume  0.20594E-03 ppm1      4.310 ppm2      1.900 CV     1
 OR {  286}
   (( segid "    " and resid 21   and name HA1 ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  780}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB1 ))
      2.800     1.000     1.000 peak   780 weight  0.10000E+01 volume  0.40938E-02 ppm1      7.768 ppm2      1.899 CV     1
 OR {  780}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HB2 ))
 ASSI {  294}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB1 ))
      2.400     0.700     0.700 peak   294 weight  0.10000E+01 volume  0.83875E-02 ppm1      4.067 ppm2      1.899 CV     1
 OR {  294}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  714}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB2 ))
      3.300     1.400     1.400 peak   714 weight  0.10000E+01 volume  0.12019E-02 ppm1      8.386 ppm2      1.897 CV     1
 OR {  714}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 22   and name HB1 ))
 ASSI {  806}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HB1 ))
      3.300     1.300     1.300 peak   806 weight  0.10000E+01 volume  0.13604E-02 ppm1      3.236 ppm2      1.896 CV     1
 OR {  806}
   (( segid "    " and resid 22   and name HD1 ))
   (( segid "    " and resid 22   and name HB2 ))
 OR {  806}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HB1 ))
 OR {  806}
   (( segid "    " and resid 22   and name HD2 ))
   (( segid "    " and resid 22   and name HB2 ))
 ASSI {  516}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 2    and name HB1 ))
      4.300     2.300     1.700 peak   516 weight  0.10000E+01 volume  0.60282E-03 ppm1      2.610 ppm2      1.896 CV     1
 ASSI {  508}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 2    and name HB1 ))
      3.600     1.600     1.600 peak   508 weight  0.10000E+01 volume  0.48803E-03 ppm1      2.913 ppm2      1.883 CV     1
 OR {  508}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI {  321}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 2    and name HB2 ))
      4.800     2.900     1.200 peak   321 weight  0.10000E+01 volume  0.29456E-03 ppm1      3.404 ppm2      1.882 CV     1
 OR {  321}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 2    and name HB1 ))
 ASSI {  684}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 2    and name HB2 ))
      4.300     2.300     1.700 peak   684 weight  0.10000E+01 volume  0.63278E-03 ppm1      3.099 ppm2      1.881 CV     1
 OR {  684}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 2    and name HB1 ))
 ASSI {    6}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      3.400     1.500     1.500 peak     6 weight  0.10000E+01 volume  0.15851E-02 ppm1      9.739 ppm2      1.877 CV     1
 OR {    6}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
 ASSI {   15}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      2.500     0.800     0.800 peak    15 weight  0.10000E+01 volume  0.56787E-02 ppm1      9.248 ppm2      1.876 CV     1
 OR {   15}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
 ASSI {  686}
   (( segid "    " and resid 2    and name HE1 ))
   (( segid "    " and resid 2    and name HB1 ))
      4.500     2.500     1.500 peak   686 weight  0.10000E+01 volume  0.55789E-03 ppm1      3.060 ppm2      1.871 CV     1
 OR {  686}
   (( segid "    " and resid 2    and name HE2 ))
   (( segid "    " and resid 2    and name HB1 ))
 OR {  686}
   (( segid "    " and resid 2    and name HE1 ))
   (( segid "    " and resid 2    and name HB2 ))
 OR {  686}
   (( segid "    " and resid 2    and name HE2 ))
   (( segid "    " and resid 2    and name HB2 ))
 ASSI {  634}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      2.800     1.000     1.000 peak   634 weight  0.10000E+01 volume  0.31577E-02 ppm1      8.861 ppm2      1.854 CV     1
 ASSI {  438}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      4.300     2.300     1.700 peak   438 weight  0.10000E+01 volume  0.50925E-03 ppm1      7.841 ppm2      1.851 CV     1
 ASSI {  996}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.500     0.800     0.800 peak   996 weight  0.10000E+01 volume  0.54545E-02 ppm1      3.970 ppm2      1.826 CV     1
 OR {  996}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HB2 ))
 ASSI {  410}
   (  segid "    " and resid 11   and name HG2%)
   (( segid "    " and resid 9    and name HB2 ))
      3.700     1.700     1.700 peak   410 weight  0.10000E+01 volume  0.93607E-03 ppm1      1.169 ppm2      1.817 CV     1
 ASSI {  549}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 9    and name HB2 ))
      4.200     2.200     1.800 peak   549 weight  0.10000E+01 volume  0.81628E-03 ppm1      7.516 ppm2      1.808 CV     1
 OR {  549}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 9    and name HB1 ))
 ASSI { 1023}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB1 ))
      2.500     0.800     0.800 peak  1023 weight  0.10000E+01 volume  0.51924E-02 ppm1      4.453 ppm2      1.805 CV     1
 OR { 1023}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI {  875}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB2 ))
      2.600     0.900     0.900 peak   875 weight  0.10000E+01 volume  0.40189E-02 ppm1      8.771 ppm2      1.785 CV     1
 ASSI {  998}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.700     0.900     0.900 peak   998 weight  0.10000E+01 volume  0.46556E-02 ppm1      3.701 ppm2      1.784 CV     1
 ASSI {  146}
   (( segid "    " and resid 19   and name HE  ))
   (( segid "    " and resid 19   and name HB2 ))
      5.100     3.300     0.900 peak   146 weight  0.10000E+01 volume  0.17349E-03 ppm1      7.165 ppm2      1.783 CV     1
 ASSI { 1036}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      2.300     0.700     0.700 peak  1036 weight  0.10000E+01 volume  0.11458E-01 ppm1      8.146 ppm2      1.783 CV     1
 ASSI {  632}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.900     1.900     1.900 peak   632 weight  0.10000E+01 volume  0.91364E-03 ppm1      8.905 ppm2      1.782 CV     1
 ASSI {  426}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB1 ))
      3.600     1.600     1.600 peak   426 weight  0.10000E+01 volume  0.16849E-02 ppm1      8.472 ppm2      1.761 CV     1
 OR {  426}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HB2 ))
 ASSI {  980}
   (( segid "    " and resid 23   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      2.400     0.700     0.700 peak   980 weight  0.10000E+01 volume  0.58160E-02 ppm1      8.397 ppm2      1.760 CV     1
 ASSI {  441}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      4.100     2.100     1.900 peak   441 weight  0.10000E+01 volume  0.45182E-03 ppm1      7.097 ppm2      1.752 CV     1
 ASSI {   82}
   (( segid "    " and resid 24   and name HN  ))
   (( segid "    " and resid 23   and name HB2 ))
      3.900     1.900     1.900 peak    82 weight  0.10000E+01 volume  0.64152E-03 ppm1      8.255 ppm2      1.745 CV     1
 ASSI {  595}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG2 ))
      3.000     1.100     1.100 peak   595 weight  0.10000E+01 volume  0.25961E-02 ppm1      4.068 ppm2      1.727 CV     1
 OR {  595}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HG1 ))
 ASSI {  978}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG1 ))
      2.600     0.900     0.900 peak   978 weight  0.10000E+01 volume  0.47929E-02 ppm1      8.684 ppm2      1.719 CV     1
 OR {  978}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 22   and name HG2 ))
 ASSI { 1055}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HG1 ))
      2.400     0.700     0.700 peak  1055 weight  0.10000E+01 volume  0.71018E-02 ppm1      1.881 ppm2      1.719 CV     1
 OR { 1055}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HG2 ))
 OR { 1055}
   (( segid "    " and resid 22   and name HB1 ))
   (( segid "    " and resid 22   and name HG1 ))
 OR { 1055}
   (( segid "    " and resid 22   and name HB2 ))
   (( segid "    " and resid 22   and name HG2 ))
 ASSI {  858}
   (( segid "    " and resid 10   and name HE2 ))
   (( segid "    " and resid 10   and name HD1 ))
      2.900     1.100     1.100 peak   858 weight  0.10000E+01 volume  0.22341E-02 ppm1      2.965 ppm2      1.695 CV     1
 OR {  858}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 10   and name HD2 ))
 OR {  858}
   (( segid "    " and resid 10   and name HE2 ))
   (( segid "    " and resid 10   and name HD2 ))
 OR {  858}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 10   and name HD1 ))
 ASSI {   25}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HG2 ))
      4.500     2.500     1.500 peak    25 weight  0.10000E+01 volume  0.35197E-03 ppm1      9.248 ppm2      1.691 CV     1
 ASSI { 1037}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.200     0.600     0.600 peak  1037 weight  0.10000E+01 volume  0.97352E-02 ppm1      8.146 ppm2      1.689 CV     1
 ASSI {  955}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HB2 ))
      2.500     0.800     0.800 peak   955 weight  0.10000E+01 volume  0.54170E-02 ppm1      3.687 ppm2      1.688 CV     1
 OR {  955}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HD2 ))
 ASSI {  820}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 9    and name HG1 ))
      3.600     1.600     1.600 peak   820 weight  0.10000E+01 volume  0.10534E-02 ppm1      2.326 ppm2      1.688 CV     1
 OR {  820}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI {  122}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HG1 ))
      3.900     1.900     1.900 peak   122 weight  0.10000E+01 volume  0.46681E-03 ppm1      7.767 ppm2      1.687 CV     1
 OR {  122}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI {  633}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      4.100     2.100     1.900 peak   633 weight  0.10000E+01 volume  0.89991E-03 ppm1      8.904 ppm2      1.687 CV     1
 OR {  633}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HD2 ))
 ASSI {  493}
   (( segid "    " and resid 24   and name HA2 ))
   (( segid "    " and resid 10   and name HD1 ))
      4.400     2.400     1.600 peak   493 weight  0.10000E+01 volume  0.28082E-03 ppm1      3.761 ppm2      1.685 CV     1
 OR {  493}
   (( segid "    " and resid 24   and name HA2 ))
   (( segid "    " and resid 10   and name HD2 ))
 ASSI {  938}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG2 ))
      2.300     0.600     0.600 peak   938 weight  0.10000E+01 volume  0.61905E-02 ppm1      8.808 ppm2      1.684 CV     1
 OR {  938}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG1 ))
 ASSI {  134}
   (( segid "    " and resid 26   and name H2  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.600     1.600     1.600 peak   134 weight  0.10000E+01 volume  0.21468E-03 ppm1      7.449 ppm2      1.684 CV     1
 OR {  134}
   (( segid "    " and resid 26   and name H2  ))
   (( segid "    " and resid 4    and name HD2 ))
 OR {  134}
   (( segid "    " and resid 26   and name H2  ))
   (( segid "    " and resid 4    and name HD1 ))
 ASSI {  548}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 9    and name HG1 ))
      2.500     0.800     0.800 peak   548 weight  0.10000E+01 volume  0.46180E-02 ppm1      7.516 ppm2      1.683 CV     1
 OR {  548}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI {  172}
   (( segid "    " and resid 9    and name HH11))
   (( segid "    " and resid 9    and name HG1 ))
      4.400     2.400     1.600 peak   172 weight  0.10000E+01 volume  0.54795E-03 ppm1      6.804 ppm2      1.683 CV     1
 OR {  172}
   (( segid "    " and resid 9    and name HH11))
   (( segid "    " and resid 9    and name HG2 ))
 OR {  172}
   (( segid "    " and resid 9    and name HH12))
   (( segid "    " and resid 9    and name HG1 ))
 OR {  172}
   (( segid "    " and resid 9    and name HH12))
   (( segid "    " and resid 9    and name HG2 ))
 OR {  172}
   (( segid "    " and resid 9    and name HH22))
   (( segid "    " and resid 9    and name HG1 ))
 OR {  172}
   (( segid "    " and resid 9    and name HH22))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI {  110}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HG1 ))
      3.700     1.700     1.700 peak   110 weight  0.10000E+01 volume  0.57911E-03 ppm1      7.916 ppm2      1.681 CV     1
 OR {  110}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI {  303}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HD2 ))
      4.500     2.500     1.500 peak   303 weight  0.10000E+01 volume  0.43185E-03 ppm1      3.969 ppm2      1.675 CV     1
 OR {  303}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HD1 ))
 ASSI {  540}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HG2 ))
      3.600     1.600     1.600 peak   540 weight  0.10000E+01 volume  0.82377E-03 ppm1      8.472 ppm2      1.632 CV     1
 OR {  540}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
 ASSI {  492}
   (( segid "    " and resid 3    and name HA2 ))
   (( segid "    " and resid 2    and name HD1 ))
      5.200     3.400     0.800 peak   492 weight  0.10000E+01 volume  0.22965E-03 ppm1      3.793 ppm2      1.569 CV     1
 OR {  492}
   (( segid "    " and resid 3    and name HA2 ))
   (( segid "    " and resid 2    and name HD2 ))
 ASSI {  693}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 2    and name HD1 ))
      4.200     2.200     1.800 peak   693 weight  0.10000E+01 volume  0.44683E-03 ppm1      2.785 ppm2      1.563 CV     1
 OR {  693}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 2    and name HD2 ))
 ASSI {  617}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 2    and name HD2 ))
      4.500     2.500     1.500 peak   617 weight  0.10000E+01 volume  0.82252E-03 ppm1      2.610 ppm2      1.561 CV     1
 OR {  617}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 2    and name HD1 ))
 ASSI {   19}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HD1 ))
      3.200     1.300     1.300 peak    19 weight  0.10000E+01 volume  0.25586E-02 ppm1      9.247 ppm2      1.560 CV     1
 OR {   19}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HD2 ))
 ASSI {  504}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 2    and name HD2 ))
      4.100     2.100     1.900 peak   504 weight  0.10000E+01 volume  0.46681E-03 ppm1      3.404 ppm2      1.560 CV     1
 OR {  504}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 2    and name HD1 ))
 ASSI {  587}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HD1 ))
      3.600     1.700     1.700 peak   587 weight  0.10000E+01 volume  0.10035E-02 ppm1      4.623 ppm2      1.557 CV     1
 OR {  587}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 2    and name HD2 ))
 ASSI {  145}
   (( segid "    " and resid 19   and name HE  ))
   (( segid "    " and resid 19   and name HG1 ))
      4.600     2.700     1.400 peak   145 weight  0.10000E+01 volume  0.16849E-03 ppm1      7.166 ppm2      1.544 CV     1
 ASSI {  907}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 25   and name HB1 ))
      2.700     0.900     0.900 peak   907 weight  0.10000E+01 volume  0.17224E-02 ppm1      3.020 ppm2      1.502 CV     1
 ASSI {  139}
   (( segid "    " and resid 25   and name HE  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.900     1.900     1.900 peak   139 weight  0.10000E+01 volume  0.95978E-03 ppm1      7.223 ppm2      1.496 CV     1
 ASSI {  597}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 10   and name HG1 ))
      4.400     2.400     1.600 peak   597 weight  0.10000E+01 volume  0.35072E-03 ppm1      4.042 ppm2      1.494 CV     1
 ASSI {  812}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 25   and name HB1 ))
      3.600     1.600     1.600 peak   812 weight  0.10000E+01 volume  0.11645E-02 ppm1      3.103 ppm2      1.489 CV     1
 ASSI {  604}
   (( segid "    " and resid 24   and name HA2 ))
   (( segid "    " and resid 10   and name HG1 ))
      3.800     1.800     1.800 peak   604 weight  0.10000E+01 volume  0.39440E-03 ppm1      3.752 ppm2      1.489 CV     1
 ASSI {  880}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.400     0.700     0.700 peak   880 weight  0.10000E+01 volume  0.42436E-02 ppm1      5.291 ppm2      1.488 CV     1
 ASSI {  370}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 25   and name HB1 ))
      5.200     3.400     0.800 peak   370 weight  0.10000E+01 volume  0.18347E-03 ppm1      2.095 ppm2      1.488 CV     1
 ASSI {  551}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      3.100     1.200     1.200 peak   551 weight  0.10000E+01 volume  0.39690E-02 ppm1      7.096 ppm2      1.486 CV     1
 ASSI {  934}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      2.800     1.000     1.000 peak   934 weight  0.10000E+01 volume  0.28082E-02 ppm1      8.927 ppm2      1.484 CV     1
 ASSI {  876}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG1 ))
      2.600     0.900     0.900 peak   876 weight  0.10000E+01 volume  0.27708E-02 ppm1      8.709 ppm2      1.484 CV     1
 ASSI {  674}
   (( segid "    " and resid 21   and name HA1 ))
   (( segid "    " and resid 25   and name HB1 ))
      4.400     2.400     1.600 peak   674 weight  0.10000E+01 volume  0.44183E-03 ppm1      4.316 ppm2      1.481 CV     1
 ASSI {  486}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HG1 ))
      5.000     3.100     1.000 peak   486 weight  0.10000E+01 volume  0.25462E-03 ppm1      4.455 ppm2      1.480 CV     1
 ASSI { 1017}
   (( segid "    " and resid 4    and name HD2 ))
   (( segid "    " and resid 4    and name HG1 ))
      2.700     0.900     0.900 peak  1017 weight  0.10000E+01 volume  0.35946E-02 ppm1      1.657 ppm2      1.479 CV     1
 OR { 1017}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HG1 ))
 ASSI {   64}
   (( segid "    " and resid 26   and name H1  ))
   (( segid "    " and resid 4    and name HG1 ))
      4.500     2.500     1.500 peak    64 weight  0.10000E+01 volume  0.24837E-03 ppm1      8.537 ppm2      1.469 CV     1
 ASSI {  132}
   (( segid "    " and resid 26   and name H2  ))
   (( segid "    " and resid 4    and name HG1 ))
      3.400     1.400     1.400 peak   132 weight  0.10000E+01 volume  0.65026E-03 ppm1      7.449 ppm2      1.465 CV     1
 ASSI {   99}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HG1 ))
      4.400     2.400     1.600 peak    99 weight  0.10000E+01 volume  0.88993E-03 ppm1      8.147 ppm2      1.464 CV     1
 ASSI {  988}
   (( segid "    " and resid 6    and name HA  ))
   (  segid "    " and resid 6    and name HB% )
      2.300     0.600     0.600 peak   988 weight  0.10000E+01 volume  0.96353E-02 ppm1      4.653 ppm2      1.416 CV     1
 ASSI {  319}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 2    and name HG1 ))
      5.000     3.100     1.000 peak   319 weight  0.10000E+01 volume  0.24588E-03 ppm1      3.433 ppm2      1.416 CV     1
 ASSI {  491}
   (( segid "    " and resid 3    and name HA2 ))
   (  segid "    " and resid 6    and name HB% )
      4.400     2.400     1.600 peak   491 weight  0.10000E+01 volume  0.72890E-03 ppm1      3.807 ppm2      1.415 CV     1
 ASSI {  437}
   (( segid "    " and resid 6    and name HN  ))
   (  segid "    " and resid 6    and name HB% )
      2.100     0.500     0.500 peak   437 weight  0.10000E+01 volume  0.18597E-01 ppm1      7.840 ppm2      1.415 CV     1
 ASSI {  689}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 2    and name HG1 ))
      4.300     2.300     1.700 peak   689 weight  0.10000E+01 volume  0.46431E-03 ppm1      2.885 ppm2      1.415 CV     1
 ASSI {  367}
   (( segid "    " and resid 7    and name HG1 ))
   (  segid "    " and resid 6    and name HB% )
      5.000     3.200     1.000 peak   367 weight  0.10000E+01 volume  0.54545E-03 ppm1      2.162 ppm2      1.415 CV     1
 ASSI {  898}
   (( segid "    " and resid 7    and name HD1 ))
   (  segid "    " and resid 6    and name HB% )
      3.400     1.400     1.400 peak   898 weight  0.10000E+01 volume  0.38941E-02 ppm1      3.949 ppm2      1.414 CV     1
 ASSI {  292}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 10   and name HG2 ))
      3.900     1.900     1.900 peak   292 weight  0.10000E+01 volume  0.37818E-03 ppm1      4.088 ppm2      1.414 CV     1
 ASSI {   11}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 2    and name HG1 ))
      4.500     2.500     1.500 peak    11 weight  0.10000E+01 volume  0.40065E-03 ppm1      9.739 ppm2      1.414 CV     1
 ASSI {   20}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HG1 ))
      2.500     0.800     0.800 peak    20 weight  0.10000E+01 volume  0.22466E-02 ppm1      9.247 ppm2      1.412 CV     1
 ASSI {  618}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 2    and name HG1 ))
      4.600     2.700     1.400 peak   618 weight  0.10000E+01 volume  0.62904E-03 ppm1      2.610 ppm2      1.412 CV     1
 ASSI {  490}
   (( segid "    " and resid 3    and name HA1 ))
   (  segid "    " and resid 6    and name HB% )
      4.200     2.200     1.800 peak   490 weight  0.10000E+01 volume  0.32576E-03 ppm1      4.124 ppm2      1.411 CV     1
 ASSI {  692}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 2    and name HG1 ))
      3.200     1.300     1.300 peak   692 weight  0.10000E+01 volume  0.55664E-03 ppm1      2.791 ppm2      1.396 CV     1
 ASSI {  933}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.000     1.100     1.100 peak   933 weight  0.10000E+01 volume  0.46930E-02 ppm1      8.928 ppm2      1.366 CV     1
 OR {  933}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
 ASSI {  881}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG2 ))
      2.500     0.800     0.800 peak   881 weight  0.10000E+01 volume  0.55414E-02 ppm1      5.291 ppm2      1.359 CV     1
 OR {  881}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HB2 ))
 OR {  881}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 25   and name HG1 ))
 ASSI {  140}
   (( segid "    " and resid 25   and name HE  ))
   (( segid "    " and resid 25   and name HG1 ))
      3.700     1.700     1.700 peak   140 weight  0.10000E+01 volume  0.69520E-03 ppm1      7.223 ppm2      1.358 CV     1
 OR {  140}
   (( segid "    " and resid 25   and name HE  ))
   (( segid "    " and resid 25   and name HG2 ))
 ASSI {  552}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HB2 ))
      3.100     1.200     1.200 peak   552 weight  0.10000E+01 volume  0.13355E-02 ppm1      7.113 ppm2      1.354 CV     1
 OR {  552}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG2 ))
 OR {  552}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 25   and name HG1 ))
 ASSI {  690}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HG2 ))
      4.000     2.000     2.000 peak   690 weight  0.10000E+01 volume  0.57162E-03 ppm1      2.816 ppm2      1.345 CV     1
 OR {  690}
   (( segid "    " and resid 16   and name HB1 ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  925}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HG1 ))
      2.800     1.000     1.000 peak   925 weight  0.10000E+01 volume  0.27833E-02 ppm1      1.759 ppm2      1.344 CV     1
 OR {  925}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HG2 ))
 OR {  925}
   (( segid "    " and resid 17   and name HB1 ))
   (( segid "    " and resid 17   and name HG1 ))
 OR {  925}
   (( segid "    " and resid 17   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI {  295}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 25   and name HG2 ))
      4.400     2.400     1.600 peak   295 weight  0.10000E+01 volume  0.25087E-03 ppm1      4.046 ppm2      1.344 CV     1
 OR {  295}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 25   and name HG1 ))
 OR {  295}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 25   and name HB2 ))
 ASSI {  327}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HG2 ))
      4.600     2.700     1.400 peak   327 weight  0.10000E+01 volume  0.50925E-03 ppm1      3.247 ppm2      1.332 CV     1
 OR {  327}
   (( segid "    " and resid 16   and name HB2 ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI {  857}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 25   and name HG2 ))
      3.000     1.100     1.100 peak   857 weight  0.10000E+01 volume  0.12855E-02 ppm1      3.109 ppm2      1.331 CV     1
 OR {  857}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 25   and name HG1 ))
 ASSI {  843}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 25   and name HG2 ))
      3.300     1.300     1.300 peak   843 weight  0.10000E+01 volume  0.17474E-02 ppm1      4.934 ppm2      1.327 CV     1
 OR {  843}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 25   and name HG1 ))
 ASSI {  519}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 25   and name HG2 ))
      4.800     2.900     1.200 peak   519 weight  0.10000E+01 volume  0.23340E-03 ppm1      2.373 ppm2      1.325 CV     1
 OR {  519}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 25   and name HG1 ))
 ASSI {  680}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG2 ))
      3.000     1.200     1.200 peak   680 weight  0.10000E+01 volume  0.13230E-02 ppm1      3.689 ppm2      1.325 CV     1
 ASSI {  371}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 25   and name HG1 ))
      4.400     2.400     1.600 peak   371 weight  0.10000E+01 volume  0.15851E-03 ppm1      2.092 ppm2      1.324 CV     1
 OR {  371}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 25   and name HG2 ))
 ASSI {  135}
   (( segid "    " and resid 26   and name H2  ))
   (( segid "    " and resid 4    and name HG2 ))
      4.300     2.300     1.700 peak   135 weight  0.10000E+01 volume  0.22965E-03 ppm1      7.448 ppm2      1.322 CV     1
 ASSI {  120}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HG2%)
      4.000     2.000     2.000 peak   120 weight  0.10000E+01 volume  0.69145E-03 ppm1      7.768 ppm2      1.175 CV     1
 ASSI {  778}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HG2%)
      3.600     1.600     1.600 peak   778 weight  0.10000E+01 volume  0.26585E-02 ppm1      7.914 ppm2      1.175 CV     1
 ASSI {  487}
   (( segid "    " and resid 11   and name HA  ))
   (  segid "    " and resid 11   and name HG2%)
      2.400     0.700     0.700 peak   487 weight  0.10000E+01 volume  0.99099E-02 ppm1      4.123 ppm2      1.175 CV     1
 ASSI {  279}
   (( segid "    " and resid 12   and name HA  ))
   (  segid "    " and resid 11   and name HG2%)
      4.800     2.900     1.200 peak   279 weight  0.10000E+01 volume  0.24588E-03 ppm1      4.462 ppm2      1.174 CV     1
 ASSI {  302}
   (( segid "    " and resid 10   and name HA  ))
   (  segid "    " and resid 11   and name HG2%)
      4.700     2.800     1.300 peak   302 weight  0.10000E+01 volume  0.49302E-03 ppm1      3.971 ppm2      1.174 CV     1
 ASSI {   50}
   (( segid "    " and resid 10   and name HN  ))
   (  segid "    " and resid 11   and name HG2%)
      4.500     2.600     1.500 peak    50 weight  0.10000E+01 volume  0.52423E-03 ppm1      8.709 ppm2      1.174 CV     1
 ASSI {  393}
   (( segid "    " and resid 9    and name HG1 ))
   (  segid "    " and resid 11   and name HG2%)
      4.800     2.900     1.200 peak   393 weight  0.10000E+01 volume  0.38193E-03 ppm1      1.677 ppm2      1.173 CV     1
 OR {  393}
   (( segid "    " and resid 9    and name HG2 ))
   (  segid "    " and resid 11   and name HG2%)
 ASSI { 1140}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      5.700     4.100     0.300 peak  1140 weight  0.10000E+01 volume  0.14228E-03 ppm1      9.244 ppm2      8.205 CV     1
 ASSI { 1141}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 26   and name H1  ))
      4.300     2.300     1.700 peak  1141 weight  0.10000E+01 volume  0.47555E-03 ppm1      8.904 ppm2      8.542 CV     1
 ASSI { 1147}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      4.700     2.800     1.300 peak  1147 weight  0.10000E+01 volume  0.18847E-03 ppm1      8.772 ppm2      8.209 CV     1
 ASSI { 1148}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 14   and name HN  ))
      5.000     3.200     1.000 peak  1148 weight  0.10000E+01 volume  0.17598E-03 ppm1      8.815 ppm2      8.211 CV     1
 ASSI { 1150}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      4.800     2.900     1.200 peak  1150 weight  0.10000E+01 volume  0.13854E-03 ppm1      8.773 ppm2      7.770 CV     1
 ASSI { 1151}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      5.000     3.100     1.000 peak  1151 weight  0.10000E+01 volume  0.13480E-03 ppm1      8.806 ppm2      7.925 CV     1
 ASSI { 1152}
   (( segid "    " and resid 22   and name HN  ))
   (( segid "    " and resid 21   and name HN  ))
      4.100     2.100     1.900 peak  1152 weight  0.10000E+01 volume  0.12481E-02 ppm1      8.684 ppm2      7.935 CV     1
 ASSI { 1160}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HD1 ))
      5.300     3.500     0.700 peak  1160 weight  0.10000E+01 volume  0.16226E-03 ppm1      9.739 ppm2      1.632 CV     1
 OR { 1160}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HD2 ))
 ASSI { 1161}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      4.800     2.900     1.200 peak  1161 weight  0.10000E+01 volume  0.24837E-03 ppm1      9.737 ppm2      1.342 CV     1
 OR { 1161}
   (( segid "    " and resid 16   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1163}
   (( segid "    " and resid 13   and name HN  ))
   (  segid "    " and resid 11   and name HG2%)
      3.800     1.800     1.800 peak  1163 weight  0.10000E+01 volume  0.14353E-03 ppm1      8.261 ppm2      1.174 CV     1
 ASSI { 1165}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG1 ))
      3.500     1.500     1.500 peak  1165 weight  0.10000E+01 volume  0.15726E-02 ppm1      8.902 ppm2      1.461 CV     1
 ASSI { 1166}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HG2 ))
      2.800     1.000     1.000 peak  1166 weight  0.10000E+01 volume  0.18971E-02 ppm1      8.902 ppm2      1.324 CV     1
 ASSI { 1167}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 2    and name HB2 ))
      4.500     2.500     1.500 peak  1167 weight  0.10000E+01 volume  0.18847E-03 ppm1      8.928 ppm2      1.887 CV     1
 OR { 1167}
   (( segid "    " and resid 26   and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
 ASSI { 1168}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
      4.700     2.800     1.300 peak  1168 weight  0.10000E+01 volume  0.41063E-03 ppm1      8.805 ppm2      1.904 CV     1
 ASSI { 1169}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.100     1.200     1.200 peak  1169 weight  0.10000E+01 volume  0.17224E-02 ppm1      8.801 ppm2      1.808 CV     1
 OR { 1169}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB2 ))
 ASSI { 1170}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HG2 ))
      5.300     3.500     0.700 peak  1170 weight  0.10000E+01 volume  0.34074E-03 ppm1      8.858 ppm2      1.695 CV     1
 ASSI { 1171}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HB1 ))
      3.000     1.100     1.100 peak  1171 weight  0.10000E+01 volume  0.20719E-02 ppm1      8.770 ppm2      1.658 CV     1
 ASSI { 1172}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 19   and name HG1 ))
      4.100     2.200     1.900 peak  1172 weight  0.10000E+01 volume  0.92358E-03 ppm1      8.770 ppm2      1.563 CV     1
 ASSI { 1173}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG2 ))
      3.500     1.600     1.600 peak  1173 weight  0.10000E+01 volume  0.15102E-02 ppm1      8.709 ppm2      1.397 CV     1
 ASSI { 1174}
   (( segid "    " and resid 26   and name H1  ))
   (( segid "    " and resid 4    and name HG2 ))
      5.300     3.500     0.700 peak  1174 weight  0.10000E+01 volume  0.13105E-03 ppm1      8.537 ppm2      1.326 CV     1
 ASSI { 1178}
   (( segid "    " and resid 19   and name HN  ))
   (( segid "    " and resid 19   and name HG1 ))
      3.200     1.300     1.300 peak  1178 weight  0.10000E+01 volume  0.27458E-02 ppm1      8.404 ppm2      1.541 CV     1
 ASSI { 1179}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 25   and name HB1 ))
      5.300     3.500     0.700 peak  1179 weight  0.10000E+01 volume  0.27583E-03 ppm1      8.440 ppm2      1.494 CV     1
 ASSI { 1181}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.700     1.700     1.700 peak  1181 weight  0.10000E+01 volume  0.69769E-03 ppm1      8.406 ppm2      1.338 CV     1
 OR { 1181}
   (( segid "    " and resid 17   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1182}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG2 ))
      3.200     1.300     1.300 peak  1182 weight  0.10000E+01 volume  0.47180E-03 ppm1      8.470 ppm2      1.335 CV     1
 OR { 1182}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1187}
   (( segid "    " and resid 23   and name HE  ))
   (( segid "    " and resid 23   and name HB2 ))
      5.300     3.500     0.700 peak  1187 weight  0.10000E+01 volume  0.10035E-03 ppm1      7.218 ppm2      1.749 CV     1
 ASSI { 1190}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 12   and name HG1 ))
      5.700     4.100     0.300 peak  1190 weight  0.10000E+01 volume  0.11570E-03 ppm1      7.109 ppm2      2.318 CV     1
 OR { 1190}
   (  segid "    " and resid 13   and name HD% )
   (( segid "    " and resid 12   and name HG2 ))
 ASSI { 1191}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      6.000     4.600     0.000 peak  1191 weight  0.10000E+01 volume  0.12132E-03 ppm1      7.909 ppm2      2.305 CV     1
 OR { 1191}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HG1 ))
 ASSI { 1192}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG1 ))
      6.000     4.400     0.000 peak  1192 weight  0.10000E+01 volume  0.14603E-03 ppm1      8.449 ppm2      2.173 CV     1
 ASSI { 1194}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HB2 ))
      4.700     2.800     1.300 peak  1194 weight  0.10000E+01 volume  0.26086E-03 ppm1      8.470 ppm2      2.706 CV     1
 ASSI { 1195}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      3.000     1.100     1.100 peak  1195 weight  0.10000E+01 volume  0.15726E-02 ppm1      8.438 ppm2      2.903 CV     1
 ASSI { 1197}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HG2 ))
      5.400     3.600     0.600 peak  1197 weight  0.10000E+01 volume  0.13230E-03 ppm1      8.816 ppm2      2.338 CV     1
 ASSI { 1198}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 14   and name HB1 ))
      4.000     2.000     2.000 peak  1198 weight  0.10000E+01 volume  0.76135E-03 ppm1      8.806 ppm2      2.800 CV     1
 ASSI { 1200}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 2    and name HE1 ))
      3.700     1.700     1.700 peak  1200 weight  0.10000E+01 volume  0.29955E-03 ppm1      8.806 ppm2      3.075 CV     1
 OR { 1200}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 2    and name HE2 ))
 ASSI { 1201}
   (( segid "    " and resid 25   and name HE  ))
   (( segid "    " and resid 25   and name HD1 ))
      3.400     1.500     1.500 peak  1201 weight  0.10000E+01 volume  0.76884E-03 ppm1      7.220 ppm2      3.117 CV     1
 ASSI { 1202}
   (( segid "    " and resid 25   and name HE  ))
   (( segid "    " and resid 5    and name HA2 ))
      4.700     2.700     1.300 peak  1202 weight  0.10000E+01 volume  0.11807E-03 ppm1      7.223 ppm2      3.604 CV     1
 ASSI { 1203}
   (( segid "    " and resid 9    and name HE  ))
   (( segid "    " and resid 9    and name HD1 ))
      3.100     1.200     1.200 peak  1203 weight  0.10000E+01 volume  0.12481E-02 ppm1      7.515 ppm2      3.229 CV     1
 ASSI { 1204}
   (( segid "    " and resid 18   and name HN  ))
   (( segid "    " and resid 15   and name HB1 ))
      4.200     2.200     1.800 peak  1204 weight  0.10000E+01 volume  0.24713E-03 ppm1      8.473 ppm2      3.125 CV     1
 ASSI { 1208}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 24   and name HA2 ))
      3.800     1.800     1.800 peak  1208 weight  0.10000E+01 volume  0.51050E-03 ppm1      8.438 ppm2      3.744 CV     1
 ASSI { 1209}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.000     2.000     2.000 peak  1209 weight  0.10000E+01 volume  0.37444E-03 ppm1      8.771 ppm2      3.418 CV     1
 ASSI { 1210}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 26   and name HB1 ))
      2.800     0.900     0.900 peak  1210 weight  0.10000E+01 volume  0.48928E-02 ppm1      8.900 ppm2      3.172 CV     1
 OR { 1210}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 26   and name HB2 ))
 ASSI { 1211}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HD2 ))
      5.800     4.300     0.200 peak  1211 weight  0.10000E+01 volume  0.13105E-03 ppm1      8.705 ppm2      3.207 CV     1
 OR { 1211}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HD1 ))
 ASSI { 1214}
   (( segid "    " and resid 25   and name HN  ))
   (( segid "    " and resid 21   and name HA2 ))
      4.800     2.900     1.200 peak  1214 weight  0.10000E+01 volume  0.56787E-03 ppm1      7.107 ppm2      4.125 CV     1
 ASSI { 1215}
   (( segid "    " and resid 25   and name HE  ))
   (( segid "    " and resid 7    and name HD1 ))
      4.600     2.700     1.400 peak  1215 weight  0.10000E+01 volume  0.11196E-03 ppm1      7.223 ppm2      3.952 CV     1
 ASSI { 1216}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 3    and name HA1 ))
      4.600     2.700     1.400 peak  1216 weight  0.10000E+01 volume  0.17723E-03 ppm1      7.837 ppm2      4.119 CV     1
 ASSI { 1217}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB  ))
      3.000     1.100     1.100 peak  1217 weight  0.10000E+01 volume  0.15227E-02 ppm1      7.912 ppm2      4.379 CV     1
 ASSI { 1219}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 24   and name HA1 ))
      4.000     2.000     2.000 peak  1219 weight  0.10000E+01 volume  0.47804E-03 ppm1      8.436 ppm2      4.019 CV     1
 ASSI { 1220}
   (( segid "    " and resid 20   and name HN  ))
   (( segid "    " and resid 20   and name HA  ))
      3.000     1.100     1.100 peak  1220 weight  0.10000E+01 volume  0.18098E-02 ppm1      8.771 ppm2      4.629 CV     1
 ASSI { 1221}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      5.000     3.100     1.000 peak  1221 weight  0.10000E+01 volume  0.11021E-03 ppm1      8.816 ppm2      3.983 CV     1
 ASSI { 1225}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 2    and name HN  ))
      5.500     3.700     0.500 peak  1225 weight  0.10000E+01 volume  0.15976E-03 ppm1      2.697 ppm2      9.251 CV     1
 ASSI { 1228}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 8    and name HN  ))
      2.900     1.000     1.000 peak  1228 weight  0.10000E+01 volume  0.22341E-02 ppm1      4.970 ppm2      8.444 CV     1
 ASSI { 1231}
   (( segid "    " and resid 13   and name HA  ))
   (( segid "    " and resid 13   and name HN  ))
      2.500     0.800     0.800 peak  1231 weight  0.10000E+01 volume  0.33824E-02 ppm1      4.705 ppm2      8.256 CV     1
 ASSI { 1233}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HN  ))
      2.600     0.900     0.900 peak  1233 weight  0.10000E+01 volume  0.44059E-02 ppm1      4.079 ppm2      8.689 CV     1
 ASSI { 1236}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 8    and name HN  ))
      5.300     3.500     0.700 peak  1236 weight  0.10000E+01 volume  0.11995E-03 ppm1      3.654 ppm2      8.443 CV     1
 ASSI { 1237}
   (( segid "    " and resid 7    and name HD1 ))
   (( segid "    " and resid 8    and name HN  ))
      5.400     3.700     0.600 peak  1237 weight  0.10000E+01 volume  0.13854E-03 ppm1      3.945 ppm2      8.441 CV     1
 ASSI { 1243}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 26   and name HN  ))
      3.600     1.700     1.700 peak  1243 weight  0.10000E+01 volume  0.20719E-02 ppm1      3.115 ppm2      8.930 CV     1
 ASSI { 1244}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 26   and name H1  ))
      4.300     2.300     1.700 peak  1244 weight  0.10000E+01 volume  0.22591E-03 ppm1      3.116 ppm2      8.543 CV     1
 ASSI { 1245}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 14   and name HN  ))
      4.100     2.100     1.900 peak  1245 weight  0.10000E+01 volume  0.10896E-02 ppm1      3.295 ppm2      8.202 CV     1
 ASSI { 1248}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 14   and name HN  ))
      3.900     1.900     1.900 peak  1248 weight  0.10000E+01 volume  0.96353E-03 ppm1      2.896 ppm2      8.200 CV     1
 ASSI { 1251}
   (( segid "    " and resid 17   and name HD2 ))
   (( segid "    " and resid 18   and name HN  ))
      3.800     1.800     1.800 peak  1251 weight  0.10000E+01 volume  0.14977E-03 ppm1      1.624 ppm2      8.500 CV     1
 OR { 1251}
   (( segid "    " and resid 17   and name HD1 ))
   (( segid "    " and resid 18   and name HN  ))
 ASSI { 1255}
   (( segid "    " and resid 10   and name HG1 ))
   (( segid "    " and resid 24   and name HN  ))
      5.500     3.700     0.500 peak  1255 weight  0.10000E+01 volume  0.10497E-03 ppm1      1.466 ppm2      8.252 CV     1
 ASSI { 1257}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 9    and name HN  ))
      3.500     1.500     1.500 peak  1257 weight  0.10000E+01 volume  0.13480E-02 ppm1      1.715 ppm2      8.812 CV     1
 ASSI { 1264}
   (( segid "    " and resid 25   and name HG2 ))
   (( segid "    " and resid 26   and name HN  ))
      3.800     1.800     1.800 peak  1264 weight  0.10000E+01 volume  0.20219E-02 ppm1      1.356 ppm2      8.932 CV     1
 OR { 1264}
   (( segid "    " and resid 25   and name HG1 ))
   (( segid "    " and resid 26   and name HN  ))
 ASSI { 1269}
   (( segid "    " and resid 25   and name HA  ))
   (( segid "    " and resid 21   and name HN  ))
      4.600     2.600     1.400 peak  1269 weight  0.10000E+01 volume  0.17848E-03 ppm1      5.294 ppm2      7.933 CV     1
 ASSI { 1272}
   (( segid "    " and resid 21   and name HA2 ))
   (( segid "    " and resid 21   and name HN  ))
      2.700     0.900     0.900 peak  1272 weight  0.10000E+01 volume  0.54670E-02 ppm1      4.100 ppm2      7.933 CV     1
 ASSI { 1278}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 6    and name HN  ))
      6.000     4.500     0.000 peak  1278 weight  0.10000E+01 volume  0.15102E-03 ppm1      3.645 ppm2      7.838 CV     1
 ASSI { 1281}
   (( segid "    " and resid 21   and name HA1 ))
   (( segid "    " and resid 25   and name HN  ))
      4.400     2.400     1.600 peak  1281 weight  0.10000E+01 volume  0.15352E-03 ppm1      4.315 ppm2      7.106 CV     1
 ASSI { 1285}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 6    and name HN  ))
      3.900     1.900     1.900 peak  1285 weight  0.10000E+01 volume  0.79381E-03 ppm1      3.118 ppm2      7.845 CV     1
 ASSI { 1287}
   (( segid "    " and resid 15   and name HB1 ))
   (( segid "    " and resid 26   and name H2  ))
      5.200     3.300     0.800 peak  1287 weight  0.10000E+01 volume  0.26335E-03 ppm1      3.125 ppm2      7.453 CV     1
 ASSI { 1291}
   (( segid "    " and resid 12   and name HB2 ))
   (  segid "    " and resid 13   and name HD% )
      5.200     3.400     0.800 peak  1291 weight  0.10000E+01 volume  0.19845E-03 ppm1      1.902 ppm2      7.126 CV     1
 OR { 1291}
   (( segid "    " and resid 12   and name HB1 ))
   (  segid "    " and resid 13   and name HD% )
 ASSI { 1293}
   (( segid "    " and resid 2    and name HG2 ))
   (( segid "    " and resid 9    and name HE  ))
      4.600     2.700     1.400 peak  1293 weight  0.10000E+01 volume  0.41313E-03 ppm1      1.720 ppm2      7.518 CV     1
 ASSI { 1300}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HN  ))
      3.200     1.300     1.300 peak  1300 weight  0.10000E+01 volume  0.91240E-03 ppm1      1.373 ppm2      7.107 CV     1
 ASSI { 1302}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 9    and name HH21))
      4.600     2.700     1.400 peak  1302 weight  0.10000E+01 volume  0.14353E-03 ppm1      2.286 ppm2      6.816 CV     1
 OR { 1302}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 9    and name HH22))
 ASSI { 1306}
   (( segid "    " and resid 24   and name HA2 ))
   (( segid "    " and resid 25   and name HA  ))
      4.500     2.500     1.500 peak  1306 weight  0.10000E+01 volume  0.21093E-03 ppm1      3.752 ppm2      5.296 CV     1
 ASSI { 1308}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      5.600     4.000     0.400 peak  1308 weight  0.10000E+01 volume  0.15477E-03 ppm1      3.402 ppm2      5.297 CV     1
 ASSI { 1309}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 2    and name HA  ))
      5.000     3.200     1.000 peak  1309 weight  0.10000E+01 volume  0.17848E-03 ppm1      3.104 ppm2      4.539 CV     1
 ASSI { 1313}
   (( segid "    " and resid 14   and name HB1 ))
   (( segid "    " and resid 15   and name HA  ))
      3.500     1.600     1.600 peak  1313 weight  0.10000E+01 volume  0.80255E-03 ppm1      2.785 ppm2      4.955 CV     1
 ASSI { 1314}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      4.000     2.000     2.000 peak  1314 weight  0.10000E+01 volume  0.74513E-03 ppm1      2.609 ppm2      4.961 CV     1
 ASSI { 1316}
   (( segid "    " and resid 14   and name HB2 ))
   (( segid "    " and resid 11   and name HB  ))
      3.900     1.900     1.900 peak  1316 weight  0.10000E+01 volume  0.11982E-03 ppm1      2.612 ppm2      4.376 CV     1
 ASSI { 1320}
   (( segid "    " and resid 25   and name HB2 ))
   (( segid "    " and resid 25   and name HA  ))
      2.900     1.000     1.000 peak  1320 weight  0.10000E+01 volume  0.30829E-02 ppm1      1.371 ppm2      5.296 CV     1
 ASSI { 1321}
   (( segid "    " and resid 25   and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      4.800     2.900     1.200 peak  1321 weight  0.10000E+01 volume  0.29955E-03 ppm1      1.490 ppm2      4.934 CV     1
 ASSI { 1325}
   (( segid "    " and resid 23   and name HG2 ))
   (( segid "    " and resid 23   and name HA  ))
      3.200     1.300     1.300 peak  1325 weight  0.10000E+01 volume  0.13979E-02 ppm1      1.604 ppm2      4.452 CV     1
 OR { 1325}
   (( segid "    " and resid 23   and name HG1 ))
   (( segid "    " and resid 23   and name HA  ))
 ASSI { 1329}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 15   and name HA  ))
      2.700     0.900     0.900 peak  1329 weight  0.10000E+01 volume  0.16849E-02 ppm1      1.854 ppm2      4.931 CV     1
 ASSI { 1332}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 3    and name HA1 ))
      5.100     3.300     0.900 peak  1332 weight  0.10000E+01 volume  0.26959E-03 ppm1      1.779 ppm2      4.113 CV     1
 ASSI { 1333}
   (( segid "    " and resid 12   and name HG2 ))
   (( segid "    " and resid 12   and name HA  ))
      4.000     2.000     2.000 peak  1333 weight  0.10000E+01 volume  0.94980E-03 ppm1      2.324 ppm2      4.466 CV     1
 ASSI { 1338}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HA  ))
      3.200     1.300     1.300 peak  1338 weight  0.10000E+01 volume  0.12606E-02 ppm1      1.381 ppm2      3.977 CV     1
 ASSI { 1343}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 3    and name HA1 ))
      5.100     3.200     0.900 peak  1343 weight  0.10000E+01 volume  0.19471E-03 ppm1      3.696 ppm2      4.130 CV     1
 ASSI { 1346}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak  1346 weight  0.10000E+01 volume  0.87120E-02 ppm1      4.378 ppm2      4.129 CV     1
 ASSI { 1348}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 5    and name HA2 ))
      3.700     1.700     1.700 peak  1348 weight  0.10000E+01 volume  0.80130E-03 ppm1      1.318 ppm2      3.599 CV     1
 ASSI { 1351}
   (( segid "    " and resid 25   and name HD1 ))
   (( segid "    " and resid 5    and name HA2 ))
      5.400     3.600     0.600 peak  1351 weight  0.10000E+01 volume  0.11608E-03 ppm1      3.117 ppm2      3.614 CV     1
 ASSI { 1354}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 9    and name HD2 ))
      5.000     3.200     1.000 peak  1354 weight  0.10000E+01 volume  0.10921E-03 ppm1      2.288 ppm2      3.175 CV     1
 OR { 1354}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 9    and name HD1 ))
 ASSI { 1355}
   (( segid "    " and resid 3    and name HA1 ))
   (( segid "    " and resid 3    and name HA2 ))
      1.800     0.400     0.400 peak  1355 weight  0.10000E+01 volume  0.16849E-01 ppm1      4.126 ppm2      3.799 CV     1
 ASSI { 1356}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HD1 ))
      4.200     2.200     1.800 peak  1356 weight  0.10000E+01 volume  0.71767E-03 ppm1      4.068 ppm2      3.236 CV     1
 OR { 1356}
   (( segid "    " and resid 22   and name HA  ))
   (( segid "    " and resid 22   and name HD2 ))
 ASSI { 1358}
   (( segid "    " and resid 24   and name HA1 ))
   (( segid "    " and resid 25   and name HD1 ))
      4.300     2.300     1.700 peak  1358 weight  0.10000E+01 volume  0.28831E-03 ppm1      4.046 ppm2      3.125 CV     1
 ASSI { 1364}
   (( segid "    " and resid 2    and name HB2 ))
   (( segid "    " and resid 8    and name HB1 ))
      4.300     2.300     1.700 peak  1364 weight  0.10000E+01 volume  0.16475E-03 ppm1      1.853 ppm2      2.904 CV     1
 ASSI { 1365}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 2    and name HD2 ))
      3.400     1.400     1.400 peak  1365 weight  0.10000E+01 volume  0.82377E-03 ppm1      4.966 ppm2      1.563 CV     1
 OR { 1365}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 2    and name HD1 ))
 ASSI { 1366}
   (( segid "    " and resid 8    and name HA  ))
   (( segid "    " and resid 2    and name HG1 ))
      4.200     2.200     1.800 peak  1366 weight  0.10000E+01 volume  0.54670E-03 ppm1      4.970 ppm2      1.417 CV     1
 ASSI { 1368}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
      3.500     1.500     1.500 peak  1368 weight  0.10000E+01 volume  0.10646E-02 ppm1      4.517 ppm2      1.319 CV     1
 OR { 1368}
   (( segid "    " and resid 17   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
 ASSI { 1370}
   (( segid "    " and resid 2    and name HA  ))
   (( segid "    " and resid 2    and name HB2 ))
      2.800     1.000     1.000 peak  1370 weight  0.10000E+01 volume  0.45930E-02 ppm1      4.528 ppm2      1.852 CV     1
 ASSI { 1371}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HG2 ))
      4.900     3.000     1.100 peak  1371 weight  0.10000E+01 volume  0.23590E-03 ppm1      4.425 ppm2      1.358 CV     1
 OR { 1371}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HG1 ))
 ASSI { 1372}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HD2 ))
      3.100     1.200     1.200 peak  1372 weight  0.10000E+01 volume  0.32076E-02 ppm1      4.448 ppm2      1.600 CV     1
 OR { 1372}
   (( segid "    " and resid 16   and name HA  ))
   (( segid "    " and resid 17   and name HD1 ))
 ASSI { 1377}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 10   and name HG1 ))
      3.500     1.500     1.500 peak  1377 weight  0.10000E+01 volume  0.10035E-02 ppm1      3.969 ppm2      1.483 CV     1
 ASSI { 1378}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 19   and name HG1 ))
      5.300     3.500     0.700 peak  1378 weight  0.10000E+01 volume  0.21717E-03 ppm1      4.086 ppm2      1.565 CV     1
 ASSI { 1379}
   (( segid "    " and resid 3    and name HA2 ))
   (( segid "    " and resid 2    and name HB2 ))
      4.900     2.900     1.100 peak  1379 weight  0.10000E+01 volume  0.16849E-03 ppm1      3.805 ppm2      1.848 CV     1
 ASSI { 1380}
   (( segid "    " and resid 18   and name HA2 ))
   (( segid "    " and resid 19   and name HG1 ))
      4.400     2.400     1.600 peak  1380 weight  0.10000E+01 volume  0.29830E-03 ppm1      3.822 ppm2      1.549 CV     1
 ASSI { 1381}
   (( segid "    " and resid 18   and name HA2 ))
   (( segid "    " and resid 19   and name HG2 ))
      4.400     2.500     1.600 peak  1381 weight  0.10000E+01 volume  0.25836E-03 ppm1      3.821 ppm2      1.638 CV     1
 OR { 1381}
   (( segid "    " and resid 18   and name HA2 ))
   (( segid "    " and resid 19   and name HB1 ))
 ASSI { 1383}
   (( segid "    " and resid 4    and name HA  ))
   (( segid "    " and resid 4    and name HG1 ))
      2.800     1.000     1.000 peak  1383 weight  0.10000E+01 volume  0.28707E-02 ppm1      3.688 ppm2      1.468 CV     1
 ASSI { 1385}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 2    and name HG1 ))
      6.000     4.800     0.000 peak  1385 weight  0.10000E+01 volume  0.14977E-03 ppm1      3.283 ppm2      1.409 CV     1
 ASSI { 1386}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 19   and name HG1 ))
      4.400     2.400     1.600 peak  1386 weight  0.10000E+01 volume  0.17723E-03 ppm1      3.286 ppm2      1.558 CV     1
 ASSI { 1387}
   (( segid "    " and resid 9    and name HD2 ))
   (  segid "    " and resid 11   and name HG2%)
      5.300     3.500     0.700 peak  1387 weight  0.10000E+01 volume  0.12731E-03 ppm1      3.177 ppm2      1.172 CV     1
 ASSI { 1388}
   (( segid "    " and resid 2    and name HE1 ))
   (  segid "    " and resid 11   and name HG2%)
      5.800     4.100     0.200 peak  1388 weight  0.10000E+01 volume  0.10759E-03 ppm1      3.051 ppm2      1.176 CV     1
 OR { 1388}
   (( segid "    " and resid 2    and name HE2 ))
   (  segid "    " and resid 11   and name HG2%)
 ASSI { 1389}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 4    and name HG2 ))
      3.500     1.500     1.500 peak  1389 weight  0.10000E+01 volume  0.14478E-02 ppm1      3.161 ppm2      1.343 CV     1
 OR { 1389}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 4    and name HG2 ))
 ASSI { 1390}
   (( segid "    " and resid 25   and name HD2 ))
   (( segid "    " and resid 7    and name HB2 ))
      5.600     4.000     0.400 peak  1390 weight  0.10000E+01 volume  0.18472E-03 ppm1      3.022 ppm2      1.905 CV     1
 ASSI { 1391}
   (( segid "    " and resid 26   and name HB2 ))
   (( segid "    " and resid 2    and name HB2 ))
      3.800     1.800     1.800 peak  1391 weight  0.10000E+01 volume  0.45681E-03 ppm1      3.151 ppm2      1.871 CV     1
 OR { 1391}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 2    and name HB2 ))
 OR { 1391}
   (( segid "    " and resid 26   and name HB1 ))
   (( segid "    " and resid 2    and name HB1 ))
 ASSI { 1393}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 2    and name HD2 ))
      3.800     1.800     1.800 peak  1393 weight  0.10000E+01 volume  0.61531E-03 ppm1      2.911 ppm2      1.562 CV     1
 OR { 1393}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 2    and name HD1 ))
 ASSI { 1396}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 2    and name HB2 ))
      5.400     3.600     0.600 peak  1396 weight  0.10000E+01 volume  0.13729E-03 ppm1      2.698 ppm2      1.869 CV     1
 OR { 1396}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 2    and name HB1 ))
 ASSI { 1397}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 19   and name HB1 ))
      5.700     4.100     0.300 peak  1397 weight  0.10000E+01 volume  0.10584E-03 ppm1      2.701 ppm2      1.631 CV     1
 OR { 1397}
   (( segid "    " and resid 15   and name HB2 ))
   (( segid "    " and resid 19   and name HG2 ))
 ASSI { 1398}
   (( segid "    " and resid 14   and name HB2 ))
   (  segid "    " and resid 11   and name HG2%)
      3.800     1.800     1.800 peak  1398 weight  0.10000E+01 volume  0.15352E-03 ppm1      2.610 ppm2      1.174 CV     1
 ASSI { 1400}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 25   and name HB1 ))
      6.000     4.500     0.000 peak  1400 weight  0.10000E+01 volume  0.13979E-03 ppm1      2.377 ppm2      1.489 CV     1
 ASSI { 1401}
   (( segid "    " and resid 12   and name HG1 ))
   (  segid "    " and resid 11   and name HG2%)
      4.400     2.400     1.600 peak  1401 weight  0.10000E+01 volume  0.17598E-03 ppm1      2.273 ppm2      1.173 CV     1
 ASSI { 1402}
   (( segid "    " and resid 12   and name HG2 ))
   (  segid "    " and resid 11   and name HG2%)
      5.800     4.200     0.200 peak  1402 weight  0.10000E+01 volume  0.12980E-03 ppm1      2.329 ppm2      1.171 CV     1
 ASSI { 1403}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 9    and name HG1 ))
      3.700     1.700     1.700 peak  1403 weight  0.10000E+01 volume  0.75761E-03 ppm1      2.280 ppm2      1.685 CV     1
 OR { 1403}
   (( segid "    " and resid 12   and name HG1 ))
   (( segid "    " and resid 9    and name HG2 ))
 ASSI { 1407}
   (( segid "    " and resid 9    and name HB2 ))
   (  segid "    " and resid 11   and name HG2%)
      4.200     2.200     1.800 peak  1407 weight  0.10000E+01 volume  0.85997E-03 ppm1      1.804 ppm2      1.175 CV     1
 OR { 1407}
   (( segid "    " and resid 9    and name HB1 ))
   (  segid "    " and resid 11   and name HG2%)
 ASSI { 1409}
   (( segid "    " and resid 2    and name HD2 ))
   (( segid "    " and resid 2    and name HG1 ))
      2.100     0.500     0.500 peak  1409 weight  0.10000E+01 volume  0.12606E-01 ppm1      1.553 ppm2      1.414 CV     1
 OR { 1409}
   (( segid "    " and resid 2    and name HD1 ))
   (( segid "    " and resid 2    and name HG1 ))
 ASSI { 1414}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HG2 ))
      2.900     1.000     1.000 peak  1414 weight  0.10000E+01 volume  0.25462E-02 ppm1      2.083 ppm2      1.614 CV     1
 OR { 1414}
   (( segid "    " and resid 23   and name HB1 ))
   (( segid "    " and resid 23   and name HG1 ))
 ASSI { 1417}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 10   and name HG2 ))
      2.700     0.900     0.900 peak  1417 weight  0.10000E+01 volume  0.30704E-02 ppm1      1.673 ppm2      1.414 CV     1
 OR { 1417}
   (( segid "    " and resid 10   and name HD2 ))
   (( segid "    " and resid 10   and name HG2 ))
 ASSI { 1420}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 14   and name HB2 ))
      5.200     3.400     0.800 peak  1420 weight  0.10000E+01 volume  0.17973E-03 ppm1      4.619 ppm2      2.596 CV     1
 ASSI { 1422}
   (( segid "    " and resid 11   and name HB  ))
   (( segid "    " and resid 12   and name HG1 ))
      4.600     2.600     1.400 peak  1422 weight  0.10000E+01 volume  0.13854E-03 ppm1      4.370 ppm2      2.289 CV     1
 ASSI { 1424}
   (( segid "    " and resid 18   and name HA1 ))
   (( segid "    " and resid 15   and name HB2 ))
      5.200     3.400     0.800 peak  1424 weight  0.10000E+01 volume  0.11882E-03 ppm1      4.088 ppm2      2.705 CV     1
 ASSI { 1425}
   (( segid "    " and resid 18   and name HA2 ))
   (( segid "    " and resid 15   and name HB2 ))
      5.600     3.900     0.400 peak  1425 weight  0.10000E+01 volume  0.12731E-03 ppm1      3.825 ppm2      2.701 CV     1
 ASSI { 1427}
   (( segid "    " and resid 2    and name HE2 ))
   (( segid "    " and resid 14   and name HB2 ))
      4.600     2.600     1.400 peak  1427 weight  0.10000E+01 volume  0.18472E-03 ppm1      3.063 ppm2      2.605 CV     1
 OR { 1427}
   (( segid "    " and resid 2    and name HE1 ))
   (( segid "    " and resid 14   and name HB2 ))
 ASSI { 1428}
   (( segid "    " and resid 4    and name HG2 ))
   (( segid "    " and resid 5    and name HA1 ))
      4.300     2.400     1.700 peak  1428 weight  0.10000E+01 volume  0.27833E-03 ppm1      1.313 ppm2      4.342 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1           HT1      CYS   1   9.133  -3.670   4.499
    2   2H    CYS   1           HT2      CYS   1   9.671  -2.083   4.271
    3   3H    CYS   1           HT3      CYS   1  10.170  -3.303   3.213
    4    HA   CYS   1           HA       CYS   1   8.052  -1.611   2.866
    5   1HB   CYS   1          HB2       CYS   1   7.567  -3.349   0.983
    6   2HB   CYS   1          HB1       CYS   1   9.105  -2.493   0.984
    7    H    LYS   2           HN       LYS   2   5.800  -2.227   2.257
    8    HA   LYS   2           HA       LYS   2   4.564  -3.618   4.461
    9   1HB   LYS   2          HB2       LYS   2   3.070  -2.587   2.072
   10   2HB   LYS   2          HB1       LYS   2   2.544  -2.687   3.746
   11   1HG   LYS   2          HG2       LYS   2   4.832  -0.906   3.114
   12   2HG   LYS   2          HG1       LYS   2   3.214  -0.395   2.626
   13   1HD   LYS   2          HD2       LYS   2   2.433  -0.371   4.835
   14   2HD   LYS   2          HD1       LYS   2   3.782  -1.350   5.414
   15   1HE   LYS   2          HE2       LYS   2   4.292   1.340   4.209
   16   2HE   LYS   2          HE1       LYS   2   3.742   1.214   5.879
   17   1HZ   LYS   2          HZ1       LYS   2   6.102  -0.250   4.846
   18   2HZ   LYS   2          HZ2       LYS   2   5.645  -0.031   6.459
   19   3HZ   LYS   2          HZ3       LYS   2   6.208   1.283   5.555
   20    H    GLY   3           HN       GLY   3   2.297  -4.694   3.268
   21   1HA   GLY   3          HA2       GLY   3   3.361  -6.797   1.498
   22   2HA   GLY   3          HA1       GLY   3   2.466  -7.229   2.945
   23    H    LYS   4           HN       LYS   4   1.873  -7.810   0.142
   24    HA   LYS   4           HA       LYS   4  -0.229  -6.179  -0.798
   25   1HB   LYS   4          HB2       LYS   4   1.139  -7.984  -2.046
   26   2HB   LYS   4          HB1       LYS   4  -0.026  -9.121  -1.382
   27   1HG   LYS   4          HG2       LYS   4  -1.841  -7.857  -2.461
   28   2HG   LYS   4          HG1       LYS   4  -0.639  -6.778  -3.171
   29   1HD   LYS   4          HD2       LYS   4  -0.905  -8.245  -4.902
   30   2HD   LYS   4          HD1       LYS   4   0.387  -9.063  -4.020
   31   1HE   LYS   4          HE2       LYS   4  -1.723 -10.137  -2.779
   32   2HE   LYS   4          HE1       LYS   4  -2.464  -9.798  -4.342
   33   1HZ   LYS   4          HZ1       LYS   4  -0.807 -11.109  -5.429
   34   2HZ   LYS   4          HZ2       LYS   4  -1.466 -12.036  -4.177
   35   3HZ   LYS   4          HZ3       LYS   4   0.058 -11.325  -3.990
   36    H    GLY   5           HN       GLY   5  -2.279  -6.001  -0.171
   37   1HA   GLY   5          HA2       GLY   5  -4.380  -6.800   0.541
   38   2HA   GLY   5          HA1       GLY   5  -3.595  -8.248   1.157
   39    H    ALA   6           HN       ALA   6  -1.587  -6.101   2.299
   40    HA   ALA   6           HA       ALA   6  -3.010  -5.867   4.843
   41   1HB   ALA   6          HB1       ALA   6  -0.163  -5.993   4.037
   42   2HB   ALA   6          HB2       ALA   6  -0.992  -6.748   5.399
   43   3HB   ALA   6          HB3       ALA   6  -0.553  -5.041   5.470
   44    HA   PRO   7           HA       PRO   7  -3.896  -1.562   4.328
   45   1HB   PRO   7          HB2       PRO   7  -3.306  -1.344   7.230
   46   2HB   PRO   7          HB1       PRO   7  -4.764  -0.893   6.339
   47   1HG   PRO   7          HG2       PRO   7  -4.720  -3.069   7.882
   48   2HG   PRO   7          HG1       PRO   7  -5.594  -3.055   6.339
   49   1HD   PRO   7          HD2       PRO   7  -2.951  -4.279   7.012
   50   2HD   PRO   7          HD1       PRO   7  -4.241  -4.888   5.954
   51    H    CYS   8           HN       CYS   8  -2.188  -0.734   3.179
   52    HA   CYS   8           HA       CYS   8   0.382  -0.289   4.419
   53   1HB   CYS   8          HB2       CYS   8   0.852   0.889   2.198
   54   2HB   CYS   8          HB1       CYS   8   0.513  -0.836   2.127
   55    H    ARG   9           HN       ARG   9   1.333   2.041   3.790
   56    HA   ARG   9           HA       ARG   9  -0.342   3.894   5.291
   57   1HB   ARG   9          HB2       ARG   9   1.729   5.317   5.301
   58   2HB   ARG   9          HB1       ARG   9   1.901   3.757   6.092
   59   1HG   ARG   9          HG2       ARG   9   2.907   2.912   3.939
   60   2HG   ARG   9          HG1       ARG   9   2.955   4.595   3.408
   61   1HD   ARG   9          HD2       ARG   9   4.084   4.792   5.865
   62   2HD   ARG   9          HD1       ARG   9   4.613   3.181   5.384
   63    HE   ARG   9           HE       ARG   9   5.213   4.638   3.214
   64   1HH1  ARG   9          HH11      ARG   9   5.846   5.143   6.606
   65   2HH1  ARG   9          HH12      ARG   9   7.313   6.022   6.331
   66   1HH2  ARG   9          HH21      ARG   9   7.144   5.788   2.847
   67   2HH2  ARG   9          HH22      ARG   9   8.052   6.387   4.195
   68    H    LYS  10           HN       LYS  10  -1.346   5.583   4.436
   69    HA   LYS  10           HA       LYS  10  -1.539   5.874   1.616
   70   1HB   LYS  10          HB2       LYS  10  -2.611   7.430   3.954
   71   2HB   LYS  10          HB1       LYS  10  -2.836   8.003   2.307
   72   1HG   LYS  10          HG2       LYS  10  -4.352   6.403   1.810
   73   2HG   LYS  10          HG1       LYS  10  -3.579   5.194   2.837
   74   1HD   LYS  10          HD2       LYS  10  -5.231   5.551   4.294
   75   2HD   LYS  10          HD1       LYS  10  -4.478   7.114   4.621
   76   1HE   LYS  10          HE2       LYS  10  -6.613   6.562   2.563
   77   2HE   LYS  10          HE1       LYS  10  -6.850   7.370   4.112
   78   1HZ   LYS  10          HZ1       LYS  10  -6.673   9.038   2.463
   79   2HZ   LYS  10          HZ2       LYS  10  -5.285   8.344   1.790
   80   3HZ   LYS  10          HZ3       LYS  10  -5.214   9.063   3.320
   81    H    THR  11           HN       THR  11   1.091   6.447   3.125
   82    HA   THR  11           HA       THR  11   1.644   9.210   2.553
   83    HB   THR  11           HB       THR  11   3.563   6.977   3.248
   84    HG1  THR  11           HG1      THR  11   2.453   7.149   5.072
   85   1HG2  THR  11          HG21      THR  11   3.860   9.906   2.861
   86   2HG2  THR  11          HG22      THR  11   4.999   8.599   2.535
   87   3HG2  THR  11          HG23      THR  11   4.754   9.163   4.188
   88    H    MET  12           HN       MET  12   2.796   6.096   1.254
   89    HA   MET  12           HA       MET  12   2.900   7.154  -1.417
   90   1HB   MET  12          HB2       MET  12   5.319   6.734  -1.732
   91   2HB   MET  12          HB1       MET  12   5.001   8.037  -0.595
   92   1HG   MET  12          HG2       MET  12   5.136   5.830   1.031
   93   2HG   MET  12          HG1       MET  12   6.355   5.494  -0.199
   94   1HE   MET  12          HE1       MET  12   8.417   6.385  -0.444
   95   2HE   MET  12          HE2       MET  12   8.777   5.903   1.214
   96   3HE   MET  12          HE3       MET  12   9.257   7.498   0.636
   97    H    TYR  13           HN       TYR  13   4.815   5.225  -2.366
   98    HA   TYR  13           HA       TYR  13   3.142   2.833  -2.190
   99   1HB   TYR  13          HB2       TYR  13   5.261   2.460  -4.050
  100   2HB   TYR  13          HB1       TYR  13   3.545   2.662  -4.382
  101    HD1  TYR  13           HD1      TYR  13   6.781   4.400  -4.126
  102    HD2  TYR  13           HD2      TYR  13   2.678   4.747  -5.195
  103    HE1  TYR  13           HE1      TYR  13   7.257   6.544  -5.233
  104    HE2  TYR  13           HE2      TYR  13   3.143   6.891  -6.306
  105    HH   TYR  13           HH       TYR  13   5.811   8.681  -5.811
  106    H    ASP  14           HN       ASP  14   4.014   2.510   0.028
  107    HA   ASP  14           HA       ASP  14   6.763   1.627   0.228
  108   1HB   ASP  14          HB2       ASP  14   4.709   2.483   2.052
  109   2HB   ASP  14          HB1       ASP  14   5.359   0.932   2.576
  110    H    CYS  15           HN       CYS  15   3.784   0.229  -0.580
  111    HA   CYS  15           HA       CYS  15   3.964  -2.329   0.511
  112   1HB   CYS  15          HB2       CYS  15   1.974  -1.437  -0.694
  113   2HB   CYS  15          HB1       CYS  15   2.853  -1.610  -2.209
  114    H    CYS  16           HN       CYS  16   5.093  -4.125   0.036
  115    HA   CYS  16           HA       CYS  16   7.354  -3.883  -1.731
  116   1HB   CYS  16          HB2       CYS  16   6.794  -5.353   0.565
  117   2HB   CYS  16          HB1       CYS  16   6.854  -6.563  -0.712
  118    H    LYS  17           HN       LYS  17   4.200  -4.544  -2.281
  119    HA   LYS  17           HA       LYS  17   4.841  -6.156  -4.656
  120   1HB   LYS  17          HB2       LYS  17   2.202  -6.505  -3.294
  121   2HB   LYS  17          HB1       LYS  17   3.076  -7.622  -4.333
  122   1HG   LYS  17          HG2       LYS  17   4.012  -6.893  -1.572
  123   2HG   LYS  17          HG1       LYS  17   2.926  -8.246  -1.898
  124   1HD   LYS  17          HD2       LYS  17   4.979  -8.589  -3.722
  125   2HD   LYS  17          HD1       LYS  17   5.802  -8.036  -2.262
  126   1HE   LYS  17          HE2       LYS  17   5.303  -9.915  -1.108
  127   2HE   LYS  17          HE1       LYS  17   3.724 -10.091  -1.871
  128   1HZ   LYS  17          HZ1       LYS  17   4.792 -10.961  -3.839
  129   2HZ   LYS  17          HZ2       LYS  17   5.252 -11.873  -2.491
  130   3HZ   LYS  17          HZ3       LYS  17   6.323 -10.744  -3.152
  131    H    GLY  18           HN       GLY  18   4.577  -3.301  -4.435
  132   1HA   GLY  18          HA2       GLY  18   3.541  -2.292  -6.544
  133   2HA   GLY  18          HA1       GLY  18   2.025  -2.830  -5.838
  134    H    ARG  19           HN       ARG  19   1.145  -0.786  -5.672
  135    HA   ARG  19           HA       ARG  19   2.475   1.024  -3.763
  136   1HB   ARG  19          HB2       ARG  19   0.383   1.997  -5.666
  137   2HB   ARG  19          HB1       ARG  19   1.718   2.875  -4.932
  138   1HG   ARG  19          HG2       ARG  19   2.804   2.656  -6.849
  139   2HG   ARG  19          HG1       ARG  19   2.930   0.929  -6.509
  140   1HD   ARG  19          HD2       ARG  19   1.308   0.382  -7.987
  141   2HD   ARG  19          HD1       ARG  19   0.369   1.837  -7.656
  142    HE   ARG  19           HE       ARG  19   1.486   2.919  -9.353
  143   1HH1  ARG  19          HH11      ARG  19   3.055  -0.111  -8.653
  144   2HH1  ARG  19          HH12      ARG  19   4.073  -0.056 -10.053
  145   1HH2  ARG  19          HH21      ARG  19   2.821   3.001 -11.200
  146   2HH2  ARG  19          HH22      ARG  19   3.941   1.714 -11.501
  147    H    CYS  20           HN       CYS  20   0.887   2.470  -2.586
  148    HA   CYS  20           HA       CYS  20  -0.973   0.835  -1.187
  149   1HB   CYS  20          HB2       CYS  20   0.393   3.033  -0.500
  150   2HB   CYS  20          HB1       CYS  20  -1.130   3.795  -0.942
  151    H    GLY  21           HN       GLY  21  -3.189   0.789  -1.236
  152   1HA   GLY  21          HA2       GLY  21  -4.406   1.881  -3.661
  153   2HA   GLY  21          HA1       GLY  21  -5.095   0.644  -2.622
  154    H    ARG  22           HN       ARG  22  -6.598   2.772  -3.559
  155    HA   ARG  22           HA       ARG  22  -6.729   4.927  -1.717
  156   1HB   ARG  22          HB2       ARG  22  -8.946   5.371  -2.774
  157   2HB   ARG  22          HB1       ARG  22  -7.624   5.224  -3.923
  158   1HG   ARG  22          HG2       ARG  22  -8.606   2.649  -3.721
  159   2HG   ARG  22          HG1       ARG  22 -10.049   3.662  -3.672
  160   1HD   ARG  22          HD2       ARG  22  -8.635   4.838  -5.675
  161   2HD   ARG  22          HD1       ARG  22  -8.168   3.149  -5.869
  162    HE   ARG  22           HE       ARG  22 -10.884   3.079  -5.627
  163   1HH1  ARG  22          HH11      ARG  22  -8.647   4.735  -7.724
  164   2HH1  ARG  22          HH12      ARG  22  -9.738   4.776  -9.068
  165   1HH2  ARG  22          HH21      ARG  22 -12.326   3.127  -7.392
  166   2HH2  ARG  22          HH22      ARG  22 -11.830   3.861  -8.880
  167    H    ARG  23           HN       ARG  23  -7.753   1.691  -1.547
  168    HA   ARG  23           HA       ARG  23  -9.902   2.168   0.335
  169   1HB   ARG  23          HB2       ARG  23  -8.702  -0.230  -0.974
  170   2HB   ARG  23          HB1       ARG  23  -9.594  -0.459   0.524
  171   1HG   ARG  23          HG2       ARG  23 -11.503   0.777  -0.561
  172   2HG   ARG  23          HG1       ARG  23 -10.605   0.655  -2.076
  173   1HD   ARG  23          HD2       ARG  23 -10.598  -1.778  -1.882
  174   2HD   ARG  23          HD1       ARG  23 -11.468  -1.666  -0.353
  175    HE   ARG  23           HE       ARG  23 -12.948  -0.329  -2.316
  176   1HH1  ARG  23          HH11      ARG  23 -11.948  -3.564  -1.492
  177   2HH1  ARG  23          HH12      ARG  23 -13.329  -4.313  -2.219
  178   1HH2  ARG  23          HH21      ARG  23 -14.768  -1.307  -3.275
  179   2HH2  ARG  23          HH22      ARG  23 -14.932  -3.031  -3.233
  180    H    GLY  24           HN       GLY  24  -6.698   2.450   0.609
  181   1HA   GLY  24          HA2       GLY  24  -5.561   2.836   2.633
  182   2HA   GLY  24          HA1       GLY  24  -6.778   1.886   3.473
  183    H    ARG  25           HN       ARG  25  -6.364  -0.154   1.186
  184    HA   ARG  25           HA       ARG  25  -4.051  -1.463   2.445
  185   1HB   ARG  25          HB2       ARG  25  -6.227  -2.778   0.818
  186   2HB   ARG  25          HB1       ARG  25  -5.016  -3.569   1.817
  187   1HG   ARG  25          HG2       ARG  25  -6.473  -1.736   3.435
  188   2HG   ARG  25          HG1       ARG  25  -7.614  -2.738   2.535
  189   1HD   ARG  25          HD2       ARG  25  -5.855  -4.617   3.315
  190   2HD   ARG  25          HD1       ARG  25  -5.686  -3.474   4.647
  191    HE   ARG  25           HE       ARG  25  -7.944  -5.157   4.080
  192   1HH1  ARG  25          HH11      ARG  25  -6.888  -2.217   5.625
  193   2HH1  ARG  25          HH12      ARG  25  -8.213  -2.176   6.739
  194   1HH2  ARG  25          HH21      ARG  25  -9.693  -5.108   5.541
  195   2HH2  ARG  25          HH22      ARG  25  -9.806  -3.819   6.692
  196    H    CYS  26           HN       CYS  26  -2.518  -2.547   1.151
  197    HA   CYS  26           HA       CYS  26  -1.764  -1.204  -1.197
  198   1HB   CYS  26          HB2       CYS  26  -0.017  -2.236  -0.018
  199   2HB   CYS  26          HB1       CYS  26  -0.874  -3.770   0.091
  200   1HN   NH2  27          H1        CYS  26  -1.680  -1.933  -3.362
  201   2HN   NH2  27          H2        CYS  26  -2.813  -3.084  -3.972
  Start of MODEL    2
    1   1H    CYS   1           HT1      CYS   1   9.204  -3.285   4.214
    2   2H    CYS   1           HT2      CYS   1   9.483  -1.645   3.910
    3   3H    CYS   1           HT3      CYS   1  10.111  -2.817   2.864
    4    HA   CYS   1           HA       CYS   1   7.811  -1.471   2.478
    5   1HB   CYS   1          HB2       CYS   1   7.554  -2.908   0.610
    6   2HB   CYS   1          HB1       CYS   1   9.283  -2.879   0.934
    7    H    LYS   2           HN       LYS   2   5.611  -2.467   2.020
    8    HA   LYS   2           HA       LYS   2   4.681  -3.757   4.467
    9   1HB   LYS   2          HB2       LYS   2   2.928  -2.748   2.240
   10   2HB   LYS   2          HB1       LYS   2   2.527  -2.959   3.939
   11   1HG   LYS   2          HG2       LYS   2   4.703  -1.061   3.402
   12   2HG   LYS   2          HG1       LYS   2   3.117  -0.589   2.786
   13   1HD   LYS   2          HD2       LYS   2   2.148  -0.687   4.944
   14   2HD   LYS   2          HD1       LYS   2   3.548  -1.525   5.614
   15   1HE   LYS   2          HE2       LYS   2   4.477   0.894   4.482
   16   2HE   LYS   2          HE1       LYS   2   3.047   1.281   5.438
   17   1HZ   LYS   2          HZ1       LYS   2   5.272   1.295   6.623
   18   2HZ   LYS   2          HZ2       LYS   2   5.234  -0.393   6.519
   19   3HZ   LYS   2          HZ3       LYS   2   4.023   0.429   7.367
   20    H    GLY   3           HN       GLY   3   2.303  -4.873   3.402
   21   1HA   GLY   3          HA2       GLY   3   3.275  -6.948   1.559
   22   2HA   GLY   3          HA1       GLY   3   2.589  -7.433   3.102
   23    H    LYS   4           HN       LYS   4   1.633  -8.141   0.479
   24    HA   LYS   4           HA       LYS   4  -0.592  -6.598  -0.292
   25   1HB   LYS   4          HB2       LYS   4   0.598  -8.481  -1.581
   26   2HB   LYS   4          HB1       LYS   4  -0.420  -9.580  -0.660
   27   1HG   LYS   4          HG2       LYS   4  -2.412  -8.527  -1.563
   28   2HG   LYS   4          HG1       LYS   4  -1.416  -7.371  -2.446
   29   1HD   LYS   4          HD2       LYS   4  -0.365  -9.767  -3.245
   30   2HD   LYS   4          HD1       LYS   4  -2.080 -10.150  -3.075
   31   1HE   LYS   4          HE2       LYS   4  -2.247  -9.333  -5.157
   32   2HE   LYS   4          HE1       LYS   4  -2.190  -7.760  -4.362
   33   1HZ   LYS   4          HZ1       LYS   4  -0.363  -8.861  -6.188
   34   2HZ   LYS   4          HZ2       LYS   4   0.435  -8.623  -4.717
   35   3HZ   LYS   4          HZ3       LYS   4  -0.345  -7.327  -5.475
   36    H    GLY   5           HN       GLY   5  -2.711  -6.621   0.297
   37   1HA   GLY   5          HA2       GLY   5  -4.634  -7.275   1.426
   38   2HA   GLY   5          HA1       GLY   5  -3.756  -8.658   2.064
   39    H    ALA   6           HN       ALA   6  -1.741  -6.239   2.707
   40    HA   ALA   6           HA       ALA   6  -2.840  -5.858   5.401
   41   1HB   ALA   6          HB1       ALA   6  -0.615  -5.424   6.140
   42   2HB   ALA   6          HB2       ALA   6  -0.025  -5.307   4.483
   43   3HB   ALA   6          HB3       ALA   6  -0.560  -6.861   5.119
   44    HA   PRO   7           HA       PRO   7  -3.987  -1.685   4.319
   45   1HB   PRO   7          HB2       PRO   7  -3.700  -1.257   7.245
   46   2HB   PRO   7          HB1       PRO   7  -5.073  -0.920   6.187
   47   1HG   PRO   7          HG2       PRO   7  -5.113  -2.993   7.864
   48   2HG   PRO   7          HG1       PRO   7  -5.826  -3.110   6.243
   49   1HD   PRO   7          HD2       PRO   7  -3.231  -4.190   7.258
   50   2HD   PRO   7          HD1       PRO   7  -4.380  -4.905   6.108
   51    H    CYS   8           HN       CYS   8  -2.187  -0.888   3.279
   52    HA   CYS   8           HA       CYS   8   0.214  -0.219   4.722
   53   1HB   CYS   8          HB2       CYS   8   0.801   0.877   2.464
   54   2HB   CYS   8          HB1       CYS   8   0.630  -0.874   2.509
   55    H    ARG   9           HN       ARG   9   1.149   2.054   4.351
   56    HA   ARG   9           HA       ARG   9  -0.797   3.911   5.430
   57   1HB   ARG   9          HB2       ARG   9   1.148   5.382   5.798
   58   2HB   ARG   9          HB1       ARG   9   1.380   3.787   6.501
   59   1HG   ARG   9          HG2       ARG   9   2.821   3.142   4.684
   60   2HG   ARG   9          HG1       ARG   9   2.503   4.664   3.849
   61   1HD   ARG   9          HD2       ARG   9   3.599   5.909   5.586
   62   2HD   ARG   9          HD1       ARG   9   3.773   4.460   6.575
   63    HE   ARG   9           HE       ARG   9   5.099   3.792   4.332
   64   1HH1  ARG   9          HH11      ARG   9   5.242   6.596   6.395
   65   2HH1  ARG   9          HH12      ARG   9   6.917   6.901   6.080
   66   1HH2  ARG   9          HH21      ARG   9   7.305   4.189   3.911
   67   2HH2  ARG   9          HH22      ARG   9   8.088   5.536   4.668
   68    H    LYS  10           HN       LYS  10  -1.650   5.611   4.407
   69    HA   LYS  10           HA       LYS  10  -1.448   5.776   1.564
   70   1HB   LYS  10          HB2       LYS  10  -2.860   7.477   3.616
   71   2HB   LYS  10          HB1       LYS  10  -2.930   7.814   1.892
   72   1HG   LYS  10          HG2       LYS  10  -3.615   5.175   1.975
   73   2HG   LYS  10          HG1       LYS  10  -4.320   5.789   3.472
   74   1HD   LYS  10          HD2       LYS  10  -4.746   7.522   1.149
   75   2HD   LYS  10          HD1       LYS  10  -5.492   5.928   1.007
   76   1HE   LYS  10          HE2       LYS  10  -5.864   7.866   3.288
   77   2HE   LYS  10          HE1       LYS  10  -7.030   7.538   2.007
   78   1HZ   LYS  10          HZ1       LYS  10  -7.593   5.547   2.899
   79   2HZ   LYS  10          HZ2       LYS  10  -7.130   6.323   4.329
   80   3HZ   LYS  10          HZ3       LYS  10  -6.062   5.262   3.561
   81    H    THR  11           HN       THR  11   0.968   6.365   3.254
   82    HA   THR  11           HA       THR  11   1.539   9.155   2.848
   83    HB   THR  11           HB       THR  11   3.376   6.889   3.652
   84    HG1  THR  11           HG1      THR  11   1.569   8.487   5.041
   85   1HG2  THR  11          HG21      THR  11   4.132   9.350   2.754
   86   2HG2  THR  11          HG22      THR  11   5.060   8.363   3.883
   87   3HG2  THR  11          HG23      THR  11   3.997   9.634   4.490
   88    H    MET  12           HN       MET  12   2.948   6.126   1.602
   89    HA   MET  12           HA       MET  12   3.361   7.379  -0.995
   90   1HB   MET  12          HB2       MET  12   5.730   6.778  -1.068
   91   2HB   MET  12          HB1       MET  12   5.412   7.892   0.256
   92   1HG   MET  12          HG2       MET  12   5.174   5.672   1.641
   93   2HG   MET  12          HG1       MET  12   6.155   5.015   0.331
   94   1HE   MET  12          HE1       MET  12   8.466   5.260  -0.010
   95   2HE   MET  12          HE2       MET  12   9.582   6.377   0.773
   96   3HE   MET  12          HE3       MET  12   8.456   6.969  -0.447
   97    H    TYR  13           HN       TYR  13   5.184   5.303  -1.862
   98    HA   TYR  13           HA       TYR  13   3.256   3.107  -2.092
   99   1HB   TYR  13          HB2       TYR  13   5.668   2.970  -3.762
  100   2HB   TYR  13          HB1       TYR  13   3.976   2.791  -4.210
  101    HD1  TYR  13           HD1      TYR  13   2.594   5.033  -4.259
  102    HD2  TYR  13           HD2      TYR  13   6.835   4.819  -4.513
  103    HE1  TYR  13           HE1      TYR  13   2.637   7.254  -5.315
  104    HE2  TYR  13           HE2      TYR  13   6.890   7.039  -5.566
  105    HH   TYR  13           HH       TYR  13   3.899   8.857  -6.182
  106    H    ASP  14           HN       ASP  14   4.014   2.657   0.216
  107    HA   ASP  14           HA       ASP  14   6.609   1.449   0.503
  108   1HB   ASP  14          HB2       ASP  14   4.581   2.420   2.247
  109   2HB   ASP  14          HB1       ASP  14   4.871   0.731   2.653
  110    H    CYS  15           HN       CYS  15   3.451   0.411  -0.378
  111    HA   CYS  15           HA       CYS  15   3.466  -2.265   0.378
  112   1HB   CYS  15          HB2       CYS  15   1.431  -1.633  -0.491
  113   2HB   CYS  15          HB1       CYS  15   2.155  -0.702  -1.796
  114    H    CYS  16           HN       CYS  16   4.755  -3.894  -0.132
  115    HA   CYS  16           HA       CYS  16   6.936  -3.662  -1.865
  116   1HB   CYS  16          HB2       CYS  16   5.937  -5.576  -0.028
  117   2HB   CYS  16          HB1       CYS  16   6.256  -6.421  -1.538
  118    H    LYS  17           HN       LYS  17   3.699  -4.920  -2.414
  119    HA   LYS  17           HA       LYS  17   4.469  -5.632  -5.159
  120   1HB   LYS  17          HB2       LYS  17   2.307  -6.563  -3.320
  121   2HB   LYS  17          HB1       LYS  17   2.045  -6.659  -5.057
  122   1HG   LYS  17          HG2       LYS  17   2.892  -8.753  -4.428
  123   2HG   LYS  17          HG1       LYS  17   4.242  -7.904  -5.183
  124   1HD   LYS  17          HD2       LYS  17   5.096  -8.948  -3.227
  125   2HD   LYS  17          HD1       LYS  17   4.968  -7.224  -2.870
  126   1HE   LYS  17          HE2       LYS  17   4.164  -8.794  -1.061
  127   2HE   LYS  17          HE1       LYS  17   3.030  -7.539  -1.559
  128   1HZ   LYS  17          HZ1       LYS  17   2.032  -9.781  -1.304
  129   2HZ   LYS  17          HZ2       LYS  17   2.976 -10.316  -2.602
  130   3HZ   LYS  17          HZ3       LYS  17   1.814  -9.110  -2.844
  131    H    GLY  18           HN       GLY  18   4.493  -3.194  -5.427
  132   1HA   GLY  18          HA2       GLY  18   3.348  -1.796  -7.027
  133   2HA   GLY  18          HA1       GLY  18   1.824  -2.364  -6.363
  134    H    ARG  19           HN       ARG  19   0.904  -0.482  -5.741
  135    HA   ARG  19           HA       ARG  19   2.316   1.034  -3.652
  136   1HB   ARG  19          HB2       ARG  19   0.424   2.605  -5.253
  137   2HB   ARG  19          HB1       ARG  19   2.031   3.023  -4.679
  138   1HG   ARG  19          HG2       ARG  19   2.815   2.767  -6.729
  139   2HG   ARG  19          HG1       ARG  19   2.342   1.067  -6.695
  140   1HD   ARG  19          HD2       ARG  19   1.153   1.777  -8.514
  141   2HD   ARG  19          HD1       ARG  19  -0.032   2.059  -7.240
  142    HE   ARG  19           HE       ARG  19   1.532   4.371  -7.592
  143   1HH1  ARG  19          HH11      ARG  19  -0.943   2.517  -9.199
  144   2HH1  ARG  19          HH12      ARG  19  -1.591   3.880 -10.050
  145   1HH2  ARG  19          HH21      ARG  19   0.683   6.171  -8.707
  146   2HH2  ARG  19          HH22      ARG  19  -0.667   5.955  -9.770
  147    H    CYS  20           HN       CYS  20   0.863   2.247  -2.216
  148    HA   CYS  20           HA       CYS  20  -1.150   0.658  -1.139
  149   1HB   CYS  20          HB2       CYS  20   0.168   2.839  -0.275
  150   2HB   CYS  20          HB1       CYS  20  -1.366   3.586  -0.707
  151    H    GLY  21           HN       GLY  21  -3.212   0.311  -1.655
  152   1HA   GLY  21          HA2       GLY  21  -4.364   1.393  -3.997
  153   2HA   GLY  21          HA1       GLY  21  -5.204   0.432  -2.790
  154    H    ARG  22           HN       ARG  22  -6.716   2.262  -3.882
  155    HA   ARG  22           HA       ARG  22  -6.594   4.863  -2.794
  156   1HB   ARG  22          HB2       ARG  22  -8.939   3.293  -3.877
  157   2HB   ARG  22          HB1       ARG  22  -8.990   5.006  -3.486
  158   1HG   ARG  22          HG2       ARG  22  -7.229   5.419  -5.155
  159   2HG   ARG  22          HG1       ARG  22  -7.254   3.704  -5.573
  160   1HD   ARG  22          HD2       ARG  22  -9.875   4.290  -5.800
  161   2HD   ARG  22          HD1       ARG  22  -9.170   5.848  -6.231
  162    HE   ARG  22           HE       ARG  22  -7.774   4.346  -7.833
  163   1HH1  ARG  22          HH11      ARG  22 -11.140   3.978  -7.010
  164   2HH1  ARG  22          HH12      ARG  22 -11.562   3.241  -8.518
  165   1HH2  ARG  22          HH21      ARG  22  -8.320   3.372  -9.821
  166   2HH2  ARG  22          HH22      ARG  22  -9.959   2.894 -10.117
  167    H    ARG  23           HN       ARG  23  -7.649   1.852  -1.509
  168    HA   ARG  23           HA       ARG  23  -9.094   3.155   0.681
  169   1HB   ARG  23          HB2       ARG  23  -9.204   0.538  -0.611
  170   2HB   ARG  23          HB1       ARG  23  -9.190   0.430   1.144
  171   1HG   ARG  23          HG2       ARG  23 -11.200   1.539   1.362
  172   2HG   ARG  23          HG1       ARG  23 -11.058   2.318  -0.214
  173   1HD   ARG  23          HD2       ARG  23 -11.984   0.580  -1.295
  174   2HD   ARG  23          HD1       ARG  23 -11.134  -0.610  -0.310
  175    HE   ARG  23           HE       ARG  23 -12.867  -0.415   1.329
  176   1HH1  ARG  23          HH11      ARG  23 -13.504   1.214  -1.685
  177   2HH1  ARG  23          HH12      ARG  23 -15.217   1.275  -1.440
  178   1HH2  ARG  23          HH21      ARG  23 -15.125  -0.344   1.658
  179   2HH2  ARG  23          HH22      ARG  23 -16.138   0.390   0.461
  180    H    GLY  24           HN       GLY  24  -6.002   2.319  -0.021
  181   1HA   GLY  24          HA2       GLY  24  -4.165   2.461   1.414
  182   2HA   GLY  24          HA1       GLY  24  -5.256   2.335   2.785
  183    H    ARG  25           HN       ARG  25  -4.979   0.151   0.015
  184    HA   ARG  25           HA       ARG  25  -3.930  -1.922   1.819
  185   1HB   ARG  25          HB2       ARG  25  -6.095  -2.353  -0.248
  186   2HB   ARG  25          HB1       ARG  25  -5.416  -3.573   0.820
  187   1HG   ARG  25          HG2       ARG  25  -6.665  -1.151   2.018
  188   2HG   ARG  25          HG1       ARG  25  -7.702  -2.421   1.363
  189   1HD   ARG  25          HD2       ARG  25  -6.062  -3.954   2.781
  190   2HD   ARG  25          HD1       ARG  25  -5.884  -2.465   3.709
  191    HE   ARG  25           HE       ARG  25  -8.265  -4.114   3.483
  192   1HH1  ARG  25          HH11      ARG  25  -6.852  -1.110   4.542
  193   2HH1  ARG  25          HH12      ARG  25  -8.127  -0.756   5.660
  194   1HH2  ARG  25          HH21      ARG  25  -9.947  -3.655   4.955
  195   2HH2  ARG  25          HH22      ARG  25  -9.884  -2.203   5.895
  196    H    CYS  26           HN       CYS  26  -2.135  -2.820   1.072
  197    HA   CYS  26           HA       CYS  26  -0.970  -2.137  -1.389
  198   1HB   CYS  26          HB2       CYS  26   0.486  -2.797   0.359
  199   2HB   CYS  26          HB1       CYS  26  -0.383  -4.305   0.622
  200   1HN   NH2  27          H1        CYS  26  -0.720  -3.276  -3.305
  201   2HN   NH2  27          H2        CYS  26  -1.715  -4.619  -3.739
  Start of MODEL    3
    1   1H    CYS   1           HT1      CYS   1   9.112  -2.071   4.932
    2   2H    CYS   1           HT2      CYS   1  10.039  -2.953   3.826
    3   3H    CYS   1           HT3      CYS   1   8.893  -3.743   4.786
    4    HA   CYS   1           HA       CYS   1   7.922  -1.576   3.103
    5   1HB   CYS   1          HB2       CYS   1   7.811  -3.098   1.143
    6   2HB   CYS   1          HB1       CYS   1   9.464  -2.699   1.596
    7    H    LYS   2           HN       LYS   2   5.757  -2.069   2.361
    8    HA   LYS   2           HA       LYS   2   4.287  -3.586   4.333
    9   1HB   LYS   2          HB2       LYS   2   3.095  -2.216   1.934
   10   2HB   LYS   2          HB1       LYS   2   2.350  -2.534   3.493
   11   1HG   LYS   2          HG2       LYS   2   4.738  -0.772   3.413
   12   2HG   LYS   2          HG1       LYS   2   3.199  -0.134   2.828
   13   1HD   LYS   2          HD2       LYS   2   2.160  -0.766   4.978
   14   2HD   LYS   2          HD1       LYS   2   3.735  -1.316   5.552
   15   1HE   LYS   2          HE2       LYS   2   4.405   1.155   4.783
   16   2HE   LYS   2          HE1       LYS   2   2.705   1.434   5.156
   17   1HZ   LYS   2          HZ1       LYS   2   3.065   1.205   7.339
   18   2HZ   LYS   2          HZ2       LYS   2   4.685   1.509   6.959
   19   3HZ   LYS   2          HZ3       LYS   2   4.146  -0.083   7.150
   20    H    GLY   3           HN       GLY   3   2.096  -4.454   2.859
   21   1HA   GLY   3          HA2       GLY   3   3.166  -6.327   0.873
   22   2HA   GLY   3          HA1       GLY   3   2.370  -6.994   2.292
   23    H    LYS   4           HN       LYS   4   1.434  -7.578  -0.217
   24    HA   LYS   4           HA       LYS   4  -0.650  -5.818  -1.045
   25   1HB   LYS   4          HB2       LYS   4   0.617  -7.794  -2.298
   26   2HB   LYS   4          HB1       LYS   4  -0.755  -8.720  -1.708
   27   1HG   LYS   4          HG2       LYS   4  -2.150  -6.776  -2.744
   28   2HG   LYS   4          HG1       LYS   4  -0.682  -6.491  -3.683
   29   1HD   LYS   4          HD2       LYS   4  -0.976  -9.197  -3.900
   30   2HD   LYS   4          HD1       LYS   4  -2.654  -8.651  -3.871
   31   1HE   LYS   4          HE2       LYS   4  -1.984  -6.967  -5.645
   32   2HE   LYS   4          HE1       LYS   4  -0.474  -7.868  -5.789
   33   1HZ   LYS   4          HZ1       LYS   4  -3.190  -8.655  -6.555
   34   2HZ   LYS   4          HZ2       LYS   4  -2.122  -9.866  -6.051
   35   3HZ   LYS   4          HZ3       LYS   4  -1.729  -8.888  -7.375
   36    H    GLY   5           HN       GLY   5  -2.770  -5.770  -0.518
   37   1HA   GLY   5          HA2       GLY   5  -4.762  -6.343   0.498
   38   2HA   GLY   5          HA1       GLY   5  -4.085  -7.930   0.834
   39    H    ALA   6           HN       ALA   6  -1.935  -5.684   1.948
   40    HA   ALA   6           HA       ALA   6  -2.979  -5.943   4.682
   41   1HB   ALA   6          HB1       ALA   6  -0.635  -5.453   5.374
   42   2HB   ALA   6          HB2       ALA   6  -0.180  -5.471   3.670
   43   3HB   ALA   6          HB3       ALA   6  -0.812  -6.931   4.428
   44    HA   PRO   7           HA       PRO   7  -3.949  -1.637   4.937
   45   1HB   PRO   7          HB2       PRO   7  -2.927  -1.800   7.720
   46   2HB   PRO   7          HB1       PRO   7  -4.511  -1.288   7.130
   47   1HG   PRO   7          HG2       PRO   7  -4.193  -3.650   8.328
   48   2HG   PRO   7          HG1       PRO   7  -5.296  -3.459   6.953
   49   1HD   PRO   7          HD2       PRO   7  -2.559  -4.659   7.038
   50   2HD   PRO   7          HD1       PRO   7  -3.988  -5.171   6.118
   51    H    CYS   8           HN       CYS   8  -2.380  -0.724   3.621
   52    HA   CYS   8           HA       CYS   8   0.249  -0.161   4.753
   53   1HB   CYS   8          HB2       CYS   8   0.715   0.764   2.456
   54   2HB   CYS   8          HB1       CYS   8   0.317  -0.949   2.495
   55    H    ARG   9           HN       ARG   9   1.070   2.144   3.956
   56    HA   ARG   9           HA       ARG   9  -0.814   4.035   5.154
   57   1HB   ARG   9          HB2       ARG   9   1.147   5.497   5.445
   58   2HB   ARG   9          HB1       ARG   9   1.372   3.930   6.209
   59   1HG   ARG   9          HG2       ARG   9   2.676   3.218   4.210
   60   2HG   ARG   9          HG1       ARG   9   2.563   4.875   3.613
   61   1HD   ARG   9          HD2       ARG   9   3.630   5.633   5.736
   62   2HD   ARG   9          HD1       ARG   9   3.874   3.940   6.160
   63    HE   ARG   9           HE       ARG   9   5.027   4.133   3.724
   64   1HH1  ARG   9          HH11      ARG   9   5.349   5.967   6.667
   65   2HH1  ARG   9          HH12      ARG   9   7.007   6.382   6.380
   66   1HH2  ARG   9          HH21      ARG   9   7.208   4.676   3.335
   67   2HH2  ARG   9          HH22      ARG   9   8.062   5.649   4.485
   68    H    LYS  10           HN       LYS  10  -1.718   5.624   4.034
   69    HA   LYS  10           HA       LYS  10  -1.480   5.695   1.191
   70   1HB   LYS  10          HB2       LYS  10  -2.933   7.489   3.139
   71   2HB   LYS  10          HB1       LYS  10  -3.031   7.671   1.393
   72   1HG   LYS  10          HG2       LYS  10  -3.591   4.970   1.954
   73   2HG   LYS  10          HG1       LYS  10  -4.507   5.936   3.112
   74   1HD   LYS  10          HD2       LYS  10  -4.609   7.042   0.428
   75   2HD   LYS  10          HD1       LYS  10  -5.224   5.390   0.494
   76   1HE   LYS  10          HE2       LYS  10  -6.731   6.028   2.316
   77   2HE   LYS  10          HE1       LYS  10  -6.118   7.680   2.242
   78   1HZ   LYS  10          HZ1       LYS  10  -7.175   6.513  -0.221
   79   2HZ   LYS  10          HZ2       LYS  10  -7.240   8.110   0.332
   80   3HZ   LYS  10          HZ3       LYS  10  -8.289   6.951   0.976
   81    H    THR  11           HN       THR  11   0.910   6.386   2.864
   82    HA   THR  11           HA       THR  11   1.437   9.172   2.379
   83    HB   THR  11           HB       THR  11   3.306   6.960   3.253
   84    HG1  THR  11           HG1      THR  11   2.481   7.260   5.175
   85   1HG2  THR  11          HG21      THR  11   4.338   9.245   4.270
   86   2HG2  THR  11          HG22      THR  11   3.678   9.837   2.745
   87   3HG2  THR  11          HG23      THR  11   4.853   8.522   2.745
   88    H    MET  12           HN       MET  12   2.748   6.096   1.156
   89    HA   MET  12           HA       MET  12   3.167   7.249  -1.460
   90   1HB   MET  12          HB2       MET  12   5.568   6.812  -1.529
   91   2HB   MET  12          HB1       MET  12   5.191   7.960  -0.251
   92   1HG   MET  12          HG2       MET  12   5.091   5.711   1.177
   93   2HG   MET  12          HG1       MET  12   6.213   5.192  -0.081
   94   1HE   MET  12          HE1       MET  12   8.977   5.396   1.519
   95   2HE   MET  12          HE2       MET  12   9.310   6.644   0.317
   96   3HE   MET  12          HE3       MET  12   8.249   5.294  -0.084
   97    H    TYR  13           HN       TYR  13   5.091   5.267  -2.255
   98    HA   TYR  13           HA       TYR  13   3.324   2.932  -2.350
   99   1HB   TYR  13          HB2       TYR  13   5.786   3.075  -4.018
  100   2HB   TYR  13          HB1       TYR  13   4.194   2.440  -4.418
  101    HD1  TYR  13           HD1      TYR  13   6.310   5.422  -4.327
  102    HD2  TYR  13           HD2      TYR  13   2.441   3.913  -5.254
  103    HE1  TYR  13           HE1      TYR  13   5.808   7.486  -5.567
  104    HE2  TYR  13           HE2      TYR  13   1.929   5.972  -6.497
  105    HH   TYR  13           HH       TYR  13   3.236   8.677  -6.191
  106    H    ASP  14           HN       ASP  14   4.051   2.536  -0.067
  107    HA   ASP  14           HA       ASP  14   6.750   1.580   0.289
  108   1HB   ASP  14          HB2       ASP  14   4.631   2.458   1.982
  109   2HB   ASP  14          HB1       ASP  14   5.095   0.835   2.479
  110    H    CYS  15           HN       CYS  15   3.846   0.219  -0.819
  111    HA   CYS  15           HA       CYS  15   3.916  -2.365   0.221
  112   1HB   CYS  15          HB2       CYS  15   2.086  -1.391  -1.217
  113   2HB   CYS  15          HB1       CYS  15   3.125  -1.666  -2.611
  114    H    CYS  16           HN       CYS  16   5.176  -4.092  -0.084
  115    HA   CYS  16           HA       CYS  16   7.619  -3.836  -1.524
  116   1HB   CYS  16          HB2       CYS  16   6.631  -5.487   0.510
  117   2HB   CYS  16          HB1       CYS  16   6.972  -6.572  -0.833
  118    H    LYS  17           HN       LYS  17   4.483  -4.972  -2.345
  119    HA   LYS  17           HA       LYS  17   5.540  -5.995  -4.896
  120   1HB   LYS  17          HB2       LYS  17   2.969  -7.069  -3.832
  121   2HB   LYS  17          HB1       LYS  17   4.155  -7.836  -4.879
  122   1HG   LYS  17          HG2       LYS  17   4.723  -7.257  -1.992
  123   2HG   LYS  17          HG1       LYS  17   3.922  -8.740  -2.517
  124   1HD   LYS  17          HD2       LYS  17   6.132  -8.476  -4.197
  125   2HD   LYS  17          HD1       LYS  17   6.723  -8.032  -2.594
  126   1HE   LYS  17          HE2       LYS  17   5.347 -10.199  -1.915
  127   2HE   LYS  17          HE1       LYS  17   5.677 -10.627  -3.593
  128   1HZ   LYS  17          HZ1       LYS  17   7.803 -11.036  -3.130
  129   2HZ   LYS  17          HZ2       LYS  17   7.356 -11.024  -1.499
  130   3HZ   LYS  17          HZ3       LYS  17   7.984  -9.625  -2.212
  131    H    GLY  18           HN       GLY  18   4.882  -3.358  -4.617
  132   1HA   GLY  18          HA2       GLY  18   3.546  -2.497  -6.669
  133   2HA   GLY  18          HA1       GLY  18   2.178  -3.079  -5.733
  134    H    ARG  19           HN       ARG  19   1.129  -1.336  -5.037
  135    HA   ARG  19           HA       ARG  19   2.592   0.573  -3.381
  136   1HB   ARG  19          HB2       ARG  19   0.917   2.294  -4.631
  137   2HB   ARG  19          HB1       ARG  19   2.592   2.041  -5.100
  138   1HG   ARG  19          HG2       ARG  19   1.987   0.641  -6.893
  139   2HG   ARG  19          HG1       ARG  19   0.334   0.467  -6.299
  140   1HD   ARG  19          HD2       ARG  19  -0.151   2.079  -7.779
  141   2HD   ARG  19          HD1       ARG  19   0.538   3.169  -6.578
  142    HE   ARG  19           HE       ARG  19   2.491   2.091  -8.382
  143   1HH1  ARG  19          HH11      ARG  19   0.113   4.598  -7.922
  144   2HH1  ARG  19          HH12      ARG  19   0.868   5.695  -9.029
  145   1HH2  ARG  19          HH21      ARG  19   3.489   3.530  -9.841
  146   2HH2  ARG  19          HH22      ARG  19   2.786   5.088 -10.120
  147    H    CYS  20           HN       CYS  20   0.972   2.121  -2.296
  148    HA   CYS  20           HA       CYS  20  -0.898   0.551  -0.865
  149   1HB   CYS  20          HB2       CYS  20   0.377   2.814  -0.271
  150   2HB   CYS  20          HB1       CYS  20  -1.125   3.523  -0.850
  151    H    GLY  21           HN       GLY  21  -3.227   1.043  -0.653
  152   1HA   GLY  21          HA2       GLY  21  -4.369   1.553  -3.321
  153   2HA   GLY  21          HA1       GLY  21  -5.123   0.583  -2.066
  154    H    ARG  22           HN       ARG  22  -6.750   2.308  -3.165
  155    HA   ARG  22           HA       ARG  22  -6.704   4.848  -1.764
  156   1HB   ARG  22          HB2       ARG  22  -8.860   5.231  -3.018
  157   2HB   ARG  22          HB1       ARG  22  -7.442   4.974  -4.024
  158   1HG   ARG  22          HG2       ARG  22  -8.740   3.526  -5.120
  159   2HG   ARG  22          HG1       ARG  22  -8.394   2.438  -3.774
  160   1HD   ARG  22          HD2       ARG  22 -10.467   3.835  -2.755
  161   2HD   ARG  22          HD1       ARG  22 -10.873   3.876  -4.470
  162    HE   ARG  22           HE       ARG  22 -10.606   1.462  -2.817
  163   1HH1  ARG  22          HH11      ARG  22 -11.588   3.021  -5.774
  164   2HH1  ARG  22          HH12      ARG  22 -12.466   1.648  -6.357
  165   1HH2  ARG  22          HH21      ARG  22 -11.757  -0.352  -3.578
  166   2HH2  ARG  22          HH22      ARG  22 -12.563  -0.271  -5.109
  167    H    ARG  23           HN       ARG  23  -7.451   1.864  -0.817
  168    HA   ARG  23           HA       ARG  23  -9.787   2.696   0.770
  169   1HB   ARG  23          HB2       ARG  23  -9.365   0.388  -0.771
  170   2HB   ARG  23          HB1       ARG  23  -9.229  -0.137   0.902
  171   1HG   ARG  23          HG2       ARG  23 -11.546   1.467  -0.143
  172   2HG   ARG  23          HG1       ARG  23 -11.518  -0.296  -0.094
  173   1HD   ARG  23          HD2       ARG  23 -11.429  -0.335   2.257
  174   2HD   ARG  23          HD1       ARG  23 -10.998   1.373   2.347
  175    HE   ARG  23           HE       ARG  23 -13.662   0.298   1.728
  176   1HH1  ARG  23          HH11      ARG  23 -11.588   2.968   2.574
  177   2HH1  ARG  23          HH12      ARG  23 -12.900   4.036   2.944
  178   1HH2  ARG  23          HH21      ARG  23 -15.392   1.697   2.214
  179   2HH2  ARG  23          HH22      ARG  23 -15.062   3.312   2.740
  180    H    GLY  24           HN       GLY  24  -6.484   1.820   0.889
  181   1HA   GLY  24          HA2       GLY  24  -5.401   2.527   3.019
  182   2HA   GLY  24          HA1       GLY  24  -6.645   1.588   3.830
  183    H    ARG  25           HN       ARG  25  -5.964  -0.143   1.156
  184    HA   ARG  25           HA       ARG  25  -3.723  -1.581   2.412
  185   1HB   ARG  25          HB2       ARG  25  -6.037  -2.925   1.014
  186   2HB   ARG  25          HB1       ARG  25  -4.735  -3.698   1.905
  187   1HG   ARG  25          HG2       ARG  25  -5.983  -1.888   3.673
  188   2HG   ARG  25          HG1       ARG  25  -7.260  -2.786   2.849
  189   1HD   ARG  25          HD2       ARG  25  -5.260  -4.653   3.500
  190   2HD   ARG  25          HD1       ARG  25  -5.488  -3.648   4.931
  191    HE   ARG  25           HE       ARG  25  -7.524  -4.632   5.239
  192   1HH1  ARG  25          HH11      ARG  25  -6.509  -5.182   1.951
  193   2HH1  ARG  25          HH12      ARG  25  -7.829  -6.240   1.585
  194   1HH2  ARG  25          HH21      ARG  25  -9.265  -6.025   4.764
  195   2HH2  ARG  25          HH22      ARG  25  -9.397  -6.717   3.182
  196    H    CYS  26           HN       CYS  26  -2.210  -2.472   1.039
  197    HA   CYS  26           HA       CYS  26  -1.837  -1.239  -1.459
  198   1HB   CYS  26          HB2       CYS  26   0.136  -1.962  -0.446
  199   2HB   CYS  26          HB1       CYS  26  -0.526  -3.547  -0.060
  200   1HN   NH2  27          H1        CYS  26  -1.842  -2.146  -3.565
  201   2HN   NH2  27          H2        CYS  26  -2.880  -3.463  -3.974
  Start of MODEL    4
    1   1H    CYS   1           HT1      CYS   1   8.917  -2.977   5.105
    2   2H    CYS   1           HT2      CYS   1  10.031  -2.385   3.978
    3   3H    CYS   1           HT3      CYS   1   9.649  -4.033   4.004
    4    HA   CYS   1           HA       CYS   1   7.986  -1.771   3.103
    5   1HB   CYS   1          HB2       CYS   1   7.867  -3.043   1.056
    6   2HB   CYS   1          HB1       CYS   1   9.556  -2.943   1.545
    7    H    LYS   2           HN       LYS   2   5.789  -2.311   2.463
    8    HA   LYS   2           HA       LYS   2   4.464  -3.858   4.496
    9   1HB   LYS   2          HB2       LYS   2   3.119  -2.623   2.104
   10   2HB   LYS   2          HB1       LYS   2   2.456  -2.914   3.707
   11   1HG   LYS   2          HG2       LYS   2   4.756  -1.049   3.450
   12   2HG   LYS   2          HG1       LYS   2   3.162  -0.506   2.926
   13   1HD   LYS   2          HD2       LYS   2   2.307  -1.261   5.184
   14   2HD   LYS   2          HD1       LYS   2   3.995  -1.450   5.661
   15   1HE   LYS   2          HE2       LYS   2   4.412   0.895   5.253
   16   2HE   LYS   2          HE1       LYS   2   2.779   1.111   4.625
   17   1HZ   LYS   2          HZ1       LYS   2   2.985   1.877   6.916
   18   2HZ   LYS   2          HZ2       LYS   2   3.456   0.330   7.411
   19   3HZ   LYS   2          HZ3       LYS   2   1.898   0.585   6.804
   20    H    GLY   3           HN       GLY   3   2.256  -4.859   3.137
   21   1HA   GLY   3          HA2       GLY   3   3.303  -6.732   1.144
   22   2HA   GLY   3          HA1       GLY   3   2.648  -7.409   2.627
   23    H    LYS   4           HN       LYS   4   1.665  -7.920   0.008
   24    HA   LYS   4           HA       LYS   4  -0.559  -6.377  -0.701
   25   1HB   LYS   4          HB2       LYS   4   0.689  -8.483  -1.823
   26   2HB   LYS   4          HB1       LYS   4  -0.720  -9.301  -1.160
   27   1HG   LYS   4          HG2       LYS   4  -1.722  -7.016  -2.408
   28   2HG   LYS   4          HG1       LYS   4  -0.491  -7.649  -3.503
   29   1HD   LYS   4          HD2       LYS   4  -1.617  -9.927  -3.129
   30   2HD   LYS   4          HD1       LYS   4  -2.966  -8.999  -2.471
   31   1HE   LYS   4          HE2       LYS   4  -3.707  -8.660  -4.536
   32   2HE   LYS   4          HE1       LYS   4  -2.231  -7.766  -4.897
   33   1HZ   LYS   4          HZ1       LYS   4  -2.969  -9.958  -6.198
   34   2HZ   LYS   4          HZ2       LYS   4  -2.021 -10.663  -4.988
   35   3HZ   LYS   4          HZ3       LYS   4  -1.352  -9.494  -6.014
   36    H    GLY   5           HN       GLY   5  -2.639  -6.317  -0.049
   37   1HA   GLY   5          HA2       GLY   5  -4.585  -6.955   1.053
   38   2HA   GLY   5          HA1       GLY   5  -3.755  -8.391   1.632
   39    H    ALA   6           HN       ALA   6  -1.570  -6.313   2.478
   40    HA   ALA   6           HA       ALA   6  -2.612  -6.022   5.171
   41   1HB   ALA   6          HB1       ALA   6   0.048  -5.968   3.904
   42   2HB   ALA   6          HB2       ALA   6  -0.462  -6.651   5.448
   43   3HB   ALA   6          HB3       ALA   6  -0.157  -4.919   5.307
   44    HA   PRO   7           HA       PRO   7  -3.905  -1.820   4.527
   45   1HB   PRO   7          HB2       PRO   7  -4.072  -1.067   7.141
   46   2HB   PRO   7          HB1       PRO   7  -5.290  -2.062   6.334
   47   1HG   PRO   7          HG2       PRO   7  -3.038  -2.902   8.121
   48   2HG   PRO   7          HG1       PRO   7  -4.719  -3.468   8.098
   49   1HD   PRO   7          HD2       PRO   7  -2.718  -4.883   6.975
   50   2HD   PRO   7          HD1       PRO   7  -4.357  -4.866   6.293
   51    H    CYS   8           HN       CYS   8  -1.929  -1.120   3.573
   52    HA   CYS   8           HA       CYS   8   0.251  -0.258   5.245
   53   1HB   CYS   8          HB2       CYS   8   1.188   0.622   3.098
   54   2HB   CYS   8          HB1       CYS   8   0.803  -1.095   3.060
   55    H    ARG   9           HN       ARG   9   1.085   2.109   4.334
   56    HA   ARG   9           HA       ARG   9  -1.049   3.901   5.238
   57   1HB   ARG   9          HB2       ARG   9   0.827   5.530   5.596
   58   2HB   ARG   9          HB1       ARG   9   0.916   4.080   6.584
   59   1HG   ARG   9          HG2       ARG   9   2.745   3.262   5.467
   60   2HG   ARG   9          HG1       ARG   9   2.383   4.162   3.992
   61   1HD   ARG   9          HD2       ARG   9   3.106   6.210   4.978
   62   2HD   ARG   9          HD1       ARG   9   3.229   5.466   6.571
   63    HE   ARG   9           HE       ARG   9   4.952   4.032   5.012
   64   1HH1  ARG   9          HH11      ARG   9   4.562   7.407   5.791
   65   2HH1  ARG   9          HH12      ARG   9   6.249   7.770   5.636
   66   1HH2  ARG   9          HH21      ARG   9   7.176   4.502   4.809
   67   2HH2  ARG   9          HH22      ARG   9   7.734   6.119   5.079
   68    H    LYS  10           HN       LYS  10  -1.920   5.373   3.952
   69    HA   LYS  10           HA       LYS  10  -1.278   5.384   1.155
   70   1HB   LYS  10          HB2       LYS  10  -3.113   7.367   2.468
   71   2HB   LYS  10          HB1       LYS  10  -3.210   6.676   0.854
   72   1HG   LYS  10          HG2       LYS  10  -4.086   4.665   1.632
   73   2HG   LYS  10          HG1       LYS  10  -3.548   4.965   3.287
   74   1HD   LYS  10          HD2       LYS  10  -5.738   5.501   3.555
   75   2HD   LYS  10          HD1       LYS  10  -5.163   7.070   2.986
   76   1HE   LYS  10          HE2       LYS  10  -6.010   5.071   0.957
   77   2HE   LYS  10          HE1       LYS  10  -7.265   5.864   1.909
   78   1HZ   LYS  10          HZ1       LYS  10  -6.437   6.906  -0.311
   79   2HZ   LYS  10          HZ2       LYS  10  -5.183   7.508   0.650
   80   3HZ   LYS  10          HZ3       LYS  10  -6.789   7.899   1.013
   81    H    THR  11           HN       THR  11   0.967   6.151   2.438
   82    HA   THR  11           HA       THR  11   1.143   9.066   2.252
   83    HB   THR  11           HB       THR  11   2.903   6.960   3.490
   84    HG1  THR  11           HG1      THR  11   1.081   8.757   4.363
   85   1HG2  THR  11          HG21      THR  11   4.739   8.170   3.174
   86   2HG2  THR  11          HG22      THR  11   3.979   9.531   3.999
   87   3HG2  THR  11          HG23      THR  11   3.818   9.359   2.252
   88    H    MET  12           HN       MET  12   2.719   6.116   1.068
   89    HA   MET  12           HA       MET  12   3.390   7.446  -1.420
   90   1HB   MET  12          HB2       MET  12   5.799   6.713  -1.224
   91   2HB   MET  12          HB1       MET  12   5.331   8.047  -0.177
   92   1HG   MET  12          HG2       MET  12   5.912   6.921   1.636
   93   2HG   MET  12          HG1       MET  12   4.931   5.533   1.162
   94   1HE   MET  12          HE1       MET  12   8.896   6.954   0.456
   95   2HE   MET  12          HE2       MET  12   9.203   5.738   1.696
   96   3HE   MET  12          HE3       MET  12   7.981   6.981   1.963
   97    H    TYR  13           HN       TYR  13   5.516   5.195  -1.645
   98    HA   TYR  13           HA       TYR  13   3.611   3.029  -2.238
   99   1HB   TYR  13          HB2       TYR  13   5.933   2.680  -3.818
  100   2HB   TYR  13          HB1       TYR  13   4.310   3.083  -4.362
  101    HD1  TYR  13           HD1      TYR  13   3.752   5.310  -5.050
  102    HD2  TYR  13           HD2      TYR  13   7.601   4.460  -3.447
  103    HE1  TYR  13           HE1      TYR  13   4.557   7.497  -5.836
  104    HE2  TYR  13           HE2      TYR  13   8.415   6.644  -4.226
  105    HH   TYR  13           HH       TYR  13   7.233   8.968  -4.764
  106    H    ASP  14           HN       ASP  14   4.306   2.711   0.154
  107    HA   ASP  14           HA       ASP  14   6.892   1.513   0.555
  108   1HB   ASP  14          HB2       ASP  14   4.578   2.249   2.227
  109   2HB   ASP  14          HB1       ASP  14   5.460   0.827   2.772
  110    H    CYS  15           HN       CYS  15   3.972   0.457  -0.709
  111    HA   CYS  15           HA       CYS  15   3.823  -2.182   0.267
  112   1HB   CYS  15          HB2       CYS  15   2.053  -0.873  -1.034
  113   2HB   CYS  15          HB1       CYS  15   2.946  -1.316  -2.485
  114    H    CYS  16           HN       CYS  16   5.045  -3.907  -0.123
  115    HA   CYS  16           HA       CYS  16   7.335  -3.760  -1.791
  116   1HB   CYS  16          HB2       CYS  16   6.355  -5.487   0.233
  117   2HB   CYS  16          HB1       CYS  16   6.670  -6.482  -1.186
  118    H    LYS  17           HN       LYS  17   4.136  -4.225  -2.549
  119    HA   LYS  17           HA       LYS  17   4.853  -5.495  -5.101
  120   1HB   LYS  17          HB2       LYS  17   2.503  -6.116  -3.319
  121   2HB   LYS  17          HB1       LYS  17   2.528  -6.541  -5.025
  122   1HG   LYS  17          HG2       LYS  17   3.331  -8.483  -4.218
  123   2HG   LYS  17          HG1       LYS  17   4.864  -7.609  -4.284
  124   1HD   LYS  17          HD2       LYS  17   4.550  -6.954  -1.922
  125   2HD   LYS  17          HD1       LYS  17   3.073  -7.918  -1.875
  126   1HE   LYS  17          HE2       LYS  17   5.026  -9.623  -2.905
  127   2HE   LYS  17          HE1       LYS  17   5.826  -8.746  -1.600
  128   1HZ   LYS  17          HZ1       LYS  17   4.337  -9.552  -0.039
  129   2HZ   LYS  17          HZ2       LYS  17   4.576 -10.892  -1.042
  130   3HZ   LYS  17          HZ3       LYS  17   3.170  -9.965  -1.192
  131    H    GLY  18           HN       GLY  18   4.985  -3.082  -5.524
  132   1HA   GLY  18          HA2       GLY  18   3.969  -1.636  -7.114
  133   2HA   GLY  18          HA1       GLY  18   2.395  -2.228  -6.606
  134    H    ARG  19           HN       ARG  19   1.242  -1.008  -5.253
  135    HA   ARG  19           HA       ARG  19   2.510   0.739  -3.339
  136   1HB   ARG  19          HB2       ARG  19   0.936   2.648  -4.367
  137   2HB   ARG  19          HB1       ARG  19   2.616   2.443  -4.844
  138   1HG   ARG  19          HG2       ARG  19   1.977   2.188  -6.943
  139   2HG   ARG  19          HG1       ARG  19   1.063   0.749  -6.488
  140   1HD   ARG  19          HD2       ARG  19  -0.633   2.002  -7.351
  141   2HD   ARG  19          HD1       ARG  19  -0.686   2.562  -5.680
  142    HE   ARG  19           HE       ARG  19   0.219   4.603  -6.351
  143   1HH1  ARG  19          HH11      ARG  19  -0.003   2.375  -9.021
  144   2HH1  ARG  19          HH12      ARG  19   0.227   3.596 -10.226
  145   1HH2  ARG  19          HH21      ARG  19   0.522   6.217  -7.932
  146   2HH2  ARG  19          HH22      ARG  19   0.526   5.781  -9.608
  147    H    CYS  20           HN       CYS  20   0.718   2.096  -2.206
  148    HA   CYS  20           HA       CYS  20  -1.149   0.275  -1.128
  149   1HB   CYS  20          HB2       CYS  20  -0.827   3.262  -0.879
  150   2HB   CYS  20          HB1       CYS  20  -2.104   2.385  -0.041
  151    H    GLY  21           HN       GLY  21  -3.543   0.858  -0.945
  152   1HA   GLY  21          HA2       GLY  21  -4.550   1.228  -3.676
  153   2HA   GLY  21          HA1       GLY  21  -5.416   0.461  -2.354
  154    H    ARG  22           HN       ARG  22  -7.052   1.997  -3.433
  155    HA   ARG  22           HA       ARG  22  -6.809   4.766  -2.610
  156   1HB   ARG  22          HB2       ARG  22  -9.114   3.332  -3.942
  157   2HB   ARG  22          HB1       ARG  22  -8.963   5.071  -3.736
  158   1HG   ARG  22          HG2       ARG  22  -7.025   5.105  -5.191
  159   2HG   ARG  22          HG1       ARG  22  -7.096   3.349  -5.354
  160   1HD   ARG  22          HD2       ARG  22  -9.551   3.850  -6.149
  161   2HD   ARG  22          HD1       ARG  22  -8.881   5.442  -6.502
  162    HE   ARG  22           HE       ARG  22  -7.146   4.086  -7.815
  163   1HH1  ARG  22          HH11      ARG  22 -10.490   3.182  -7.431
  164   2HH1  ARG  22          HH12      ARG  22 -10.563   2.320  -8.932
  165   1HH2  ARG  22          HH21      ARG  22  -7.233   2.952  -9.790
  166   2HH2  ARG  22          HH22      ARG  22  -8.712   2.191 -10.274
  167    H    ARG  23           HN       ARG  23  -7.298   2.211  -0.837
  168    HA   ARG  23           HA       ARG  23  -9.356   3.495   0.832
  169   1HB   ARG  23          HB2       ARG  23  -9.452   0.916  -0.362
  170   2HB   ARG  23          HB1       ARG  23  -9.261   0.691   1.371
  171   1HG   ARG  23          HG2       ARG  23 -11.335   1.404   1.819
  172   2HG   ARG  23          HG1       ARG  23 -11.262   2.695   0.619
  173   1HD   ARG  23          HD2       ARG  23 -11.432   0.786  -1.109
  174   2HD   ARG  23          HD1       ARG  23 -11.993  -0.187   0.249
  175    HE   ARG  23           HE       ARG  23 -13.362   2.146  -0.891
  176   1HH1  ARG  23          HH11      ARG  23 -13.343  -0.609   1.247
  177   2HH1  ARG  23          HH12      ARG  23 -15.050  -0.557   1.534
  178   1HH2  ARG  23          HH21      ARG  23 -15.609   2.217  -0.517
  179   2HH2  ARG  23          HH22      ARG  23 -16.337   1.048   0.533
  180    H    GLY  24           HN       GLY  24  -6.362   1.705   0.640
  181   1HA   GLY  24          HA2       GLY  24  -4.795   2.617   2.457
  182   2HA   GLY  24          HA1       GLY  24  -6.009   1.973   3.552
  183    H    ARG  25           HN       ARG  25  -6.115  -0.132   1.114
  184    HA   ARG  25           HA       ARG  25  -4.182  -1.918   2.414
  185   1HB   ARG  25          HB2       ARG  25  -6.813  -2.330   1.854
  186   2HB   ARG  25          HB1       ARG  25  -6.055  -3.046   0.439
  187   1HG   ARG  25          HG2       ARG  25  -6.078  -4.869   1.777
  188   2HG   ARG  25          HG1       ARG  25  -4.541  -4.179   2.301
  189   1HD   ARG  25          HD2       ARG  25  -5.321  -3.692   4.348
  190   2HD   ARG  25          HD1       ARG  25  -6.872  -3.132   3.724
  191    HE   ARG  25           HE       ARG  25  -6.706  -5.945   3.530
  192   1HH1  ARG  25          HH11      ARG  25  -7.104  -3.393   5.871
  193   2HH1  ARG  25          HH12      ARG  25  -7.991  -4.379   6.984
  194   1HH2  ARG  25          HH21      ARG  25  -7.874  -7.247   4.988
  195   2HH2  ARG  25          HH22      ARG  25  -8.430  -6.569   6.482
  196    H    CYS  26           HN       CYS  26  -2.729  -3.162   1.208
  197    HA   CYS  26           HA       CYS  26  -1.460  -1.906  -0.925
  198   1HB   CYS  26          HB2       CYS  26  -1.261  -4.503   0.439
  199   2HB   CYS  26          HB1       CYS  26  -0.702  -4.519  -1.230
  200   1HN   NH2  27          H1        CYS  26  -1.166  -2.699  -3.134
  201   2HN   NH2  27          H2        CYS  26  -2.516  -3.370  -3.976
  Start of MODEL    5
    1   1H    CYS   1           HT1      CYS   1   9.189  -2.527   4.960
    2   2H    CYS   1           HT2      CYS   1  10.213  -2.682   3.624
    3   3H    CYS   1           HT3      CYS   1   9.418  -4.041   4.240
    4    HA   CYS   1           HA       CYS   1   8.028  -1.695   3.085
    5   1HB   CYS   1          HB2       CYS   1   7.639  -3.306   1.149
    6   2HB   CYS   1          HB1       CYS   1   9.268  -2.658   1.303
    7    H    LYS   2           HN       LYS   2   5.806  -2.388   2.356
    8    HA   LYS   2           HA       LYS   2   4.517  -3.775   4.544
    9   1HB   LYS   2          HB2       LYS   2   3.098  -2.721   2.116
   10   2HB   LYS   2          HB1       LYS   2   2.498  -2.875   3.761
   11   1HG   LYS   2          HG2       LYS   2   4.776  -1.035   3.254
   12   2HG   LYS   2          HG1       LYS   2   3.159  -0.542   2.747
   13   1HD   LYS   2          HD2       LYS   2   2.377  -1.051   5.077
   14   2HD   LYS   2          HD1       LYS   2   4.069  -1.283   5.524
   15   1HE   LYS   2          HE2       LYS   2   4.299   1.105   4.378
   16   2HE   LYS   2          HE1       LYS   2   2.601   1.211   4.843
   17   1HZ   LYS   2          HZ1       LYS   2   3.793   2.079   6.639
   18   2HZ   LYS   2          HZ2       LYS   2   4.958   0.853   6.595
   19   3HZ   LYS   2          HZ3       LYS   2   3.391   0.510   7.130
   20    H    GLY   3           HN       GLY   3   2.290  -4.850   3.253
   21   1HA   GLY   3          HA2       GLY   3   3.403  -6.905   1.466
   22   2HA   GLY   3          HA1       GLY   3   2.543  -7.398   2.917
   23    H    LYS   4           HN       LYS   4   1.865  -8.019   0.180
   24    HA   LYS   4           HA       LYS   4  -0.229  -6.404  -0.784
   25   1HB   LYS   4          HB2       LYS   4   1.082  -8.358  -1.920
   26   2HB   LYS   4          HB1       LYS   4  -0.180  -9.368  -1.230
   27   1HG   LYS   4          HG2       LYS   4  -1.642  -8.769  -2.792
   28   2HG   LYS   4          HG1       LYS   4  -1.271  -7.056  -2.588
   29   1HD   LYS   4          HD2       LYS   4   0.153  -7.031  -4.331
   30   2HD   LYS   4          HD1       LYS   4   0.822  -8.614  -3.933
   31   1HE   LYS   4          HE2       LYS   4  -0.240  -9.033  -5.939
   32   2HE   LYS   4          HE1       LYS   4  -1.470  -9.504  -4.767
   33   1HZ   LYS   4          HZ1       LYS   4  -1.338  -6.971  -6.306
   34   2HZ   LYS   4          HZ2       LYS   4  -2.422  -7.237  -5.035
   35   3HZ   LYS   4          HZ3       LYS   4  -2.507  -8.188  -6.430
   36    H    GLY   5           HN       GLY   5  -2.320  -6.232  -0.252
   37   1HA   GLY   5          HA2       GLY   5  -4.404  -6.921   0.576
   38   2HA   GLY   5          HA1       GLY   5  -3.634  -8.339   1.272
   39    H    ALA   6           HN       ALA   6  -1.532  -6.403   2.382
   40    HA   ALA   6           HA       ALA   6  -2.863  -6.001   4.912
   41   1HB   ALA   6          HB1       ALA   6  -0.745  -5.615   5.821
   42   2HB   ALA   6          HB2       ALA   6  -0.070  -5.111   4.272
   43   3HB   ALA   6          HB3       ALA   6  -0.456  -6.809   4.555
   44    HA   PRO   7           HA       PRO   7  -4.034  -1.787   4.215
   45   1HB   PRO   7          HB2       PRO   7  -4.147  -0.941   6.807
   46   2HB   PRO   7          HB1       PRO   7  -5.397  -1.933   6.047
   47   1HG   PRO   7          HG2       PRO   7  -3.148  -2.761   7.839
   48   2HG   PRO   7          HG1       PRO   7  -4.838  -3.299   7.841
   49   1HD   PRO   7          HD2       PRO   7  -2.864  -4.780   6.754
   50   2HD   PRO   7          HD1       PRO   7  -4.508  -4.760   6.082
   51    H    CYS   8           HN       CYS   8  -2.156  -1.016   3.206
   52    HA   CYS   8           HA       CYS   8   0.129  -0.198   4.759
   53   1HB   CYS   8          HB2       CYS   8   0.831   0.839   2.533
   54   2HB   CYS   8          HB1       CYS   8   0.652  -0.912   2.568
   55    H    ARG   9           HN       ARG   9   0.960   2.146   4.130
   56    HA   ARG   9           HA       ARG   9  -1.114   3.930   5.134
   57   1HB   ARG   9          HB2       ARG   9   0.788   5.534   5.432
   58   2HB   ARG   9          HB1       ARG   9   0.948   4.040   6.345
   59   1HG   ARG   9          HG2       ARG   9   2.614   3.217   4.917
   60   2HG   ARG   9          HG1       ARG   9   2.249   4.411   3.668
   61   1HD   ARG   9          HD2       ARG   9   3.164   6.175   4.968
   62   2HD   ARG   9          HD1       ARG   9   3.273   5.151   6.399
   63    HE   ARG   9           HE       ARG   9   4.813   4.099   4.257
   64   1HH1  ARG   9          HH11      ARG   9   4.806   6.571   6.715
   65   2HH1  ARG   9          HH12      ARG   9   6.533   6.662   6.808
   66   1HH2  ARG   9          HH21      ARG   9   7.084   4.211   4.376
   67   2HH2  ARG   9          HH22      ARG   9   7.828   5.322   5.476
   68    H    LYS  10           HN       LYS  10  -1.993   5.541   4.003
   69    HA   LYS  10           HA       LYS  10  -1.654   5.595   1.162
   70   1HB   LYS  10          HB2       LYS  10  -3.198   7.536   2.890
   71   2HB   LYS  10          HB1       LYS  10  -3.397   7.275   1.162
   72   1HG   LYS  10          HG2       LYS  10  -4.300   5.102   1.515
   73   2HG   LYS  10          HG1       LYS  10  -3.887   5.147   3.230
   74   1HD   LYS  10          HD2       LYS  10  -5.422   7.148   3.415
   75   2HD   LYS  10          HD1       LYS  10  -5.969   6.768   1.780
   76   1HE   LYS  10          HE2       LYS  10  -7.508   5.523   2.855
   77   2HE   LYS  10          HE1       LYS  10  -6.198   4.346   2.953
   78   1HZ   LYS  10          HZ1       LYS  10  -7.458   5.864   5.045
   79   2HZ   LYS  10          HZ2       LYS  10  -5.768   5.909   5.115
   80   3HZ   LYS  10          HZ3       LYS  10  -6.577   4.422   5.136
   81    H    THR  11           HN       THR  11   0.732   6.264   2.604
   82    HA   THR  11           HA       THR  11   1.119   9.122   2.221
   83    HB   THR  11           HB       THR  11   2.967   6.970   3.268
   84    HG1  THR  11           HG1      THR  11   1.877   9.152   4.712
   85   1HG2  THR  11          HG21      THR  11   4.299   8.696   2.234
   86   2HG2  THR  11          HG22      THR  11   4.406   8.855   3.987
   87   3HG2  THR  11          HG23      THR  11   3.380   9.953   3.063
   88    H    MET  12           HN       MET  12   2.867   6.167   1.260
   89    HA   MET  12           HA       MET  12   3.280   7.294  -1.405
   90   1HB   MET  12          HB2       MET  12   5.701   6.640  -1.296
   91   2HB   MET  12          HB1       MET  12   5.265   7.999  -0.268
   92   1HG   MET  12          HG2       MET  12   4.938   5.713   1.315
   93   2HG   MET  12          HG1       MET  12   6.449   5.485   0.435
   94   1HE   MET  12          HE1       MET  12   8.026   5.460   1.786
   95   2HE   MET  12          HE2       MET  12   8.237   6.340   3.300
   96   3HE   MET  12          HE3       MET  12   8.919   6.981   1.806
   97    H    TYR  13           HN       TYR  13   5.269   5.233  -2.017
   98    HA   TYR  13           HA       TYR  13   3.433   2.949  -2.224
   99   1HB   TYR  13          HB2       TYR  13   5.622   2.497  -3.919
  100   2HB   TYR  13          HB1       TYR  13   3.998   2.984  -4.390
  101    HD1  TYR  13           HD1      TYR  13   3.513   5.279  -4.996
  102    HD2  TYR  13           HD2      TYR  13   7.428   4.128  -3.793
  103    HE1  TYR  13           HE1      TYR  13   4.399   7.398  -5.873
  104    HE2  TYR  13           HE2      TYR  13   8.325   6.244  -4.664
  105    HH   TYR  13           HH       TYR  13   6.582   8.278  -6.701
  106    H    ASP  14           HN       ASP  14   4.040   2.405   0.010
  107    HA   ASP  14           HA       ASP  14   6.739   1.434   0.430
  108   1HB   ASP  14          HB2       ASP  14   4.740   2.439   2.099
  109   2HB   ASP  14          HB1       ASP  14   4.845   0.730   2.513
  110    H    CYS  15           HN       CYS  15   3.805   0.191  -0.739
  111    HA   CYS  15           HA       CYS  15   3.821  -2.440   0.192
  112   1HB   CYS  15          HB2       CYS  15   2.916  -1.348  -2.480
  113   2HB   CYS  15          HB1       CYS  15   2.575  -2.977  -1.910
  114    H    CYS  16           HN       CYS  16   5.299  -3.973   0.000
  115    HA   CYS  16           HA       CYS  16   7.614  -3.745  -1.566
  116   1HB   CYS  16          HB2       CYS  16   6.734  -5.407   0.473
  117   2HB   CYS  16          HB1       CYS  16   6.935  -6.497  -0.893
  118    H    LYS  17           HN       LYS  17   4.468  -4.816  -2.394
  119    HA   LYS  17           HA       LYS  17   5.500  -5.758  -4.984
  120   1HB   LYS  17          HB2       LYS  17   2.972  -6.966  -4.021
  121   2HB   LYS  17          HB1       LYS  17   4.271  -7.675  -4.972
  122   1HG   LYS  17          HG2       LYS  17   4.628  -7.055  -2.064
  123   2HG   LYS  17          HG1       LYS  17   3.881  -8.560  -2.605
  124   1HD   LYS  17          HD2       LYS  17   5.864  -9.157  -3.837
  125   2HD   LYS  17          HD1       LYS  17   6.600  -7.592  -3.482
  126   1HE   LYS  17          HE2       LYS  17   7.397  -8.348  -1.551
  127   2HE   LYS  17          HE1       LYS  17   5.791  -8.869  -1.044
  128   1HZ   LYS  17          HZ1       LYS  17   7.829 -10.412  -2.533
  129   2HZ   LYS  17          HZ2       LYS  17   6.206 -10.887  -2.491
  130   3HZ   LYS  17          HZ3       LYS  17   7.095 -10.792  -1.056
  131    H    GLY  18           HN       GLY  18   4.820  -3.170  -4.717
  132   1HA   GLY  18          HA2       GLY  18   3.403  -2.279  -6.668
  133   2HA   GLY  18          HA1       GLY  18   2.068  -2.950  -5.745
  134    H    ARG  19           HN       ARG  19   1.022  -1.027  -5.388
  135    HA   ARG  19           HA       ARG  19   2.367   0.799  -3.517
  136   1HB   ARG  19          HB2       ARG  19   0.521   1.673  -5.745
  137   2HB   ARG  19          HB1       ARG  19   1.354   2.717  -4.601
  138   1HG   ARG  19          HG2       ARG  19   3.281   2.649  -5.746
  139   2HG   ARG  19          HG1       ARG  19   3.101   0.940  -6.150
  140   1HD   ARG  19          HD2       ARG  19   1.216   2.813  -7.445
  141   2HD   ARG  19          HD1       ARG  19   2.901   2.916  -7.956
  142    HE   ARG  19           HE       ARG  19   1.059   0.735  -8.434
  143   1HH1  ARG  19          HH11      ARG  19   4.377   1.799  -8.409
  144   2HH1  ARG  19          HH12      ARG  19   4.917   0.558  -9.491
  145   1HH2  ARG  19          HH21      ARG  19   1.761  -0.899  -9.861
  146   2HH2  ARG  19          HH22      ARG  19   3.430  -0.974 -10.316
  147    H    CYS  20           HN       CYS  20   0.695   2.275  -2.434
  148    HA   CYS  20           HA       CYS  20  -1.251   0.608  -1.176
  149   1HB   CYS  20          HB2       CYS  20   0.093   2.866  -0.432
  150   2HB   CYS  20          HB1       CYS  20  -1.503   3.517  -0.787
  151    H    GLY  21           HN       GLY  21  -3.565   1.182  -0.998
  152   1HA   GLY  21          HA2       GLY  21  -4.579   2.045  -3.627
  153   2HA   GLY  21          HA1       GLY  21  -5.414   0.955  -2.532
  154    H    ARG  22           HN       ARG  22  -7.186   2.515  -3.076
  155    HA   ARG  22           HA       ARG  22  -7.076   5.144  -1.935
  156   1HB   ARG  22          HB2       ARG  22  -9.248   3.480  -3.177
  157   2HB   ARG  22          HB1       ARG  22  -9.624   5.001  -2.378
  158   1HG   ARG  22          HG2       ARG  22  -8.480   6.260  -3.951
  159   2HG   ARG  22          HG1       ARG  22  -7.519   4.886  -4.498
  160   1HD   ARG  22          HD2       ARG  22  -9.977   5.883  -5.543
  161   2HD   ARG  22          HD1       ARG  22  -8.976   4.563  -6.142
  162    HE   ARG  22           HE       ARG  22 -11.286   4.322  -4.357
  163   1HH1  ARG  22          HH11      ARG  22  -8.774   2.824  -6.251
  164   2HH1  ARG  22          HH12      ARG  22  -9.497   1.251  -6.201
  165   1HH2  ARG  22          HH21      ARG  22 -12.244   2.254  -4.287
  166   2HH2  ARG  22          HH22      ARG  22 -11.468   0.926  -5.086
  167    H    ARG  23           HN       ARG  23  -8.343   2.012  -0.951
  168    HA   ARG  23           HA       ARG  23  -9.637   3.059   1.398
  169   1HB   ARG  23          HB2       ARG  23 -10.179   0.769   1.912
  170   2HB   ARG  23          HB1       ARG  23 -10.451   1.036   0.196
  171   1HG   ARG  23          HG2       ARG  23  -7.776   0.129   0.575
  172   2HG   ARG  23          HG1       ARG  23  -8.879  -0.950   1.430
  173   1HD   ARG  23          HD2       ARG  23  -9.845  -1.694  -0.479
  174   2HD   ARG  23          HD1       ARG  23  -9.691  -0.135  -1.289
  175    HE   ARG  23           HE       ARG  23  -7.449  -2.023  -0.959
  176   1HH1  ARG  23          HH11      ARG  23  -9.242   0.315  -2.820
  177   2HH1  ARG  23          HH12      ARG  23  -8.179   0.234  -4.185
  178   1HH2  ARG  23          HH21      ARG  23  -6.045  -2.135  -2.749
  179   2HH2  ARG  23          HH22      ARG  23  -6.362  -1.160  -4.145
  180    H    GLY  24           HN       GLY  24  -6.476   2.130   0.550
  181   1HA   GLY  24          HA2       GLY  24  -4.712   2.786   2.099
  182   2HA   GLY  24          HA1       GLY  24  -5.713   2.163   3.401
  183    H    ARG  25           HN       ARG  25  -6.210  -0.057   1.141
  184    HA   ARG  25           HA       ARG  25  -4.272  -1.867   2.293
  185   1HB   ARG  25          HB2       ARG  25  -6.408  -2.336   0.208
  186   2HB   ARG  25          HB1       ARG  25  -5.440  -3.591   0.968
  187   1HG   ARG  25          HG2       ARG  25  -6.966  -1.765   2.736
  188   2HG   ARG  25          HG1       ARG  25  -7.864  -2.977   1.820
  189   1HD   ARG  25          HD2       ARG  25  -5.832  -4.481   2.776
  190   2HD   ARG  25          HD1       ARG  25  -5.991  -3.297   4.074
  191    HE   ARG  25           HE       ARG  25  -8.174  -5.045   3.135
  192   1HH1  ARG  25          HH11      ARG  25  -6.563  -3.229   5.637
  193   2HH1  ARG  25          HH12      ARG  25  -7.665  -3.720   6.881
  194   1HH2  ARG  25          HH21      ARG  25  -9.629  -5.691   4.762
  195   2HH2  ARG  25          HH22      ARG  25  -9.408  -5.122   6.383
  196    H    CYS  26           HN       CYS  26  -2.795  -3.151   1.077
  197    HA   CYS  26           HA       CYS  26  -1.341  -1.686  -0.862
  198   1HB   CYS  26          HB2       CYS  26  -1.108  -4.328   0.448
  199   2HB   CYS  26          HB1       CYS  26  -0.337  -4.189  -1.129
  200   1HN   NH2  27          H1        CYS  26  -0.574  -3.320  -2.839
  201   2HN   NH2  27          H2        CYS  26  -1.897  -3.728  -3.871
  Start of MODEL    6
    1   1H    CYS   1           HT1      CYS   1  10.012  -2.558   3.783
    2   2H    CYS   1           HT2      CYS   1   9.298  -4.024   4.235
    3   3H    CYS   1           HT3      CYS   1   8.875  -2.595   5.036
    4    HA   CYS   1           HA       CYS   1   7.895  -1.712   3.022
    5   1HB   CYS   1          HB2       CYS   1   7.635  -3.305   1.097
    6   2HB   CYS   1          HB1       CYS   1   9.294  -2.796   1.396
    7    H    LYS   2           HN       LYS   2   5.703  -2.325   2.277
    8    HA   LYS   2           HA       LYS   2   4.314  -3.731   4.395
    9   1HB   LYS   2          HB2       LYS   2   3.000  -2.542   1.968
   10   2HB   LYS   2          HB1       LYS   2   2.344  -2.746   3.586
   11   1HG   LYS   2          HG2       LYS   2   4.686  -0.951   3.199
   12   2HG   LYS   2          HG1       LYS   2   3.082  -0.393   2.718
   13   1HD   LYS   2          HD2       LYS   2   2.260  -0.919   4.990
   14   2HD   LYS   2          HD1       LYS   2   3.901  -1.374   5.452
   15   1HE   LYS   2          HE2       LYS   2   4.690   0.836   5.209
   16   2HE   LYS   2          HE1       LYS   2   3.249   1.339   4.328
   17   1HZ   LYS   2          HZ1       LYS   2   3.013   0.373   7.100
   18   2HZ   LYS   2          HZ2       LYS   2   2.001   1.425   6.246
   19   3HZ   LYS   2          HZ3       LYS   2   3.503   1.966   6.801
   20    H    GLY   3           HN       GLY   3   2.244  -4.974   3.461
   21   1HA   GLY   3          HA2       GLY   3   3.245  -6.881   1.439
   22   2HA   GLY   3          HA1       GLY   3   2.431  -7.415   2.900
   23    H    LYS   4           HN       LYS   4   1.720  -7.874   0.101
   24    HA   LYS   4           HA       LYS   4  -0.452  -6.259  -0.674
   25   1HB   LYS   4          HB2       LYS   4   0.839  -7.947  -2.091
   26   2HB   LYS   4          HB1       LYS   4  -0.163  -9.183  -1.345
   27   1HG   LYS   4          HG2       LYS   4  -2.112  -8.377  -2.349
   28   2HG   LYS   4          HG1       LYS   4  -1.373  -6.823  -2.740
   29   1HD   LYS   4          HD2       LYS   4   0.255  -8.299  -4.164
   30   2HD   LYS   4          HD1       LYS   4  -1.063  -9.471  -4.085
   31   1HE   LYS   4          HE2       LYS   4  -2.549  -8.040  -5.201
   32   2HE   LYS   4          HE1       LYS   4  -1.533  -6.627  -4.923
   33   1HZ   LYS   4          HZ1       LYS   4  -1.598  -8.005  -7.212
   34   2HZ   LYS   4          HZ2       LYS   4  -0.288  -8.752  -6.444
   35   3HZ   LYS   4          HZ3       LYS   4  -0.274  -7.081  -6.705
   36    H    GLY   5           HN       GLY   5  -2.567  -6.266  -0.157
   37   1HA   GLY   5          HA2       GLY   5  -4.585  -7.074   0.693
   38   2HA   GLY   5          HA1       GLY   5  -3.749  -8.518   1.243
   39    H    ALA   6           HN       ALA   6  -1.939  -5.943   2.218
   40    HA   ALA   6           HA       ALA   6  -3.216  -5.945   4.872
   41   1HB   ALA   6          HB1       ALA   6  -0.967  -5.333   5.737
   42   2HB   ALA   6          HB2       ALA   6  -0.331  -5.523   4.102
   43   3HB   ALA   6          HB3       ALA   6  -1.017  -6.910   4.949
   44    HA   PRO   7           HA       PRO   7  -4.058  -1.626   4.425
   45   1HB   PRO   7          HB2       PRO   7  -4.079  -0.863   7.033
   46   2HB   PRO   7          HB1       PRO   7  -5.385  -1.796   6.291
   47   1HG   PRO   7          HG2       PRO   7  -3.105  -2.743   7.986
   48   2HG   PRO   7          HG1       PRO   7  -4.814  -3.215   8.044
   49   1HD   PRO   7          HD2       PRO   7  -2.929  -4.738   6.843
   50   2HD   PRO   7          HD1       PRO   7  -4.604  -4.662   6.260
   51    H    CYS   8           HN       CYS   8  -2.120  -0.990   3.396
   52    HA   CYS   8           HA       CYS   8   0.213  -0.343   4.963
   53   1HB   CYS   8          HB2       CYS   8   1.131   0.475   2.814
   54   2HB   CYS   8          HB1       CYS   8   0.517  -1.170   2.699
   55    H    ARG   9           HN       ARG   9   1.129   1.995   3.925
   56    HA   ARG   9           HA       ARG   9  -0.736   3.922   5.105
   57   1HB   ARG   9          HB2       ARG   9   1.322   5.423   5.098
   58   2HB   ARG   9          HB1       ARG   9   1.359   4.038   6.181
   59   1HG   ARG   9          HG2       ARG   9   3.097   3.109   5.128
   60   2HG   ARG   9          HG1       ARG   9   2.464   3.501   3.529
   61   1HD   ARG   9          HD2       ARG   9   3.844   5.231   3.359
   62   2HD   ARG   9          HD1       ARG   9   3.238   5.907   4.871
   63    HE   ARG   9           HE       ARG   9   5.689   4.476   4.476
   64   1HH1  ARG   9          HH11      ARG   9   3.216   5.281   6.795
   65   2HH1  ARG   9          HH12      ARG   9   4.256   5.079   8.166
   66   1HH2  ARG   9          HH21      ARG   9   7.064   4.211   6.273
   67   2HH2  ARG   9          HH22      ARG   9   6.443   4.471   7.869
   68    H    LYS  10           HN       LYS  10  -1.772   5.362   3.900
   69    HA   LYS  10           HA       LYS  10  -1.454   5.398   1.056
   70   1HB   LYS  10          HB2       LYS  10  -3.140   7.066   2.926
   71   2HB   LYS  10          HB1       LYS  10  -3.188   7.224   1.176
   72   1HG   LYS  10          HG2       LYS  10  -3.784   4.775   1.092
   73   2HG   LYS  10          HG1       LYS  10  -3.998   4.859   2.842
   74   1HD   LYS  10          HD2       LYS  10  -5.372   7.024   1.505
   75   2HD   LYS  10          HD1       LYS  10  -5.894   5.455   0.889
   76   1HE   LYS  10          HE2       LYS  10  -7.207   6.326   2.844
   77   2HE   LYS  10          HE1       LYS  10  -6.520   4.717   3.057
   78   1HZ   LYS  10          HZ1       LYS  10  -4.934   6.996   3.967
   79   2HZ   LYS  10          HZ2       LYS  10  -5.066   5.443   4.622
   80   3HZ   LYS  10          HZ3       LYS  10  -6.292   6.578   4.886
   81    H    THR  11           HN       THR  11   0.782   6.338   2.828
   82    HA   THR  11           HA       THR  11   1.066   9.153   2.314
   83    HB   THR  11           HB       THR  11   2.924   7.060   3.439
   84    HG1  THR  11           HG1      THR  11   2.241   9.309   4.897
   85   1HG2  THR  11          HG21      THR  11   4.466   8.499   2.464
   86   2HG2  THR  11          HG22      THR  11   4.301   9.143   4.097
   87   3HG2  THR  11          HG23      THR  11   3.468   9.926   2.753
   88    H    MET  12           HN       MET  12   2.581   6.171   1.117
   89    HA   MET  12           HA       MET  12   3.066   7.400  -1.450
   90   1HB   MET  12          HB2       MET  12   5.505   6.893  -1.411
   91   2HB   MET  12          HB1       MET  12   5.036   8.164  -0.291
   92   1HG   MET  12          HG2       MET  12   4.856   5.870   1.229
   93   2HG   MET  12          HG1       MET  12   6.275   5.593   0.220
   94   1HE   MET  12          HE1       MET  12   8.915   6.906   1.519
   95   2HE   MET  12          HE2       MET  12   7.919   5.450   1.487
   96   3HE   MET  12          HE3       MET  12   8.231   6.272   3.016
   97    H    TYR  13           HN       TYR  13   5.244   5.323  -1.865
   98    HA   TYR  13           HA       TYR  13   3.441   3.022  -2.208
   99   1HB   TYR  13          HB2       TYR  13   5.754   2.735  -3.838
  100   2HB   TYR  13          HB1       TYR  13   4.088   2.980  -4.348
  101    HD1  TYR  13           HD1      TYR  13   3.340   5.107  -5.149
  102    HD2  TYR  13           HD2      TYR  13   7.273   4.675  -3.584
  103    HE1  TYR  13           HE1      TYR  13   3.939   7.312  -6.059
  104    HE2  TYR  13           HE2      TYR  13   7.881   6.880  -4.489
  105    HH   TYR  13           HH       TYR  13   5.683   8.690  -6.550
  106    H    ASP  14           HN       ASP  14   4.070   2.582   0.086
  107    HA   ASP  14           HA       ASP  14   6.766   1.631   0.523
  108   1HB   ASP  14          HB2       ASP  14   4.544   2.426   2.167
  109   2HB   ASP  14          HB1       ASP  14   5.113   0.837   2.667
  110    H    CYS  15           HN       CYS  15   3.889   0.335  -0.694
  111    HA   CYS  15           HA       CYS  15   3.882  -2.278   0.263
  112   1HB   CYS  15          HB2       CYS  15   3.106  -1.216  -2.459
  113   2HB   CYS  15          HB1       CYS  15   2.760  -2.851  -1.909
  114    H    CYS  16           HN       CYS  16   5.075  -4.060  -0.118
  115    HA   CYS  16           HA       CYS  16   7.586  -3.788  -1.445
  116   1HB   CYS  16          HB2       CYS  16   6.550  -5.477   0.492
  117   2HB   CYS  16          HB1       CYS  16   6.767  -6.534  -0.898
  118    H    LYS  17           HN       LYS  17   4.455  -4.750  -2.435
  119    HA   LYS  17           HA       LYS  17   5.542  -5.554  -5.043
  120   1HB   LYS  17          HB2       LYS  17   3.432  -7.122  -5.083
  121   2HB   LYS  17          HB1       LYS  17   4.928  -7.654  -4.327
  122   1HG   LYS  17          HG2       LYS  17   3.027  -6.248  -2.569
  123   2HG   LYS  17          HG1       LYS  17   2.517  -7.830  -3.163
  124   1HD   LYS  17          HD2       LYS  17   5.254  -7.956  -2.329
  125   2HD   LYS  17          HD1       LYS  17   4.277  -7.259  -1.037
  126   1HE   LYS  17          HE2       LYS  17   2.725  -9.348  -1.925
  127   2HE   LYS  17          HE1       LYS  17   4.361  -9.990  -2.061
  128   1HZ   LYS  17          HZ1       LYS  17   3.948 -10.500   0.090
  129   2HZ   LYS  17          HZ2       LYS  17   2.854  -9.231   0.319
  130   3HZ   LYS  17          HZ3       LYS  17   4.518  -8.927   0.339
  131    H    GLY  18           HN       GLY  18   5.049  -3.252  -5.444
  132   1HA   GLY  18          HA2       GLY  18   3.559  -2.198  -7.048
  133   2HA   GLY  18          HA1       GLY  18   2.212  -2.946  -6.202
  134    H    ARG  19           HN       ARG  19   1.196  -0.917  -5.971
  135    HA   ARG  19           HA       ARG  19   2.475   0.851  -3.988
  136   1HB   ARG  19          HB2       ARG  19   0.267   1.939  -5.628
  137   2HB   ARG  19          HB1       ARG  19   1.752   2.707  -5.085
  138   1HG   ARG  19          HG2       ARG  19   2.481   2.532  -7.170
  139   2HG   ARG  19          HG1       ARG  19   2.603   0.793  -6.901
  140   1HD   ARG  19          HD2       ARG  19  -0.069   1.155  -7.451
  141   2HD   ARG  19          HD1       ARG  19   0.718   2.311  -8.526
  142    HE   ARG  19           HE       ARG  19   1.935  -0.277  -8.603
  143   1HH1  ARG  19          HH11      ARG  19  -0.702   1.643  -9.831
  144   2HH1  ARG  19          HH12      ARG  19  -0.872   0.714 -11.282
  145   1HH2  ARG  19          HH21      ARG  19   1.716  -1.507 -10.508
  146   2HH2  ARG  19          HH22      ARG  19   0.502  -1.078 -11.667
  147    H    CYS  20           HN       CYS  20   0.659   2.258  -2.886
  148    HA   CYS  20           HA       CYS  20  -1.000   0.392  -1.468
  149   1HB   CYS  20          HB2       CYS  20  -0.394   3.313  -1.230
  150   2HB   CYS  20          HB1       CYS  20  -1.798   2.658  -0.394
  151    H    GLY  21           HN       GLY  21  -3.324   1.440  -0.902
  152   1HA   GLY  21          HA2       GLY  21  -4.629   1.918  -3.512
  153   2HA   GLY  21          HA1       GLY  21  -5.320   0.878  -2.275
  154    H    ARG  22           HN       ARG  22  -6.979   2.713  -3.138
  155    HA   ARG  22           HA       ARG  22  -6.774   5.202  -1.717
  156   1HB   ARG  22          HB2       ARG  22  -9.057   5.613  -2.581
  157   2HB   ARG  22          HB1       ARG  22  -7.928   5.155  -3.848
  158   1HG   ARG  22          HG2       ARG  22  -9.009   3.231  -4.306
  159   2HG   ARG  22          HG1       ARG  22  -9.450   2.950  -2.619
  160   1HD   ARG  22          HD2       ARG  22 -10.756   5.289  -3.764
  161   2HD   ARG  22          HD1       ARG  22 -11.142   3.799  -4.624
  162    HE   ARG  22           HE       ARG  22 -11.678   4.330  -1.782
  163   1HH1  ARG  22          HH11      ARG  22 -12.168   2.434  -4.666
  164   2HH1  ARG  22          HH12      ARG  22 -13.483   1.526  -3.998
  165   1HH2  ARG  22          HH21      ARG  22 -13.407   3.138  -0.898
  166   2HH2  ARG  22          HH22      ARG  22 -14.187   1.926  -1.857
  167    H    ARG  23           HN       ARG  23  -7.968   2.064  -1.042
  168    HA   ARG  23           HA       ARG  23  -9.757   2.925   1.069
  169   1HB   ARG  23          HB2       ARG  23 -10.014   0.851  -0.475
  170   2HB   ARG  23          HB1       ARG  23  -8.873   0.091   0.626
  171   1HG   ARG  23          HG2       ARG  23 -10.942   1.366   2.132
  172   2HG   ARG  23          HG1       ARG  23 -11.657   0.321   0.902
  173   1HD   ARG  23          HD2       ARG  23 -10.287  -1.542   1.680
  174   2HD   ARG  23          HD1       ARG  23  -9.539  -0.500   2.889
  175    HE   ARG  23           HE       ARG  23 -12.279  -1.524   2.929
  176   1HH1  ARG  23          HH11      ARG  23  -9.732   0.307   4.445
  177   2HH1  ARG  23          HH12      ARG  23 -10.502   0.336   5.997
  178   1HH2  ARG  23          HH21      ARG  23 -13.298  -1.494   4.967
  179   2HH2  ARG  23          HH22      ARG  23 -12.528  -0.689   6.294
  180    H    GLY  24           HN       GLY  24  -6.477   1.853   0.700
  181   1HA   GLY  24          HA2       GLY  24  -5.051   2.648   2.610
  182   2HA   GLY  24          HA1       GLY  24  -6.190   1.797   3.641
  183    H    ARG  25           HN       ARG  25  -6.192  -0.217   1.216
  184    HA   ARG  25           HA       ARG  25  -4.186  -1.942   2.404
  185   1HB   ARG  25          HB2       ARG  25  -6.646  -2.374   1.201
  186   2HB   ARG  25          HB1       ARG  25  -5.491  -2.980   0.027
  187   1HG   ARG  25          HG2       ARG  25  -5.956  -4.837   1.322
  188   2HG   ARG  25          HG1       ARG  25  -4.453  -4.232   2.019
  189   1HD   ARG  25          HD2       ARG  25  -5.486  -3.469   3.927
  190   2HD   ARG  25          HD1       ARG  25  -7.047  -3.277   3.131
  191    HE   ARG  25           HE       ARG  25  -5.919  -5.776   4.167
  192   1HH1  ARG  25          HH11      ARG  25  -8.569  -4.031   2.726
  193   2HH1  ARG  25          HH12      ARG  25  -9.729  -5.280   3.036
  194   1HH2  ARG  25          HH21      ARG  25  -7.437  -7.427   4.575
  195   2HH2  ARG  25          HH22      ARG  25  -9.085  -7.210   4.087
  196    H    CYS  26           HN       CYS  26  -2.882  -3.304   0.909
  197    HA   CYS  26           HA       CYS  26  -1.267  -1.558  -0.732
  198   1HB   CYS  26          HB2       CYS  26  -0.965  -4.189   0.525
  199   2HB   CYS  26          HB1       CYS  26  -0.232  -4.088  -1.072
  200   1HN   NH2  27          H1        CYS  26  -0.353  -2.897  -2.797
  201   2HN   NH2  27          H2        CYS  26  -1.601  -3.346  -3.903
  Start of MODEL    7
    1   1H    CYS   1           HT1      CYS   1  10.117  -3.752   3.422
    2   2H    CYS   1           HT2      CYS   1   8.994  -4.043   4.653
    3   3H    CYS   1           HT3      CYS   1   9.562  -2.473   4.381
    4    HA   CYS   1           HA       CYS   1   8.056  -2.065   2.834
    5   1HB   CYS   1          HB2       CYS   1   7.773  -3.549   0.904
    6   2HB   CYS   1          HB1       CYS   1   9.480  -3.335   1.275
    7    H    LYS   2           HN       LYS   2   5.819  -2.535   2.262
    8    HA   LYS   2           HA       LYS   2   4.464  -3.890   4.414
    9   1HB   LYS   2          HB2       LYS   2   3.117  -2.740   1.985
   10   2HB   LYS   2          HB1       LYS   2   2.490  -2.888   3.620
   11   1HG   LYS   2          HG2       LYS   2   4.855  -1.145   3.102
   12   2HG   LYS   2          HG1       LYS   2   3.234  -0.571   2.705
   13   1HD   LYS   2          HD2       LYS   2   2.521  -0.959   5.004
   14   2HD   LYS   2          HD1       LYS   2   4.124  -1.579   5.407
   15   1HE   LYS   2          HE2       LYS   2   4.937   0.732   4.520
   16   2HE   LYS   2          HE1       LYS   2   3.268   1.224   4.803
   17   1HZ   LYS   2          HZ1       LYS   2   4.804  -0.139   6.920
   18   2HZ   LYS   2          HZ2       LYS   2   3.465   0.885   7.067
   19   3HZ   LYS   2          HZ3       LYS   2   4.980   1.527   6.672
   20    H    GLY   3           HN       GLY   3   2.177  -4.847   3.114
   21   1HA   GLY   3          HA2       GLY   3   3.122  -6.883   1.236
   22   2HA   GLY   3          HA1       GLY   3   2.443  -7.440   2.757
   23    H    LYS   4           HN       LYS   4   1.479  -7.944   0.066
   24    HA   LYS   4           HA       LYS   4  -0.763  -6.338  -0.534
   25   1HB   LYS   4          HB2       LYS   4   0.433  -8.033  -2.039
   26   2HB   LYS   4          HB1       LYS   4  -0.526  -9.261  -1.225
   27   1HG   LYS   4          HG2       LYS   4  -2.568  -7.944  -1.909
   28   2HG   LYS   4          HG1       LYS   4  -1.495  -6.991  -2.935
   29   1HD   LYS   4          HD2       LYS   4  -1.279  -8.643  -4.452
   30   2HD   LYS   4          HD1       LYS   4  -1.208  -9.901  -3.216
   31   1HE   LYS   4          HE2       LYS   4  -3.196 -10.113  -4.645
   32   2HE   LYS   4          HE1       LYS   4  -3.615  -9.823  -2.956
   33   1HZ   LYS   4          HZ1       LYS   4  -3.400  -7.548  -4.807
   34   2HZ   LYS   4          HZ2       LYS   4  -4.333  -7.703  -3.404
   35   3HZ   LYS   4          HZ3       LYS   4  -4.798  -8.501  -4.821
   36    H    GLY   5           HN       GLY   5  -2.591  -6.126   0.555
   37   1HA   GLY   5          HA2       GLY   5  -4.615  -7.113   1.414
   38   2HA   GLY   5          HA1       GLY   5  -3.656  -8.468   1.995
   39    H    ALA   6           HN       ALA   6  -1.809  -5.908   2.700
   40    HA   ALA   6           HA       ALA   6  -2.938  -5.683   5.406
   41   1HB   ALA   6          HB1       ALA   6  -0.173  -5.739   4.343
   42   2HB   ALA   6          HB2       ALA   6  -0.838  -6.449   5.814
   43   3HB   ALA   6          HB3       ALA   6  -0.479  -4.724   5.753
   44    HA   PRO   7           HA       PRO   7  -4.094  -1.483   4.514
   45   1HB   PRO   7          HB2       PRO   7  -3.750  -1.103   7.436
   46   2HB   PRO   7          HB1       PRO   7  -5.162  -0.800   6.419
   47   1HG   PRO   7          HG2       PRO   7  -5.088  -2.891   8.074
   48   2HG   PRO   7          HG1       PRO   7  -5.844  -3.012   6.473
   49   1HD   PRO   7          HD2       PRO   7  -3.175  -4.001   7.391
   50   2HD   PRO   7          HD1       PRO   7  -4.345  -4.764   6.294
   51    H    CYS   8           HN       CYS   8  -2.223  -0.790   3.444
   52    HA   CYS   8           HA       CYS   8   0.127  -0.027   4.930
   53   1HB   CYS   8          HB2       CYS   8   1.004   0.703   2.766
   54   2HB   CYS   8          HB1       CYS   8   0.319  -0.914   2.644
   55    H    ARG   9           HN       ARG   9   1.059   2.228   4.460
   56    HA   ARG   9           HA       ARG   9  -0.945   4.137   5.333
   57   1HB   ARG   9          HB2       ARG   9   0.961   5.626   5.755
   58   2HB   ARG   9          HB1       ARG   9   1.183   4.062   6.524
   59   1HG   ARG   9          HG2       ARG   9   2.380   3.749   4.054
   60   2HG   ARG   9          HG1       ARG   9   2.801   5.396   4.528
   61   1HD   ARG   9          HD2       ARG   9   3.395   4.336   6.808
   62   2HD   ARG   9          HD1       ARG   9   3.415   2.816   5.917
   63    HE   ARG   9           HE       ARG   9   5.348   3.487   4.847
   64   1HH1  ARG   9          HH11      ARG   9   4.021   6.131   6.691
   65   2HH1  ARG   9          HH12      ARG   9   5.438   7.115   6.542
   66   1HH2  ARG   9          HH21      ARG   9   7.216   4.777   4.646
   67   2HH2  ARG   9          HH22      ARG   9   7.254   6.345   5.380
   68    H    LYS  10           HN       LYS  10  -1.752   5.751   4.155
   69    HA   LYS  10           HA       LYS  10  -1.366   5.771   1.328
   70   1HB   LYS  10          HB2       LYS  10  -2.985   7.404   3.253
   71   2HB   LYS  10          HB1       LYS  10  -2.823   7.925   1.582
   72   1HG   LYS  10          HG2       LYS  10  -4.377   6.491   0.931
   73   2HG   LYS  10          HG1       LYS  10  -3.509   5.144   1.670
   74   1HD   LYS  10          HD2       LYS  10  -4.980   5.038   3.338
   75   2HD   LYS  10          HD1       LYS  10  -4.765   6.753   3.696
   76   1HE   LYS  10          HE2       LYS  10  -6.956   6.823   3.125
   77   2HE   LYS  10          HE1       LYS  10  -6.276   6.968   1.504
   78   1HZ   LYS  10          HZ1       LYS  10  -6.404   4.393   1.565
   79   2HZ   LYS  10          HZ2       LYS  10  -7.798   5.291   1.236
   80   3HZ   LYS  10          HZ3       LYS  10  -7.553   4.647   2.780
   81    H    THR  11           HN       THR  11   0.956   6.438   3.076
   82    HA   THR  11           HA       THR  11   1.545   9.216   2.637
   83    HB   THR  11           HB       THR  11   3.303   6.932   3.558
   84    HG1  THR  11           HG1      THR  11   1.903   8.984   4.960
   85   1HG2  THR  11          HG21      THR  11   4.349   9.329   4.502
   86   2HG2  THR  11          HG22      THR  11   3.941   9.660   2.818
   87   3HG2  THR  11          HG23      THR  11   5.016   8.320   3.219
   88    H    MET  12           HN       MET  12   2.908   6.151   1.441
   89    HA   MET  12           HA       MET  12   3.431   7.372  -1.144
   90   1HB   MET  12          HB2       MET  12   5.812   6.600  -1.101
   91   2HB   MET  12          HB1       MET  12   5.465   7.924   0.004
   92   1HG   MET  12          HG2       MET  12   5.038   5.748   1.591
   93   2HG   MET  12          HG1       MET  12   6.352   5.196   0.554
   94   1HE   MET  12          HE1       MET  12   8.239   5.072   1.251
   95   2HE   MET  12          HE2       MET  12   8.715   5.588   2.868
   96   3HE   MET  12          HE3       MET  12   9.297   6.468   1.455
   97    H    TYR  13           HN       TYR  13   5.288   5.252  -1.883
   98    HA   TYR  13           HA       TYR  13   3.358   3.046  -2.106
   99   1HB   TYR  13          HB2       TYR  13   5.520   2.661  -3.904
  100   2HB   TYR  13          HB1       TYR  13   3.849   3.058  -4.288
  101    HD1  TYR  13           HD1      TYR  13   3.203   5.328  -4.835
  102    HD2  TYR  13           HD2      TYR  13   7.230   4.399  -3.825
  103    HE1  TYR  13           HE1      TYR  13   3.919   7.512  -5.709
  104    HE2  TYR  13           HE2      TYR  13   7.958   6.581  -4.696
  105    HH   TYR  13           HH       TYR  13   5.618   8.906  -6.018
  106    H    ASP  14           HN       ASP  14   4.164   2.576   0.153
  107    HA   ASP  14           HA       ASP  14   6.803   1.458   0.396
  108   1HB   ASP  14          HB2       ASP  14   4.787   2.367   2.171
  109   2HB   ASP  14          HB1       ASP  14   5.101   0.681   2.562
  110    H    CYS  15           HN       CYS  15   4.001   0.325  -0.956
  111    HA   CYS  15           HA       CYS  15   3.779  -2.302  -0.031
  112   1HB   CYS  15          HB2       CYS  15   3.182  -1.087  -2.729
  113   2HB   CYS  15          HB1       CYS  15   2.809  -2.761  -2.335
  114    H    CYS  16           HN       CYS  16   4.892  -4.135  -0.382
  115    HA   CYS  16           HA       CYS  16   7.495  -3.984  -1.526
  116   1HB   CYS  16          HB2       CYS  16   6.298  -5.617   0.311
  117   2HB   CYS  16          HB1       CYS  16   6.384  -6.673  -1.095
  118    H    LYS  17           HN       LYS  17   4.483  -4.374  -2.918
  119    HA   LYS  17           HA       LYS  17   5.678  -5.152  -5.441
  120   1HB   LYS  17          HB2       LYS  17   3.574  -6.801  -5.624
  121   2HB   LYS  17          HB1       LYS  17   5.150  -7.329  -5.054
  122   1HG   LYS  17          HG2       LYS  17   3.434  -6.262  -2.945
  123   2HG   LYS  17          HG1       LYS  17   2.788  -7.697  -3.744
  124   1HD   LYS  17          HD2       LYS  17   5.535  -8.168  -3.307
  125   2HD   LYS  17          HD1       LYS  17   4.885  -7.500  -1.808
  126   1HE   LYS  17          HE2       LYS  17   4.431  -9.711  -1.471
  127   2HE   LYS  17          HE1       LYS  17   2.949  -9.228  -2.293
  128   1HZ   LYS  17          HZ1       LYS  17   3.398 -10.590  -3.968
  129   2HZ   LYS  17          HZ2       LYS  17   4.663 -11.233  -3.048
  130   3HZ   LYS  17          HZ3       LYS  17   4.969  -9.987  -4.150
  131    H    GLY  18           HN       GLY  18   5.057  -2.859  -5.681
  132   1HA   GLY  18          HA2       GLY  18   3.484  -1.906  -7.346
  133   2HA   GLY  18          HA1       GLY  18   2.196  -2.611  -6.383
  134    H    ARG  19           HN       ARG  19   1.087  -0.945  -5.582
  135    HA   ARG  19           HA       ARG  19   2.479   0.905  -3.818
  136   1HB   ARG  19          HB2       ARG  19   0.753   2.641  -5.050
  137   2HB   ARG  19          HB1       ARG  19   2.477   2.530  -5.372
  138   1HG   ARG  19          HG2       ARG  19   1.909   2.208  -7.495
  139   2HG   ARG  19          HG1       ARG  19   1.420   0.585  -7.003
  140   1HD   ARG  19          HD2       ARG  19  -0.433   2.949  -6.854
  141   2HD   ARG  19          HD1       ARG  19  -0.282   1.956  -8.304
  142    HE   ARG  19           HE       ARG  19  -0.757   0.199  -6.238
  143   1HH1  ARG  19          HH11      ARG  19  -2.398   2.921  -7.668
  144   2HH1  ARG  19          HH12      ARG  19  -3.981   2.329  -7.289
  145   1HH2  ARG  19          HH21      ARG  19  -2.836  -0.586  -5.735
  146   2HH2  ARG  19          HH22      ARG  19  -4.230   0.336  -6.190
  147    H    CYS  20           HN       CYS  20   0.862   2.292  -2.603
  148    HA   CYS  20           HA       CYS  20  -0.990   0.647  -1.303
  149   1HB   CYS  20          HB2       CYS  20  -0.404   3.573  -1.287
  150   2HB   CYS  20          HB1       CYS  20  -1.899   3.019  -0.538
  151    H    GLY  21           HN       GLY  21  -3.356   1.216  -1.038
  152   1HA   GLY  21          HA2       GLY  21  -4.519   1.629  -3.720
  153   2HA   GLY  21          HA1       GLY  21  -5.219   0.596  -2.481
  154    H    ARG  22           HN       ARG  22  -7.011   2.159  -3.416
  155    HA   ARG  22           HA       ARG  22  -7.055   4.753  -2.136
  156   1HB   ARG  22          HB2       ARG  22  -8.866   3.266  -3.999
  157   2HB   ARG  22          HB1       ARG  22  -9.499   4.637  -3.098
  158   1HG   ARG  22          HG2       ARG  22  -7.300   5.782  -4.055
  159   2HG   ARG  22          HG1       ARG  22  -7.532   4.559  -5.306
  160   1HD   ARG  22          HD2       ARG  22  -9.873   6.183  -4.444
  161   2HD   ARG  22          HD1       ARG  22  -8.659   6.937  -5.478
  162    HE   ARG  22           HE       ARG  22  -9.095   5.082  -7.066
  163   1HH1  ARG  22          HH11      ARG  22 -11.494   5.913  -4.678
  164   2HH1  ARG  22          HH12      ARG  22 -12.819   5.300  -5.611
  165   1HH2  ARG  22          HH21      ARG  22 -10.835   4.276  -8.299
  166   2HH2  ARG  22          HH22      ARG  22 -12.445   4.371  -7.668
  167    H    ARG  23           HN       ARG  23  -8.023   1.563  -1.389
  168    HA   ARG  23           HA       ARG  23 -10.052   2.367   0.526
  169   1HB   ARG  23          HB2       ARG  23  -9.227  -0.110  -0.765
  170   2HB   ARG  23          HB1       ARG  23  -9.492  -0.321   0.961
  171   1HG   ARG  23          HG2       ARG  23 -11.737   0.620   0.731
  172   2HG   ARG  23          HG1       ARG  23 -11.471   0.818  -1.002
  173   1HD   ARG  23          HD2       ARG  23 -11.760  -1.379  -1.430
  174   2HD   ARG  23          HD1       ARG  23 -10.957  -1.879   0.058
  175    HE   ARG  23           HE       ARG  23 -13.661  -0.759   0.202
  176   1HH1  ARG  23          HH11      ARG  23 -11.497  -3.470   0.538
  177   2HH1  ARG  23          HH12      ARG  23 -12.648  -4.447   1.388
  178   1HH2  ARG  23          HH21      ARG  23 -15.181  -2.038   1.322
  179   2HH2  ARG  23          HH22      ARG  23 -14.741  -3.633   1.834
  180    H    GLY  24           HN       GLY  24  -6.677   1.702   0.453
  181   1HA   GLY  24          HA2       GLY  24  -5.468   2.624   2.419
  182   2HA   GLY  24          HA1       GLY  24  -6.620   1.740   3.409
  183    H    ARG  25           HN       ARG  25  -6.305  -0.382   1.110
  184    HA   ARG  25           HA       ARG  25  -4.248  -1.880   2.512
  185   1HB   ARG  25          HB2       ARG  25  -6.611  -2.611   1.355
  186   2HB   ARG  25          HB1       ARG  25  -5.456  -3.090   0.125
  187   1HG   ARG  25          HG2       ARG  25  -5.774  -4.975   1.485
  188   2HG   ARG  25          HG1       ARG  25  -4.211  -4.306   1.955
  189   1HD   ARG  25          HD2       ARG  25  -4.937  -4.283   4.056
  190   2HD   ARG  25          HD1       ARG  25  -6.076  -3.022   3.585
  191    HE   ARG  25           HE       ARG  25  -6.689  -5.904   3.648
  192   1HH1  ARG  25          HH11      ARG  25  -7.665  -2.563   3.810
  193   2HH1  ARG  25          HH12      ARG  25  -9.313  -2.929   4.196
  194   1HH2  ARG  25          HH21      ARG  25  -8.857  -6.396   4.152
  195   2HH2  ARG  25          HH22      ARG  25  -9.991  -5.109   4.389
  196    H    CYS  26           HN       CYS  26  -2.747  -3.198   1.199
  197    HA   CYS  26           HA       CYS  26  -1.206  -1.450  -0.496
  198   1HB   CYS  26          HB2       CYS  26  -0.693  -3.745   1.109
  199   2HB   CYS  26          HB1       CYS  26  -0.174  -4.111  -0.532
  200   1HN   NH2  27          H1        CYS  26  -0.079  -2.988  -2.385
  201   2HN   NH2  27          H2        CYS  26  -1.252  -3.538  -3.528
  Start of MODEL    8
    1   1H    CYS   1           HT1      CYS   1   9.637  -2.284   4.546
    2   2H    CYS   1           HT2      CYS   1  10.068  -3.766   3.853
    3   3H    CYS   1           HT3      CYS   1   8.868  -3.706   5.044
    4    HA   CYS   1           HA       CYS   1   8.117  -1.957   3.008
    5   1HB   CYS   1          HB2       CYS   1   7.963  -3.591   1.134
    6   2HB   CYS   1          HB1       CYS   1   9.622  -3.173   1.547
    7    H    LYS   2           HN       LYS   2   5.931  -2.410   2.338
    8    HA   LYS   2           HA       LYS   2   4.449  -3.799   4.385
    9   1HB   LYS   2          HB2       LYS   2   3.235  -2.594   1.913
   10   2HB   LYS   2          HB1       LYS   2   2.529  -2.767   3.513
   11   1HG   LYS   2          HG2       LYS   2   4.930  -1.107   3.465
   12   2HG   LYS   2          HG1       LYS   2   3.599  -0.476   2.492
   13   1HD   LYS   2          HD2       LYS   2   2.119  -0.852   4.507
   14   2HD   LYS   2          HD1       LYS   2   3.596  -1.147   5.426
   15   1HE   LYS   2          HE2       LYS   2   4.414   1.085   4.807
   16   2HE   LYS   2          HE1       LYS   2   2.923   1.378   3.913
   17   1HZ   LYS   2          HZ1       LYS   2   1.713   1.598   5.820
   18   2HZ   LYS   2          HZ2       LYS   2   3.198   2.201   6.358
   19   3HZ   LYS   2          HZ3       LYS   2   2.741   0.618   6.740
   20    H    GLY   3           HN       GLY   3   2.237  -4.716   2.973
   21   1HA   GLY   3          HA2       GLY   3   3.288  -6.758   1.144
   22   2HA   GLY   3          HA1       GLY   3   2.411  -7.276   2.574
   23    H    LYS   4           HN       LYS   4   1.792  -7.651  -0.273
   24    HA   LYS   4           HA       LYS   4  -0.358  -5.956  -1.007
   25   1HB   LYS   4          HB2       LYS   4   1.109  -7.853  -2.303
   26   2HB   LYS   4          HB1       LYS   4  -0.404  -8.710  -2.049
   27   1HG   LYS   4          HG2       LYS   4  -1.610  -7.251  -3.368
   28   2HG   LYS   4          HG1       LYS   4  -0.429  -5.952  -3.189
   29   1HD   LYS   4          HD2       LYS   4   1.153  -7.198  -4.576
   30   2HD   LYS   4          HD1       LYS   4  -0.018  -8.509  -4.742
   31   1HE   LYS   4          HE2       LYS   4  -0.305  -5.678  -5.739
   32   2HE   LYS   4          HE1       LYS   4  -0.082  -7.129  -6.717
   33   1HZ   LYS   4          HZ1       LYS   4  -2.282  -7.667  -5.190
   34   2HZ   LYS   4          HZ2       LYS   4  -2.286  -7.213  -6.819
   35   3HZ   LYS   4          HZ3       LYS   4  -2.479  -6.041  -5.615
   36    H    GLY   5           HN       GLY   5  -2.187  -5.790   0.093
   37   1HA   GLY   5          HA2       GLY   5  -4.336  -6.873   0.530
   38   2HA   GLY   5          HA1       GLY   5  -3.435  -8.271   1.098
   39    H    ALA   6           HN       ALA   6  -1.633  -5.918   2.258
   40    HA   ALA   6           HA       ALA   6  -3.050  -5.884   4.826
   41   1HB   ALA   6          HB1       ALA   6  -0.227  -5.944   4.025
   42   2HB   ALA   6          HB2       ALA   6  -1.012  -6.573   5.474
   43   3HB   ALA   6          HB3       ALA   6  -0.591  -4.863   5.371
   44    HA   PRO   7           HA       PRO   7  -4.027  -1.591   4.521
   45   1HB   PRO   7          HB2       PRO   7  -3.789  -0.819   7.129
   46   2HB   PRO   7          HB1       PRO   7  -5.159  -1.744   6.505
   47   1HG   PRO   7          HG2       PRO   7  -2.734  -2.707   7.973
   48   2HG   PRO   7          HG1       PRO   7  -4.430  -3.180   8.184
   49   1HD   PRO   7          HD2       PRO   7  -2.689  -4.708   6.814
   50   2HD   PRO   7          HD1       PRO   7  -4.398  -4.586   6.347
   51    H    CYS   8           HN       CYS   8  -2.221  -0.895   3.300
   52    HA   CYS   8           HA       CYS   8   0.230  -0.159   4.625
   53   1HB   CYS   8          HB2       CYS   8   0.764   0.852   2.344
   54   2HB   CYS   8          HB1       CYS   8   0.521  -0.891   2.395
   55    H    ARG   9           HN       ARG   9   1.082   2.159   3.958
   56    HA   ARG   9           HA       ARG   9  -0.821   3.995   5.166
   57   1HB   ARG   9          HB2       ARG   9   1.094   5.541   5.316
   58   2HB   ARG   9          HB1       ARG   9   1.428   3.989   6.070
   59   1HG   ARG   9          HG2       ARG   9   2.787   3.307   4.228
   60   2HG   ARG   9          HG1       ARG   9   2.314   4.729   3.292
   61   1HD   ARG   9          HD2       ARG   9   3.385   6.168   4.971
   62   2HD   ARG   9          HD1       ARG   9   3.885   4.736   5.868
   63    HE   ARG   9           HE       ARG   9   4.827   4.534   3.232
   64   1HH1  ARG   9          HH11      ARG   9   5.353   6.405   6.127
   65   2HH1  ARG   9          HH12      ARG   9   7.015   6.732   5.767
   66   1HH2  ARG   9          HH21      ARG   9   7.015   4.960   2.753
   67   2HH2  ARG   9          HH22      ARG   9   7.960   5.912   3.849
   68    H    LYS  10           HN       LYS  10  -1.787   5.642   4.167
   69    HA   LYS  10           HA       LYS  10  -1.914   5.686   1.328
   70   1HB   LYS  10          HB2       LYS  10  -2.960   7.651   3.372
   71   2HB   LYS  10          HB1       LYS  10  -3.355   7.687   1.659
   72   1HG   LYS  10          HG2       LYS  10  -4.368   5.458   1.866
   73   2HG   LYS  10          HG1       LYS  10  -4.014   5.476   3.595
   74   1HD   LYS  10          HD2       LYS  10  -6.206   6.199   3.557
   75   2HD   LYS  10          HD1       LYS  10  -5.326   7.728   3.558
   76   1HE   LYS  10          HE2       LYS  10  -5.487   7.265   0.906
   77   2HE   LYS  10          HE1       LYS  10  -6.969   6.480   1.450
   78   1HZ   LYS  10          HZ1       LYS  10  -7.485   8.724   0.956
   79   2HZ   LYS  10          HZ2       LYS  10  -6.178   9.310   1.854
   80   3HZ   LYS  10          HZ3       LYS  10  -7.491   8.592   2.643
   81    H    THR  11           HN       THR  11   0.674   6.426   2.854
   82    HA   THR  11           HA       THR  11   1.214   9.130   2.048
   83    HB   THR  11           HB       THR  11   3.133   6.990   2.988
   84    HG1  THR  11           HG1      THR  11   2.581   8.958   4.768
   85   1HG2  THR  11          HG21      THR  11   3.956   9.614   3.678
   86   2HG2  THR  11          HG22      THR  11   3.574   9.606   1.955
   87   3HG2  THR  11          HG23      THR  11   4.751   8.464   2.603
   88    H    MET  12           HN       MET  12   2.486   5.943   1.081
   89    HA   MET  12           HA       MET  12   2.638   6.757  -1.676
   90   1HB   MET  12          HB2       MET  12   5.134   6.181  -1.762
   91   2HB   MET  12          HB1       MET  12   4.690   7.747  -1.096
   92   1HG   MET  12          HG2       MET  12   5.282   7.169   1.035
   93   2HG   MET  12          HG1       MET  12   5.008   5.448   0.763
   94   1HE   MET  12          HE1       MET  12   7.119   4.126  -1.247
   95   2HE   MET  12          HE2       MET  12   6.471   3.876   0.374
   96   3HE   MET  12          HE3       MET  12   8.213   3.983   0.128
   97    H    TYR  13           HN       TYR  13   4.569   4.811  -2.443
   98    HA   TYR  13           HA       TYR  13   2.989   2.385  -1.994
   99   1HB   TYR  13          HB2       TYR  13   4.866   1.777  -3.941
  100   2HB   TYR  13          HB1       TYR  13   3.192   2.240  -4.226
  101    HD1  TYR  13           HD1      TYR  13   6.678   3.329  -4.348
  102    HD2  TYR  13           HD2      TYR  13   2.633   4.504  -4.954
  103    HE1  TYR  13           HE1      TYR  13   7.444   5.306  -5.591
  104    HE2  TYR  13           HE2      TYR  13   3.390   6.484  -6.199
  105    HH   TYR  13           HH       TYR  13   5.429   7.901  -6.344
  106    H    ASP  14           HN       ASP  14   3.988   2.266   0.175
  107    HA   ASP  14           HA       ASP  14   6.784   1.620   0.351
  108   1HB   ASP  14          HB2       ASP  14   4.898   2.556   2.134
  109   2HB   ASP  14          HB1       ASP  14   5.133   0.890   2.654
  110    H    CYS  15           HN       CYS  15   4.087  -0.099  -0.596
  111    HA   CYS  15           HA       CYS  15   4.453  -2.599   0.608
  112   1HB   CYS  15          HB2       CYS  15   2.747  -1.531  -1.331
  113   2HB   CYS  15          HB1       CYS  15   3.593  -2.841  -2.151
  114    H    CYS  16           HN       CYS  16   5.572  -4.441   0.006
  115    HA   CYS  16           HA       CYS  16   8.120  -4.025  -1.145
  116   1HB   CYS  16          HB2       CYS  16   6.873  -6.001   0.394
  117   2HB   CYS  16          HB1       CYS  16   7.330  -6.809  -1.100
  118    H    LYS  17           HN       LYS  17   5.086  -4.614  -2.529
  119    HA   LYS  17           HA       LYS  17   6.215  -4.716  -5.166
  120   1HB   LYS  17          HB2       LYS  17   4.828  -6.838  -5.703
  121   2HB   LYS  17          HB1       LYS  17   6.398  -7.023  -4.933
  122   1HG   LYS  17          HG2       LYS  17   4.305  -6.750  -2.968
  123   2HG   LYS  17          HG1       LYS  17   3.974  -8.078  -4.083
  124   1HD   LYS  17          HD2       LYS  17   6.664  -8.356  -3.527
  125   2HD   LYS  17          HD1       LYS  17   5.974  -7.860  -1.981
  126   1HE   LYS  17          HE2       LYS  17   4.195  -9.748  -3.009
  127   2HE   LYS  17          HE1       LYS  17   5.800 -10.396  -3.345
  128   1HZ   LYS  17          HZ1       LYS  17   6.312 -10.521  -1.124
  129   2HZ   LYS  17          HZ2       LYS  17   4.660 -10.882  -1.088
  130   3HZ   LYS  17          HZ3       LYS  17   5.195  -9.333  -0.671
  131    H    GLY  18           HN       GLY  18   5.038  -2.864  -5.569
  132   1HA   GLY  18          HA2       GLY  18   2.966  -2.419  -6.882
  133   2HA   GLY  18          HA1       GLY  18   2.102  -3.201  -5.568
  134    H    ARG  19           HN       ARG  19   0.878  -1.153  -5.603
  135    HA   ARG  19           HA       ARG  19   2.214   0.853  -3.912
  136   1HB   ARG  19          HB2       ARG  19   0.122   1.568  -5.959
  137   2HB   ARG  19          HB1       ARG  19   1.205   2.644  -5.087
  138   1HG   ARG  19          HG2       ARG  19   2.910   2.313  -6.521
  139   2HG   ARG  19          HG1       ARG  19   2.501   0.616  -6.785
  140   1HD   ARG  19          HD2       ARG  19   0.383   2.115  -7.861
  141   2HD   ARG  19          HD1       ARG  19   1.865   2.913  -8.386
  142    HE   ARG  19           HE       ARG  19   0.905   0.316  -9.189
  143   1HH1  ARG  19          HH11      ARG  19   3.673   2.419  -8.931
  144   2HH1  ARG  19          HH12      ARG  19   4.571   1.599 -10.164
  145   1HH2  ARG  19          HH21      ARG  19   2.080  -0.768 -10.814
  146   2HH2  ARG  19          HH22      ARG  19   3.667  -0.213 -11.234
  147    H    CYS  20           HN       CYS  20   0.732   2.140  -2.593
  148    HA   CYS  20           HA       CYS  20  -1.109   0.533  -1.196
  149   1HB   CYS  20          HB2       CYS  20   0.210   2.772  -0.566
  150   2HB   CYS  20          HB1       CYS  20  -1.331   3.497  -1.010
  151    H    GLY  21           HN       GLY  21  -3.422   1.369  -0.750
  152   1HA   GLY  21          HA2       GLY  21  -4.695   1.844  -3.371
  153   2HA   GLY  21          HA1       GLY  21  -5.423   0.921  -2.065
  154    H    ARG  22           HN       ARG  22  -7.016   2.740  -3.071
  155    HA   ARG  22           HA       ARG  22  -6.731   5.312  -1.811
  156   1HB   ARG  22          HB2       ARG  22  -8.904   5.816  -2.805
  157   2HB   ARG  22          HB1       ARG  22  -7.826   5.100  -3.995
  158   1HG   ARG  22          HG2       ARG  22  -9.109   3.271  -4.255
  159   2HG   ARG  22          HG1       ARG  22  -9.559   3.210  -2.550
  160   1HD   ARG  22          HD2       ARG  22 -10.644   5.206  -4.531
  161   2HD   ARG  22          HD1       ARG  22 -11.457   3.708  -4.082
  162    HE   ARG  22           HE       ARG  22 -11.054   6.050  -2.368
  163   1HH1  ARG  22          HH11      ARG  22 -12.423   2.886  -2.876
  164   2HH1  ARG  22          HH12      ARG  22 -13.498   2.993  -1.523
  165   1HH2  ARG  22          HH21      ARG  22 -12.468   6.199  -0.584
  166   2HH2  ARG  22          HH22      ARG  22 -13.522   4.875  -0.220
  167    H    ARG  23           HN       ARG  23  -7.985   2.275  -0.910
  168    HA   ARG  23           HA       ARG  23  -9.808   3.374   1.076
  169   1HB   ARG  23          HB2       ARG  23 -10.310   1.293  -0.292
  170   2HB   ARG  23          HB1       ARG  23  -9.086   0.473   0.670
  171   1HG   ARG  23          HG2       ARG  23 -11.100  -0.070   1.705
  172   2HG   ARG  23          HG1       ARG  23 -10.436   1.226   2.703
  173   1HD   ARG  23          HD2       ARG  23 -12.113   2.181   0.514
  174   2HD   ARG  23          HD1       ARG  23 -12.971   1.145   1.655
  175    HE   ARG  23           HE       ARG  23 -11.415   3.144   2.972
  176   1HH1  ARG  23          HH11      ARG  23 -14.426   2.567   1.315
  177   2HH1  ARG  23          HH12      ARG  23 -15.262   3.856   2.116
  178   1HH2  ARG  23          HH21      ARG  23 -12.507   4.845   4.028
  179   2HH2  ARG  23          HH22      ARG  23 -14.172   5.150   3.656
  180    H    GLY  24           HN       GLY  24  -6.684   1.781   0.875
  181   1HA   GLY  24          HA2       GLY  24  -5.257   2.733   2.816
  182   2HA   GLY  24          HA1       GLY  24  -6.436   1.884   3.802
  183    H    ARG  25           HN       ARG  25  -6.429  -0.130   1.404
  184    HA   ARG  25           HA       ARG  25  -4.346  -1.807   2.569
  185   1HB   ARG  25          HB2       ARG  25  -6.886  -2.365   1.740
  186   2HB   ARG  25          HB1       ARG  25  -5.941  -2.912   0.368
  187   1HG   ARG  25          HG2       ARG  25  -5.832  -4.825   1.527
  188   2HG   ARG  25          HG1       ARG  25  -4.536  -4.000   2.396
  189   1HD   ARG  25          HD2       ARG  25  -6.189  -5.071   3.896
  190   2HD   ARG  25          HD1       ARG  25  -6.061  -3.329   4.133
  191    HE   ARG  25           HE       ARG  25  -8.180  -4.302   2.381
  192   1HH1  ARG  25          HH11      ARG  25  -7.227  -3.021   5.480
  193   2HH1  ARG  25          HH12      ARG  25  -8.835  -2.552   5.923
  194   1HH2  ARG  25          HH21      ARG  25 -10.297  -3.688   2.958
  195   2HH2  ARG  25          HH22      ARG  25 -10.579  -2.932   4.490
  196    H    CYS  26           HN       CYS  26  -3.116  -3.202   1.083
  197    HA   CYS  26           HA       CYS  26  -1.855  -1.536  -0.948
  198   1HB   CYS  26          HB2       CYS  26  -0.371  -2.626   0.624
  199   2HB   CYS  26          HB1       CYS  26  -1.058  -4.200   0.238
  200   1HN   NH2  27          H1        CYS  26  -1.288  -2.437  -3.048
  201   2HN   NH2  27          H2        CYS  26  -2.359  -3.553  -3.816
  Start of MODEL    9
    1   1H    CYS   1           HT1      CYS   1   9.673  -4.187   3.336
    2   2H    CYS   1           HT2      CYS   1   8.589  -4.846   4.454
    3   3H    CYS   1           HT3      CYS   1   9.375  -3.387   4.796
    4    HA   CYS   1           HA       CYS   1   7.780  -2.226   3.845
    5   1HB   CYS   1          HB2       CYS   1   7.175  -3.005   1.377
    6   2HB   CYS   1          HB1       CYS   1   8.680  -2.170   1.737
    7    H    LYS   2           HN       LYS   2   5.551  -2.451   2.645
    8    HA   LYS   2           HA       LYS   2   3.997  -4.274   4.243
    9   1HB   LYS   2          HB2       LYS   2   3.202  -2.277   2.114
   10   2HB   LYS   2          HB1       LYS   2   2.060  -3.206   3.073
   11   1HG   LYS   2          HG2       LYS   2   2.075  -1.459   4.455
   12   2HG   LYS   2          HG1       LYS   2   3.639  -2.072   4.995
   13   1HD   LYS   2          HD2       LYS   2   4.824  -0.533   3.743
   14   2HD   LYS   2          HD1       LYS   2   3.493  -0.274   2.613
   15   1HE   LYS   2          HE2       LYS   2   3.743   1.680   3.998
   16   2HE   LYS   2          HE1       LYS   2   2.237   0.862   4.416
   17   1HZ   LYS   2          HZ1       LYS   2   2.924   0.622   6.493
   18   2HZ   LYS   2          HZ2       LYS   2   4.270   1.580   6.133
   19   3HZ   LYS   2          HZ3       LYS   2   4.375  -0.103   6.009
   20    H    GLY   3           HN       GLY   3   1.887  -4.880   2.482
   21   1HA   GLY   3          HA2       GLY   3   3.014  -6.313   0.225
   22   2HA   GLY   3          HA1       GLY   3   2.423  -7.332   1.527
   23    H    LYS   4           HN       LYS   4   1.406  -7.430  -1.065
   24    HA   LYS   4           HA       LYS   4  -0.858  -5.881  -1.556
   25   1HB   LYS   4          HB2       LYS   4   0.107  -7.303  -3.264
   26   2HB   LYS   4          HB1       LYS   4  -0.267  -8.743  -2.326
   27   1HG   LYS   4          HG2       LYS   4  -2.674  -8.223  -2.571
   28   2HG   LYS   4          HG1       LYS   4  -2.238  -6.868  -3.616
   29   1HD   LYS   4          HD2       LYS   4  -1.921  -8.211  -5.374
   30   2HD   LYS   4          HD1       LYS   4  -0.950  -9.341  -4.428
   31   1HE   LYS   4          HE2       LYS   4  -2.778 -10.614  -3.825
   32   2HE   LYS   4          HE1       LYS   4  -3.912  -9.285  -4.061
   33   1HZ   LYS   4          HZ1       LYS   4  -4.370 -10.416  -5.936
   34   2HZ   LYS   4          HZ2       LYS   4  -2.871 -11.197  -5.983
   35   3HZ   LYS   4          HZ3       LYS   4  -3.013  -9.606  -6.540
   36    H    GLY   5           HN       GLY   5  -2.414  -5.572  -0.083
   37   1HA   GLY   5          HA2       GLY   5  -4.522  -6.456   0.723
   38   2HA   GLY   5          HA1       GLY   5  -3.700  -7.976   1.043
   39    H    ALA   6           HN       ALA   6  -1.788  -5.343   1.899
   40    HA   ALA   6           HA       ALA   6  -2.508  -5.712   4.727
   41   1HB   ALA   6          HB1       ALA   6  -0.280  -5.255   5.312
   42   2HB   ALA   6          HB2       ALA   6   0.082  -4.562   3.732
   43   3HB   ALA   6          HB3       ALA   6  -0.173  -6.299   3.895
   44    HA   PRO   7           HA       PRO   7  -3.865  -1.511   4.952
   45   1HB   PRO   7          HB2       PRO   7  -3.449  -0.989   7.579
   46   2HB   PRO   7          HB1       PRO   7  -4.748  -2.044   7.010
   47   1HG   PRO   7          HG2       PRO   7  -2.059  -2.775   8.109
   48   2HG   PRO   7          HG1       PRO   7  -3.641  -3.497   8.455
   49   1HD   PRO   7          HD2       PRO   7  -1.872  -4.619   6.739
   50   2HD   PRO   7          HD1       PRO   7  -3.629  -4.760   6.526
   51    H    CYS   8           HN       CYS   8  -2.040  -0.820   3.589
   52    HA   CYS   8           HA       CYS   8   0.323   0.199   4.910
   53   1HB   CYS   8          HB2       CYS   8   0.876   1.034   2.591
   54   2HB   CYS   8          HB1       CYS   8   0.671  -0.709   2.730
   55    H    ARG   9           HN       ARG   9   1.018   2.489   4.388
   56    HA   ARG   9           HA       ARG   9  -1.112   4.248   5.246
   57   1HB   ARG   9          HB2       ARG   9   0.638   5.917   5.534
   58   2HB   ARG   9          HB1       ARG   9   1.115   4.401   6.284
   59   1HG   ARG   9          HG2       ARG   9   2.059   4.411   3.601
   60   2HG   ARG   9          HG1       ARG   9   2.515   5.933   4.370
   61   1HD   ARG   9          HD2       ARG   9   3.383   4.575   6.300
   62   2HD   ARG   9          HD1       ARG   9   3.126   3.139   5.311
   63    HE   ARG   9           HE       ARG   9   4.952   3.718   4.025
   64   1HH1  ARG   9          HH11      ARG   9   4.141   6.326   6.191
   65   2HH1  ARG   9          HH12      ARG   9   5.603   7.203   5.888
   66   1HH2  ARG   9          HH21      ARG   9   6.880   4.869   3.621
   67   2HH2  ARG   9          HH22      ARG   9   7.159   6.376   4.426
   68    H    LYS  10           HN       LYS  10  -2.056   5.818   4.078
   69    HA   LYS  10           HA       LYS  10  -1.884   5.670   1.222
   70   1HB   LYS  10          HB2       LYS  10  -3.422   7.494   3.072
   71   2HB   LYS  10          HB1       LYS  10  -3.551   7.563   1.321
   72   1HG   LYS  10          HG2       LYS  10  -5.051   5.938   1.334
   73   2HG   LYS  10          HG1       LYS  10  -3.925   4.865   2.170
   74   1HD   LYS  10          HD2       LYS  10  -5.478   4.923   3.805
   75   2HD   LYS  10          HD1       LYS  10  -4.706   6.456   4.213
   76   1HE   LYS  10          HE2       LYS  10  -6.941   6.355   2.223
   77   2HE   LYS  10          HE1       LYS  10  -7.282   6.362   3.953
   78   1HZ   LYS  10          HZ1       LYS  10  -6.783   8.547   2.350
   79   2HZ   LYS  10          HZ2       LYS  10  -5.392   8.370   3.295
   80   3HZ   LYS  10          HZ3       LYS  10  -6.902   8.530   4.038
   81    H    THR  11           HN       THR  11   0.579   6.436   2.415
   82    HA   THR  11           HA       THR  11   0.888   9.273   1.810
   83    HB   THR  11           HB       THR  11   2.782   7.250   3.017
   84    HG1  THR  11           HG1      THR  11   2.500   8.773   4.835
   85   1HG2  THR  11          HG21      THR  11   4.504   8.632   2.721
   86   2HG2  THR  11          HG22      THR  11   3.579  10.010   3.316
   87   3HG2  THR  11          HG23      THR  11   3.488   9.556   1.615
   88    H    MET  12           HN       MET  12   2.772   6.328   1.105
   89    HA   MET  12           HA       MET  12   3.050   7.215  -1.676
   90   1HB   MET  12          HB2       MET  12   5.483   6.586  -1.569
   91   2HB   MET  12          HB1       MET  12   5.053   8.033  -0.668
   92   1HG   MET  12          HG2       MET  12   5.826   7.167   1.216
   93   2HG   MET  12          HG1       MET  12   4.843   5.716   1.016
   94   1HE   MET  12          HE1       MET  12   9.198   6.194   0.859
   95   2HE   MET  12          HE2       MET  12   7.951   7.420   1.087
   96   3HE   MET  12          HE3       MET  12   8.578   7.089  -0.528
   97    H    TYR  13           HN       TYR  13   5.075   5.139  -2.144
   98    HA   TYR  13           HA       TYR  13   3.291   2.800  -2.106
   99   1HB   TYR  13          HB2       TYR  13   5.611   2.692  -3.906
  100   2HB   TYR  13          HB1       TYR  13   3.922   2.309  -4.221
  101    HD1  TYR  13           HD1      TYR  13   2.412   3.978  -5.100
  102    HD2  TYR  13           HD2      TYR  13   6.461   4.960  -4.235
  103    HE1  TYR  13           HE1      TYR  13   2.175   6.064  -6.382
  104    HE2  TYR  13           HE2      TYR  13   6.233   7.049  -5.513
  105    HH   TYR  13           HH       TYR  13   4.351   8.589  -6.203
  106    H    ASP  14           HN       ASP  14   4.212   2.677   0.179
  107    HA   ASP  14           HA       ASP  14   6.918   1.703   0.399
  108   1HB   ASP  14          HB2       ASP  14   4.984   2.804   2.162
  109   2HB   ASP  14          HB1       ASP  14   5.400   1.207   2.770
  110    H    CYS  15           HN       CYS  15   4.595   0.257  -1.053
  111    HA   CYS  15           HA       CYS  15   4.257  -2.203   0.370
  112   1HB   CYS  15          HB2       CYS  15   3.693  -1.415  -2.494
  113   2HB   CYS  15          HB1       CYS  15   3.307  -3.000  -1.832
  114    H    CYS  16           HN       CYS  16   5.153  -4.231  -0.117
  115    HA   CYS  16           HA       CYS  16   7.898  -4.205  -0.811
  116   1HB   CYS  16          HB2       CYS  16   5.892  -6.304  -0.138
  117   2HB   CYS  16          HB1       CYS  16   7.384  -6.814  -0.917
  118    H    LYS  17           HN       LYS  17   5.013  -5.382  -2.520
  119    HA   LYS  17           HA       LYS  17   6.496  -5.142  -5.037
  120   1HB   LYS  17          HB2       LYS  17   5.350  -7.290  -5.790
  121   2HB   LYS  17          HB1       LYS  17   6.686  -7.460  -4.660
  122   1HG   LYS  17          HG2       LYS  17   4.038  -7.220  -3.418
  123   2HG   LYS  17          HG1       LYS  17   4.285  -8.671  -4.392
  124   1HD   LYS  17          HD2       LYS  17   6.404  -7.868  -2.456
  125   2HD   LYS  17          HD1       LYS  17   4.929  -8.612  -1.835
  126   1HE   LYS  17          HE2       LYS  17   5.333 -10.424  -3.604
  127   2HE   LYS  17          HE1       LYS  17   6.960  -9.756  -3.728
  128   1HZ   LYS  17          HZ1       LYS  17   7.496 -11.010  -1.999
  129   2HZ   LYS  17          HZ2       LYS  17   5.893 -11.490  -1.761
  130   3HZ   LYS  17          HZ3       LYS  17   6.469 -10.079  -1.030
  131    H    GLY  18           HN       GLY  18   4.977  -3.146  -4.565
  132   1HA   GLY  18          HA2       GLY  18   3.110  -2.943  -6.545
  133   2HA   GLY  18          HA1       GLY  18   2.195  -3.542  -5.171
  134    H    ARG  19           HN       ARG  19   0.952  -1.680  -4.988
  135    HA   ARG  19           HA       ARG  19   2.323   0.536  -3.672
  136   1HB   ARG  19          HB2       ARG  19   1.045   2.195  -5.009
  137   2HB   ARG  19          HB1       ARG  19   2.215   1.289  -5.959
  138   1HG   ARG  19          HG2       ARG  19   0.575   0.083  -7.068
  139   2HG   ARG  19          HG1       ARG  19  -0.641   0.413  -5.830
  140   1HD   ARG  19          HD2       ARG  19   0.452   2.794  -7.157
  141   2HD   ARG  19          HD1       ARG  19  -0.459   1.712  -8.211
  142    HE   ARG  19           HE       ARG  19  -1.778   2.349  -5.728
  143   1HH1  ARG  19          HH11      ARG  19  -1.268   3.287  -9.045
  144   2HH1  ARG  19          HH12      ARG  19  -2.752   4.172  -9.156
  145   1HH2  ARG  19          HH21      ARG  19  -3.731   3.512  -5.865
  146   2HH2  ARG  19          HH22      ARG  19  -4.152   4.303  -7.347
  147    H    CYS  20           HN       CYS  20   0.912   1.887  -2.413
  148    HA   CYS  20           HA       CYS  20  -1.013   0.454  -0.966
  149   1HB   CYS  20          HB2       CYS  20   0.368   2.688  -0.471
  150   2HB   CYS  20          HB1       CYS  20  -1.151   3.425  -0.966
  151    H    GLY  21           HN       GLY  21  -3.304   0.996  -0.683
  152   1HA   GLY  21          HA2       GLY  21  -4.537   1.578  -3.296
  153   2HA   GLY  21          HA1       GLY  21  -5.268   0.609  -2.027
  154    H    ARG  22           HN       ARG  22  -6.925   2.364  -2.967
  155    HA   ARG  22           HA       ARG  22  -6.738   4.971  -1.818
  156   1HB   ARG  22          HB2       ARG  22  -9.176   3.538  -2.886
  157   2HB   ARG  22          HB1       ARG  22  -9.034   5.265  -2.592
  158   1HG   ARG  22          HG2       ARG  22  -8.054   5.621  -4.557
  159   2HG   ARG  22          HG1       ARG  22  -6.947   4.264  -4.345
  160   1HD   ARG  22          HD2       ARG  22  -8.629   4.179  -6.291
  161   2HD   ARG  22          HD1       ARG  22  -8.436   2.743  -5.287
  162    HE   ARG  22           HE       ARG  22 -10.550   3.127  -4.361
  163   1HH1  ARG  22          HH11      ARG  22  -9.688   5.575  -6.690
  164   2HH1  ARG  22          HH12      ARG  22 -11.305   6.177  -6.845
  165   1HH2  ARG  22          HH21      ARG  22 -12.678   3.913  -4.561
  166   2HH2  ARG  22          HH22      ARG  22 -13.003   5.231  -5.635
  167    H    ARG  23           HN       ARG  23  -8.113   1.918  -0.828
  168    HA   ARG  23           HA       ARG  23  -9.501   3.092   1.434
  169   1HB   ARG  23          HB2       ARG  23  -9.968   0.861  -0.073
  170   2HB   ARG  23          HB1       ARG  23  -9.193   0.167   1.345
  171   1HG   ARG  23          HG2       ARG  23 -11.121   0.272   2.421
  172   2HG   ARG  23          HG1       ARG  23 -11.091   2.031   2.278
  173   1HD   ARG  23          HD2       ARG  23 -11.899   0.769  -0.197
  174   2HD   ARG  23          HD1       ARG  23 -12.940   0.291   1.144
  175    HE   ARG  23           HE       ARG  23 -12.401   3.126   0.564
  176   1HH1  ARG  23          HH11      ARG  23 -14.611   0.481   1.075
  177   2HH1  ARG  23          HH12      ARG  23 -16.020   1.487   1.070
  178   1HH2  ARG  23          HH21      ARG  23 -14.250   4.460   0.556
  179   2HH2  ARG  23          HH22      ARG  23 -15.815   3.751   0.775
  180    H    GLY  24           HN       GLY  24  -6.407   2.799   0.935
  181   1HA   GLY  24          HA2       GLY  24  -4.667   2.915   2.469
  182   2HA   GLY  24          HA1       GLY  24  -5.791   2.452   3.737
  183    H    ARG  25           HN       ARG  25  -6.101   0.340   1.180
  184    HA   ARG  25           HA       ARG  25  -4.311  -1.592   2.492
  185   1HB   ARG  25          HB2       ARG  25  -6.967  -1.903   1.133
  186   2HB   ARG  25          HB1       ARG  25  -5.869  -3.272   1.252
  187   1HG   ARG  25          HG2       ARG  25  -6.660  -1.690   3.669
  188   2HG   ARG  25          HG1       ARG  25  -7.659  -3.008   3.053
  189   1HD   ARG  25          HD2       ARG  25  -5.308  -4.263   3.090
  190   2HD   ARG  25          HD1       ARG  25  -4.997  -3.081   4.362
  191    HE   ARG  25           HE       ARG  25  -6.720  -5.362   4.510
  192   1HH1  ARG  25          HH11      ARG  25  -6.173  -2.145   5.733
  193   2HH1  ARG  25          HH12      ARG  25  -6.999  -2.434   7.228
  194   1HH2  ARG  25          HH21      ARG  25  -7.808  -5.752   6.475
  195   2HH2  ARG  25          HH22      ARG  25  -7.927  -4.485   7.650
  196    H    CYS  26           HN       CYS  26  -2.633  -2.315   1.387
  197    HA   CYS  26           HA       CYS  26  -2.020  -1.407  -1.212
  198   1HB   CYS  26          HB2       CYS  26  -0.360  -2.048   0.559
  199   2HB   CYS  26          HB1       CYS  26  -0.756  -3.735   0.241
  200   1HN   NH2  27          H1        CYS  26  -1.331  -2.975  -2.974
  201   2HN   NH2  27          H2        CYS  26  -2.423  -4.256  -3.353
  Start of MODEL   10
    1   1H    CYS   1           HT1      CYS   1   9.486  -4.803   3.084
    2   2H    CYS   1           HT2      CYS   1   9.357  -3.838   4.466
    3   3H    CYS   1           HT3      CYS   1  10.297  -3.320   3.158
    4    HA   CYS   1           HA       CYS   1   8.270  -2.102   3.118
    5   1HB   CYS   1          HB2       CYS   1   7.305  -3.246   0.921
    6   2HB   CYS   1          HB1       CYS   1   8.858  -2.420   0.926
    7    H    LYS   2           HN       LYS   2   5.894  -2.510   2.210
    8    HA   LYS   2           HA       LYS   2   4.533  -3.888   4.334
    9   1HB   LYS   2          HB2       LYS   2   3.151  -2.747   1.929
   10   2HB   LYS   2          HB1       LYS   2   2.588  -2.830   3.592
   11   1HG   LYS   2          HG2       LYS   2   4.979  -1.172   2.997
   12   2HG   LYS   2          HG1       LYS   2   3.390  -0.568   2.520
   13   1HD   LYS   2          HD2       LYS   2   2.792  -1.305   4.998
   14   2HD   LYS   2          HD1       LYS   2   4.520  -1.032   5.227
   15   1HE   LYS   2          HE2       LYS   2   4.363   1.227   4.724
   16   2HE   LYS   2          HE1       LYS   2   2.855   1.025   3.834
   17   1HZ   LYS   2          HZ1       LYS   2   1.952   0.338   6.152
   18   2HZ   LYS   2          HZ2       LYS   2   2.135   1.977   5.775
   19   3HZ   LYS   2          HZ3       LYS   2   3.289   1.197   6.735
   20    H    GLY   3           HN       GLY   3   2.225  -4.778   2.991
   21   1HA   GLY   3          HA2       GLY   3   3.153  -6.823   1.119
   22   2HA   GLY   3          HA1       GLY   3   2.458  -7.376   2.634
   23    H    LYS   4           HN       LYS   4   1.450  -7.981   0.053
   24    HA   LYS   4           HA       LYS   4  -0.711  -6.333  -0.693
   25   1HB   LYS   4          HB2       LYS   4   0.485  -8.438  -1.845
   26   2HB   LYS   4          HB1       LYS   4  -0.911  -9.260  -1.160
   27   1HG   LYS   4          HG2       LYS   4  -1.405  -6.764  -2.677
   28   2HG   LYS   4          HG1       LYS   4  -0.934  -8.200  -3.588
   29   1HD   LYS   4          HD2       LYS   4  -3.098  -8.381  -1.533
   30   2HD   LYS   4          HD1       LYS   4  -3.455  -7.720  -3.129
   31   1HE   LYS   4          HE2       LYS   4  -2.998  -9.723  -4.203
   32   2HE   LYS   4          HE1       LYS   4  -2.016 -10.328  -2.869
   33   1HZ   LYS   4          HZ1       LYS   4  -4.002 -10.616  -1.554
   34   2HZ   LYS   4          HZ2       LYS   4  -4.173 -11.443  -3.019
   35   3HZ   LYS   4          HZ3       LYS   4  -4.963  -9.966  -2.786
   36    H    GLY   5           HN       GLY   5  -2.790  -6.218  -0.031
   37   1HA   GLY   5          HA2       GLY   5  -4.751  -6.823   1.067
   38   2HA   GLY   5          HA1       GLY   5  -3.950  -8.279   1.641
   39    H    ALA   6           HN       ALA   6  -1.792  -6.023   2.372
   40    HA   ALA   6           HA       ALA   6  -2.797  -5.751   5.105
   41   1HB   ALA   6          HB1       ALA   6  -0.046  -5.369   3.936
   42   2HB   ALA   6          HB2       ALA   6  -0.605  -6.703   4.945
   43   3HB   ALA   6          HB3       ALA   6  -0.453  -5.085   5.628
   44    HA   PRO   7           HA       PRO   7  -3.976  -1.522   4.337
   45   1HB   PRO   7          HB2       PRO   7  -3.669  -1.258   7.273
   46   2HB   PRO   7          HB1       PRO   7  -5.073  -0.928   6.253
   47   1HG   PRO   7          HG2       PRO   7  -4.997  -3.078   7.831
   48   2HG   PRO   7          HG1       PRO   7  -5.738  -3.146   6.220
   49   1HD   PRO   7          HD2       PRO   7  -3.063  -4.139   7.121
   50   2HD   PRO   7          HD1       PRO   7  -4.222  -4.882   5.998
   51    H    CYS   8           HN       CYS   8  -2.153  -0.693   3.330
   52    HA   CYS   8           HA       CYS   8   0.204  -0.017   4.861
   53   1HB   CYS   8          HB2       CYS   8   0.986   0.972   2.696
   54   2HB   CYS   8          HB1       CYS   8   0.553  -0.731   2.591
   55    H    ARG   9           HN       ARG   9   1.093   2.308   4.411
   56    HA   ARG   9           HA       ARG   9  -0.948   4.112   5.436
   57   1HB   ARG   9          HB2       ARG   9   0.998   5.655   5.802
   58   2HB   ARG   9          HB1       ARG   9   1.086   4.134   6.681
   59   1HG   ARG   9          HG2       ARG   9   2.662   3.257   5.073
   60   2HG   ARG   9          HG1       ARG   9   2.516   4.720   4.096
   61   1HD   ARG   9          HD2       ARG   9   3.331   6.014   6.081
   62   2HD   ARG   9          HD1       ARG   9   3.658   4.474   6.873
   63    HE   ARG   9           HE       ARG   9   4.988   4.267   4.523
   64   1HH1  ARG   9          HH11      ARG   9   4.953   6.651   7.064
   65   2HH1  ARG   9          HH12      ARG   9   6.601   7.125   6.818
   66   1HH2  ARG   9          HH21      ARG   9   7.156   4.887   4.192
   67   2HH2  ARG   9          HH22      ARG   9   7.852   6.124   5.184
   68    H    LYS  10           HN       LYS  10  -1.797   5.758   4.348
   69    HA   LYS  10           HA       LYS  10  -1.376   5.959   1.525
   70   1HB   LYS  10          HB2       LYS  10  -3.004   7.650   3.433
   71   2HB   LYS  10          HB1       LYS  10  -3.017   7.842   1.685
   72   1HG   LYS  10          HG2       LYS  10  -3.846   5.536   1.460
   73   2HG   LYS  10          HG1       LYS  10  -3.889   5.403   3.220
   74   1HD   LYS  10          HD2       LYS  10  -5.425   7.398   3.222
   75   2HD   LYS  10          HD1       LYS  10  -5.513   7.237   1.467
   76   1HE   LYS  10          HE2       LYS  10  -7.259   5.892   1.880
   77   2HE   LYS  10          HE1       LYS  10  -6.034   4.690   2.282
   78   1HZ   LYS  10          HZ1       LYS  10  -6.997   4.601   4.266
   79   2HZ   LYS  10          HZ2       LYS  10  -7.925   5.987   3.984
   80   3HZ   LYS  10          HZ3       LYS  10  -6.349   6.132   4.578
   81    H    THR  11           HN       THR  11   0.993   6.367   1.952
   82    HA   THR  11           HA       THR  11   1.490   9.267   2.066
   83    HB   THR  11           HB       THR  11   3.198   7.053   3.221
   84    HG1  THR  11           HG1      THR  11   1.550   7.660   4.625
   85   1HG2  THR  11          HG21      THR  11   3.813   9.989   3.382
   86   2HG2  THR  11          HG22      THR  11   4.419   8.988   2.063
   87   3HG2  THR  11          HG23      THR  11   4.866   8.616   3.728
   88    H    MET  12           HN       MET  12   2.711   6.117   1.001
   89    HA   MET  12           HA       MET  12   3.383   7.161  -1.593
   90   1HB   MET  12          HB2       MET  12   5.783   6.478  -1.438
   91   2HB   MET  12          HB1       MET  12   5.372   7.867  -0.440
   92   1HG   MET  12          HG2       MET  12   6.201   6.835   1.326
   93   2HG   MET  12          HG1       MET  12   4.999   5.555   1.144
   94   1HE   MET  12          HE1       MET  12   8.041   7.031  -0.373
   95   2HE   MET  12          HE2       MET  12   8.187   5.854  -1.678
   96   3HE   MET  12          HE3       MET  12   9.271   5.770  -0.290
   97    H    TYR  13           HN       TYR  13   5.338   5.019  -2.049
   98    HA   TYR  13           HA       TYR  13   3.467   2.748  -2.111
   99   1HB   TYR  13          HB2       TYR  13   5.291   2.035  -3.949
  100   2HB   TYR  13          HB1       TYR  13   3.882   3.016  -4.337
  101    HD1  TYR  13           HD1      TYR  13   7.289   3.662  -2.916
  102    HD2  TYR  13           HD2      TYR  13   4.338   4.739  -5.783
  103    HE1  TYR  13           HE1      TYR  13   8.767   5.436  -3.761
  104    HE2  TYR  13           HE2      TYR  13   5.807   6.517  -6.636
  105    HH   TYR  13           HH       TYR  13   8.135   7.121  -6.682
  106    H    ASP  14           HN       ASP  14   4.311   2.507   0.171
  107    HA   ASP  14           HA       ASP  14   6.990   1.505   0.477
  108   1HB   ASP  14          HB2       ASP  14   4.967   2.499   2.191
  109   2HB   ASP  14          HB1       ASP  14   5.309   0.853   2.712
  110    H    CYS  15           HN       CYS  15   4.190   0.184  -0.714
  111    HA   CYS  15           HA       CYS  15   4.081  -2.368   0.423
  112   1HB   CYS  15          HB2       CYS  15   3.422  -1.581  -2.423
  113   2HB   CYS  15          HB1       CYS  15   2.872  -3.036  -1.599
  114    H    CYS  16           HN       CYS  16   4.966  -4.347  -0.147
  115    HA   CYS  16           HA       CYS  16   7.643  -4.318  -1.061
  116   1HB   CYS  16          HB2       CYS  16   5.681  -6.406  -0.252
  117   2HB   CYS  16          HB1       CYS  16   7.066  -6.928  -1.202
  118    H    LYS  17           HN       LYS  17   4.595  -4.725  -2.647
  119    HA   LYS  17           HA       LYS  17   5.914  -4.757  -5.227
  120   1HB   LYS  17          HB2       LYS  17   4.147  -6.700  -5.791
  121   2HB   LYS  17          HB1       LYS  17   5.803  -7.026  -5.302
  122   1HG   LYS  17          HG2       LYS  17   4.093  -6.741  -3.001
  123   2HG   LYS  17          HG1       LYS  17   3.473  -7.967  -4.108
  124   1HD   LYS  17          HD2       LYS  17   6.143  -8.537  -4.077
  125   2HD   LYS  17          HD1       LYS  17   5.870  -7.986  -2.422
  126   1HE   LYS  17          HE2       LYS  17   4.776  -9.854  -1.885
  127   2HE   LYS  17          HE1       LYS  17   3.771  -9.766  -3.331
  128   1HZ   LYS  17          HZ1       LYS  17   4.919 -11.686  -3.709
  129   2HZ   LYS  17          HZ2       LYS  17   6.319 -11.159  -2.920
  130   3HZ   LYS  17          HZ3       LYS  17   5.955 -10.586  -4.469
  131    H    GLY  18           HN       GLY  18   4.899  -2.639  -5.159
  132   1HA   GLY  18          HA2       GLY  18   3.054  -1.866  -6.719
  133   2HA   GLY  18          HA1       GLY  18   1.985  -2.735  -5.627
  134    H    ARG  19           HN       ARG  19   0.836  -0.781  -5.251
  135    HA   ARG  19           HA       ARG  19   2.117   0.886  -3.214
  136   1HB   ARG  19          HB2       ARG  19   1.366   2.940  -4.202
  137   2HB   ARG  19          HB1       ARG  19   2.281   2.055  -5.415
  138   1HG   ARG  19          HG2       ARG  19   0.520   1.865  -6.780
  139   2HG   ARG  19          HG1       ARG  19  -0.593   1.514  -5.456
  140   1HD   ARG  19          HD2       ARG  19  -1.102   3.634  -6.633
  141   2HD   ARG  19          HD1       ARG  19  -0.770   3.849  -4.915
  142    HE   ARG  19           HE       ARG  19   1.641   4.263  -6.091
  143   1HH1  ARG  19          HH11      ARG  19  -1.542   5.607  -6.551
  144   2HH1  ARG  19          HH12      ARG  19  -0.955   7.148  -7.079
  145   1HH2  ARG  19          HH21      ARG  19   2.421   6.290  -6.785
  146   2HH2  ARG  19          HH22      ARG  19   1.298   7.537  -7.213
  147    H    CYS  20           HN       CYS  20   0.364   2.419  -2.244
  148    HA   CYS  20           HA       CYS  20  -1.630   0.793  -1.095
  149   1HB   CYS  20          HB2       CYS  20  -1.138   3.763  -1.090
  150   2HB   CYS  20          HB1       CYS  20  -2.533   3.065  -0.278
  151    H    GLY  21           HN       GLY  21  -3.941   1.012  -1.221
  152   1HA   GLY  21          HA2       GLY  21  -4.813   1.646  -3.956
  153   2HA   GLY  21          HA1       GLY  21  -5.653   0.588  -2.833
  154    H    ARG  22           HN       ARG  22  -7.626   1.607  -2.986
  155    HA   ARG  22           HA       ARG  22  -7.830   4.456  -2.492
  156   1HB   ARG  22          HB2       ARG  22  -9.680   2.295  -3.352
  157   2HB   ARG  22          HB1       ARG  22 -10.390   3.669  -2.518
  158   1HG   ARG  22          HG2       ARG  22  -9.135   5.117  -4.204
  159   2HG   ARG  22          HG1       ARG  22  -8.903   3.625  -5.118
  160   1HD   ARG  22          HD2       ARG  22 -10.855   4.293  -6.063
  161   2HD   ARG  22          HD1       ARG  22 -11.521   3.425  -4.681
  162    HE   ARG  22           HE       ARG  22 -11.333   6.337  -4.974
  163   1HH1  ARG  22          HH11      ARG  22 -12.458   3.542  -3.222
  164   2HH1  ARG  22          HH12      ARG  22 -13.561   4.445  -2.237
  165   1HH2  ARG  22          HH21      ARG  22 -12.783   7.532  -3.682
  166   2HH2  ARG  22          HH22      ARG  22 -13.745   6.712  -2.499
  167    H    ARG  23           HN       ARG  23  -8.830   1.442  -0.901
  168    HA   ARG  23           HA       ARG  23  -9.830   2.836   1.413
  169   1HB   ARG  23          HB2       ARG  23 -10.330   0.376   0.328
  170   2HB   ARG  23          HB1       ARG  23  -9.282  -0.041   1.676
  171   1HG   ARG  23          HG2       ARG  23 -10.814   0.552   3.234
  172   2HG   ARG  23          HG1       ARG  23 -11.500   1.834   2.235
  173   1HD   ARG  23          HD2       ARG  23 -13.186   0.467   1.761
  174   2HD   ARG  23          HD1       ARG  23 -12.047  -0.541   0.871
  175    HE   ARG  23           HE       ARG  23 -11.729  -1.411   3.392
  176   1HH1  ARG  23          HH11      ARG  23 -14.569  -0.874   1.443
  177   2HH1  ARG  23          HH12      ARG  23 -15.492  -2.117   2.217
  178   1HH2  ARG  23          HH21      ARG  23 -12.940  -3.049   4.418
  179   2HH2  ARG  23          HH22      ARG  23 -14.567  -3.352   3.910
  180    H    GLY  24           HN       GLY  24  -6.786   1.988   0.325
  181   1HA   GLY  24          HA2       GLY  24  -4.837   2.671   1.525
  182   2HA   GLY  24          HA1       GLY  24  -5.690   2.353   3.027
  183    H    ARG  25           HN       ARG  25  -5.711   0.118   0.337
  184    HA   ARG  25           HA       ARG  25  -4.081  -1.732   1.950
  185   1HB   ARG  25          HB2       ARG  25  -6.138  -2.470  -0.138
  186   2HB   ARG  25          HB1       ARG  25  -5.300  -3.562   0.956
  187   1HG   ARG  25          HG2       ARG  25  -6.921  -1.373   2.137
  188   2HG   ARG  25          HG1       ARG  25  -7.763  -2.747   1.418
  189   1HD   ARG  25          HD2       ARG  25  -5.828  -3.981   2.896
  190   2HD   ARG  25          HD1       ARG  25  -6.200  -2.573   3.891
  191    HE   ARG  25           HE       ARG  25  -8.387  -3.371   4.171
  192   1HH1  ARG  25          HH11      ARG  25  -6.454  -5.493   2.193
  193   2HH1  ARG  25          HH12      ARG  25  -7.538  -6.833   2.346
  194   1HH2  ARG  25          HH21      ARG  25  -9.820  -5.132   4.377
  195   2HH2  ARG  25          HH22      ARG  25  -9.454  -6.627   3.584
  196    H    CYS  26           HN       CYS  26  -2.372  -2.770   1.025
  197    HA   CYS  26           HA       CYS  26  -1.117  -1.613  -1.203
  198   1HB   CYS  26          HB2       CYS  26  -0.651  -4.079   0.424
  199   2HB   CYS  26          HB1       CYS  26   0.242  -3.869  -1.078
  200   1HN   NH2  27          H1        CYS  26  -0.437  -2.833  -3.178
  201   2HN   NH2  27          H2        CYS  26  -1.627  -3.799  -3.974
  Start of MODEL   11
    1   1H    CYS   1           HT1      CYS   1   9.223  -2.995   4.857
    2   2H    CYS   1           HT2      CYS   1  10.300  -2.681   3.591
    3   3H    CYS   1           HT3      CYS   1   9.650  -4.230   3.782
    4    HA   CYS   1           HA       CYS   1   8.213  -1.768   2.983
    5   1HB   CYS   1          HB2       CYS   1   7.675  -3.446   1.033
    6   2HB   CYS   1          HB1       CYS   1   9.214  -2.591   1.063
    7    H    LYS   2           HN       LYS   2   5.968  -2.455   2.107
    8    HA   LYS   2           HA       LYS   2   4.594  -3.754   4.304
    9   1HB   LYS   2          HB2       LYS   2   3.283  -2.643   1.836
   10   2HB   LYS   2          HB1       LYS   2   2.610  -2.814   3.451
   11   1HG   LYS   2          HG2       LYS   2   4.957  -1.096   3.379
   12   2HG   LYS   2          HG1       LYS   2   3.635  -0.515   2.363
   13   1HD   LYS   2          HD2       LYS   2   2.130  -0.466   4.197
   14   2HD   LYS   2          HD1       LYS   2   3.247  -1.366   5.225
   15   1HE   LYS   2          HE2       LYS   2   4.835   0.660   4.767
   16   2HE   LYS   2          HE1       LYS   2   3.335   1.496   4.370
   17   1HZ   LYS   2          HZ1       LYS   2   2.496   1.083   6.541
   18   2HZ   LYS   2          HZ2       LYS   2   4.053   1.719   6.723
   19   3HZ   LYS   2          HZ3       LYS   2   3.789   0.062   6.927
   20    H    GLY   3           HN       GLY   3   2.364  -4.800   3.067
   21   1HA   GLY   3          HA2       GLY   3   3.381  -6.868   1.241
   22   2HA   GLY   3          HA1       GLY   3   2.593  -7.361   2.733
   23    H    LYS   4           HN       LYS   4   1.764  -8.000   0.063
   24    HA   LYS   4           HA       LYS   4  -0.362  -6.377  -0.819
   25   1HB   LYS   4          HB2       LYS   4   0.884  -8.334  -2.006
   26   2HB   LYS   4          HB1       LYS   4  -0.328  -9.348  -1.234
   27   1HG   LYS   4          HG2       LYS   4  -2.097  -8.056  -2.329
   28   2HG   LYS   4          HG1       LYS   4  -0.871  -7.063  -3.119
   29   1HD   LYS   4          HD2       LYS   4  -0.794  -8.547  -4.773
   30   2HD   LYS   4          HD1       LYS   4  -0.179  -9.742  -3.630
   31   1HE   LYS   4          HE2       LYS   4  -2.044 -10.817  -4.436
   32   2HE   LYS   4          HE1       LYS   4  -2.702 -10.016  -3.010
   33   1HZ   LYS   4          HZ1       LYS   4  -2.849  -8.918  -5.765
   34   2HZ   LYS   4          HZ2       LYS   4  -3.590  -8.286  -4.383
   35   3HZ   LYS   4          HZ3       LYS   4  -4.100  -9.772  -5.008
   36    H    GLY   5           HN       GLY   5  -2.456  -6.235  -0.249
   37   1HA   GLY   5          HA2       GLY   5  -4.479  -6.806   0.737
   38   2HA   GLY   5          HA1       GLY   5  -3.756  -8.310   1.285
   39    H    ALA   6           HN       ALA   6  -1.620  -6.046   2.208
   40    HA   ALA   6           HA       ALA   6  -2.717  -5.969   4.916
   41   1HB   ALA   6          HB1       ALA   6   0.006  -4.955   4.236
   42   2HB   ALA   6          HB2       ALA   6  -0.297  -6.692   4.236
   43   3HB   ALA   6          HB3       ALA   6  -0.565  -5.751   5.702
   44    HA   PRO   7           HA       PRO   7  -4.007  -1.746   4.511
   45   1HB   PRO   7          HB2       PRO   7  -3.838  -1.029   7.159
   46   2HB   PRO   7          HB1       PRO   7  -5.189  -1.922   6.453
   47   1HG   PRO   7          HG2       PRO   7  -2.835  -2.947   7.990
   48   2HG   PRO   7          HG1       PRO   7  -4.538  -3.434   8.090
   49   1HD   PRO   7          HD2       PRO   7  -2.726  -4.906   6.762
   50   2HD   PRO   7          HD1       PRO   7  -4.402  -4.757   6.195
   51    H    CYS   8           HN       CYS   8  -2.217  -0.967   3.355
   52    HA   CYS   8           HA       CYS   8   0.201  -0.198   4.719
   53   1HB   CYS   8          HB2       CYS   8   0.760   0.837   2.479
   54   2HB   CYS   8          HB1       CYS   8   0.469  -0.898   2.460
   55    H    ARG   9           HN       ARG   9   1.029   2.118   4.196
   56    HA   ARG   9           HA       ARG   9  -0.954   3.917   5.338
   57   1HB   ARG   9          HB2       ARG   9   0.927   5.427   5.737
   58   2HB   ARG   9          HB1       ARG   9   1.260   3.825   6.379
   59   1HG   ARG   9          HG2       ARG   9   2.679   3.322   4.491
   60   2HG   ARG   9          HG1       ARG   9   2.284   4.874   3.750
   61   1HD   ARG   9          HD2       ARG   9   3.361   6.063   5.540
   62   2HD   ARG   9          HD1       ARG   9   3.619   4.565   6.434
   63    HE   ARG   9           HE       ARG   9   4.881   4.199   4.025
   64   1HH1  ARG   9          HH11      ARG   9   5.102   6.485   6.646
   65   2HH1  ARG   9          HH12      ARG   9   6.789   6.797   6.401
   66   1HH2  ARG   9          HH21      ARG   9   7.099   4.606   3.695
   67   2HH2  ARG   9          HH22      ARG   9   7.923   5.730   4.723
   68    H    LYS  10           HN       LYS  10  -1.826   5.604   4.322
   69    HA   LYS  10           HA       LYS  10  -1.626   5.761   1.468
   70   1HB   LYS  10          HB2       LYS  10  -3.229   7.118   3.584
   71   2HB   LYS  10          HB1       LYS  10  -3.092   7.914   2.022
   72   1HG   LYS  10          HG2       LYS  10  -4.061   6.030   0.907
   73   2HG   LYS  10          HG1       LYS  10  -4.036   5.081   2.394
   74   1HD   LYS  10          HD2       LYS  10  -5.452   7.178   3.256
   75   2HD   LYS  10          HD1       LYS  10  -5.876   7.242   1.543
   76   1HE   LYS  10          HE2       LYS  10  -6.501   4.831   1.685
   77   2HE   LYS  10          HE1       LYS  10  -6.233   4.914   3.425
   78   1HZ   LYS  10          HZ1       LYS  10  -7.893   7.015   2.893
   79   2HZ   LYS  10          HZ2       LYS  10  -8.349   5.530   3.562
   80   3HZ   LYS  10          HZ3       LYS  10  -8.483   5.781   1.895
   81    H    THR  11           HN       THR  11   0.829   6.318   2.893
   82    HA   THR  11           HA       THR  11   1.281   9.172   2.577
   83    HB   THR  11           HB       THR  11   3.173   6.980   3.454
   84    HG1  THR  11           HG1      THR  11   1.999   8.976   5.094
   85   1HG2  THR  11          HG21      THR  11   3.582   9.778   2.800
   86   2HG2  THR  11          HG22      THR  11   4.765   8.510   3.121
   87   3HG2  THR  11          HG23      THR  11   4.053   9.410   4.459
   88    H    MET  12           HN       MET  12   2.885   6.190   1.452
   89    HA   MET  12           HA       MET  12   3.269   7.400  -1.174
   90   1HB   MET  12          HB2       MET  12   5.660   6.887  -1.197
   91   2HB   MET  12          HB1       MET  12   5.275   8.013   0.098
   92   1HG   MET  12          HG2       MET  12   5.062   5.657   1.406
   93   2HG   MET  12          HG1       MET  12   6.307   5.269   0.219
   94   1HE   MET  12          HE1       MET  12   8.266   7.047  -0.273
   95   2HE   MET  12          HE2       MET  12   8.842   5.727   0.743
   96   3HE   MET  12          HE3       MET  12   9.292   7.390   1.120
   97    H    TYR  13           HN       TYR  13   5.161   5.405  -2.006
   98    HA   TYR  13           HA       TYR  13   3.344   3.110  -2.206
   99   1HB   TYR  13          HB2       TYR  13   5.784   3.429  -3.915
  100   2HB   TYR  13          HB1       TYR  13   4.256   2.645  -4.293
  101    HD1  TYR  13           HD1      TYR  13   2.254   4.049  -4.819
  102    HD2  TYR  13           HD2      TYR  13   6.144   5.723  -4.408
  103    HE1  TYR  13           HE1      TYR  13   1.499   6.076  -5.990
  104    HE2  TYR  13           HE2      TYR  13   5.399   7.755  -5.578
  105    HH   TYR  13           HH       TYR  13   2.873   7.983  -7.443
  106    H    ASP  14           HN       ASP  14   4.184   2.700   0.081
  107    HA   ASP  14           HA       ASP  14   6.848   1.625   0.294
  108   1HB   ASP  14          HB2       ASP  14   4.851   2.535   2.093
  109   2HB   ASP  14          HB1       ASP  14   5.201   0.859   2.506
  110    H    CYS  15           HN       CYS  15   4.019   0.445  -0.967
  111    HA   CYS  15           HA       CYS  15   3.874  -2.177   0.004
  112   1HB   CYS  15          HB2       CYS  15   2.366  -0.753  -1.697
  113   2HB   CYS  15          HB1       CYS  15   3.263  -1.716  -2.866
  114    H    CYS  16           HN       CYS  16   5.272  -3.788  -0.122
  115    HA   CYS  16           HA       CYS  16   7.653  -3.655  -1.645
  116   1HB   CYS  16          HB2       CYS  16   6.862  -5.092   0.518
  117   2HB   CYS  16          HB1       CYS  16   6.760  -6.322  -0.738
  118    H    LYS  17           HN       LYS  17   4.487  -4.736  -2.378
  119    HA   LYS  17           HA       LYS  17   5.440  -5.731  -4.969
  120   1HB   LYS  17          HB2       LYS  17   3.292  -7.325  -4.628
  121   2HB   LYS  17          HB1       LYS  17   4.931  -7.807  -4.214
  122   1HG   LYS  17          HG2       LYS  17   3.347  -6.411  -2.132
  123   2HG   LYS  17          HG1       LYS  17   2.903  -8.071  -2.530
  124   1HD   LYS  17          HD2       LYS  17   5.625  -8.239  -2.341
  125   2HD   LYS  17          HD1       LYS  17   5.245  -7.035  -1.108
  126   1HE   LYS  17          HE2       LYS  17   5.188  -9.150  -0.037
  127   2HE   LYS  17          HE1       LYS  17   3.514  -8.636  -0.233
  128   1HZ   LYS  17          HZ1       LYS  17   3.271 -10.690  -1.067
  129   2HZ   LYS  17          HZ2       LYS  17   4.914 -10.872  -1.426
  130   3HZ   LYS  17          HZ3       LYS  17   3.908 -10.020  -2.485
  131    H    GLY  18           HN       GLY  18   4.753  -3.328  -5.174
  132   1HA   GLY  18          HA2       GLY  18   3.055  -2.635  -6.914
  133   2HA   GLY  18          HA1       GLY  18   1.861  -3.206  -5.758
  134    H    ARG  19           HN       ARG  19   0.820  -1.435  -5.093
  135    HA   ARG  19           HA       ARG  19   2.331   0.577  -3.642
  136   1HB   ARG  19          HB2       ARG  19   0.981   2.398  -4.857
  137   2HB   ARG  19          HB1       ARG  19   2.366   1.706  -5.691
  138   1HG   ARG  19          HG2       ARG  19   1.108   0.858  -7.331
  139   2HG   ARG  19          HG1       ARG  19  -0.148   0.313  -6.218
  140   1HD   ARG  19          HD2       ARG  19  -0.106   3.182  -6.335
  141   2HD   ARG  19          HD1       ARG  19  -0.225   2.515  -7.962
  142    HE   ARG  19           HE       ARG  19  -2.243   2.488  -5.939
  143   1HH1  ARG  19          HH11      ARG  19  -1.004   0.761  -8.701
  144   2HH1  ARG  19          HH12      ARG  19  -2.522   0.015  -9.076
  145   1HH2  ARG  19          HH21      ARG  19  -4.243   1.510  -6.425
  146   2HH2  ARG  19          HH22      ARG  19  -4.362   0.440  -7.782
  147    H    CYS  20           HN       CYS  20   0.896   2.043  -2.408
  148    HA   CYS  20           HA       CYS  20  -1.077   0.593  -1.028
  149   1HB   CYS  20          HB2       CYS  20   0.341   2.802  -0.452
  150   2HB   CYS  20          HB1       CYS  20  -1.182   3.557  -0.911
  151    H    GLY  21           HN       GLY  21  -3.270   0.546  -1.133
  152   1HA   GLY  21          HA2       GLY  21  -4.482   1.297  -3.626
  153   2HA   GLY  21          HA1       GLY  21  -5.281   0.517  -2.268
  154    H    ARG  22           HN       ARG  22  -6.771   2.300  -3.490
  155    HA   ARG  22           HA       ARG  22  -6.428   4.936  -2.342
  156   1HB   ARG  22          HB2       ARG  22  -8.348   5.576  -3.637
  157   2HB   ARG  22          HB1       ARG  22  -7.297   4.599  -4.653
  158   1HG   ARG  22          HG2       ARG  22  -8.845   3.014  -4.934
  159   2HG   ARG  22          HG1       ARG  22  -9.333   3.054  -3.238
  160   1HD   ARG  22          HD2       ARG  22 -10.925   4.656  -3.591
  161   2HD   ARG  22          HD1       ARG  22 -10.065   5.363  -4.958
  162    HE   ARG  22           HE       ARG  22 -11.777   2.980  -5.035
  163   1HH1  ARG  22          HH11      ARG  22  -9.933   5.440  -6.676
  164   2HH1  ARG  22          HH12      ARG  22 -10.590   5.073  -8.236
  165   1HH2  ARG  22          HH21      ARG  22 -12.647   2.491  -7.085
  166   2HH2  ARG  22          HH22      ARG  22 -12.134   3.398  -8.469
  167    H    ARG  23           HN       ARG  23  -7.411   2.144  -1.061
  168    HA   ARG  23           HA       ARG  23  -9.549   3.375   0.547
  169   1HB   ARG  23          HB2       ARG  23  -9.896   1.178  -0.846
  170   2HB   ARG  23          HB1       ARG  23  -9.059   0.423   0.504
  171   1HG   ARG  23          HG2       ARG  23 -11.114   2.173   1.475
  172   2HG   ARG  23          HG1       ARG  23 -11.780   1.036   0.301
  173   1HD   ARG  23          HD2       ARG  23 -11.640  -0.647   1.750
  174   2HD   ARG  23          HD1       ARG  23  -9.949  -0.288   2.090
  175    HE   ARG  23           HE       ARG  23 -10.602   0.748   4.018
  176   1HH1  ARG  23          HH11      ARG  23 -13.367   0.438   1.920
  177   2HH1  ARG  23          HH12      ARG  23 -14.493   1.006   3.108
  178   1HH2  ARG  23          HH21      ARG  23 -12.077   1.493   5.588
  179   2HH2  ARG  23          HH22      ARG  23 -13.760   1.606   5.193
  180    H    GLY  24           HN       GLY  24  -6.408   1.937   0.603
  181   1HA   GLY  24          HA2       GLY  24  -5.128   2.745   2.627
  182   2HA   GLY  24          HA1       GLY  24  -6.426   2.011   3.556
  183    H    ARG  25           HN       ARG  25  -6.360  -0.109   1.256
  184    HA   ARG  25           HA       ARG  25  -4.348  -1.777   2.586
  185   1HB   ARG  25          HB2       ARG  25  -6.951  -2.316   2.034
  186   2HB   ARG  25          HB1       ARG  25  -6.172  -3.006   0.616
  187   1HG   ARG  25          HG2       ARG  25  -5.882  -4.833   1.843
  188   2HG   ARG  25          HG1       ARG  25  -4.624  -3.933   2.693
  189   1HD   ARG  25          HD2       ARG  25  -6.015  -3.419   4.474
  190   2HD   ARG  25          HD1       ARG  25  -7.482  -3.678   3.531
  191    HE   ARG  25           HE       ARG  25  -5.775  -5.781   4.672
  192   1HH1  ARG  25          HH11      ARG  25  -8.760  -4.761   3.191
  193   2HH1  ARG  25          HH12      ARG  25  -9.570  -6.262   3.489
  194   1HH2  ARG  25          HH21      ARG  25  -6.833  -7.763   5.063
  195   2HH2  ARG  25          HH22      ARG  25  -8.475  -7.969   4.552
  196    H    CYS  26           HN       CYS  26  -2.814  -2.949   1.421
  197    HA   CYS  26           HA       CYS  26  -1.715  -1.660  -0.828
  198   1HB   CYS  26          HB2       CYS  26  -1.038  -3.888   0.893
  199   2HB   CYS  26          HB1       CYS  26  -0.663  -4.256  -0.787
  200   1HN   NH2  27          H1        CYS  26  -1.225  -2.780  -2.913
  201   2HN   NH2  27          H2        CYS  26  -2.493  -3.686  -3.658
  Start of MODEL   12
    1   1H    CYS   1           HT1      CYS   1   8.761  -2.717   5.252
    2   2H    CYS   1           HT2      CYS   1   9.934  -2.671   4.037
    3   3H    CYS   1           HT3      CYS   1   9.145  -4.124   4.395
    4    HA   CYS   1           HA       CYS   1   7.876  -1.697   3.262
    5   1HB   CYS   1          HB2       CYS   1   7.646  -3.114   1.233
    6   2HB   CYS   1          HB1       CYS   1   9.325  -2.798   1.656
    7    H    LYS   2           HN       LYS   2   5.704  -2.307   2.304
    8    HA   LYS   2           HA       LYS   2   4.159  -3.635   4.361
    9   1HB   LYS   2          HB2       LYS   2   3.009  -2.529   1.817
   10   2HB   LYS   2          HB1       LYS   2   2.270  -2.638   3.407
   11   1HG   LYS   2          HG2       LYS   2   4.647  -0.889   2.950
   12   2HG   LYS   2          HG1       LYS   2   3.020  -0.339   2.540
   13   1HD   LYS   2          HD2       LYS   2   2.370  -0.987   4.910
   14   2HD   LYS   2          HD1       LYS   2   4.098  -1.130   5.234
   15   1HE   LYS   2          HE2       LYS   2   4.461   1.129   5.035
   16   2HE   LYS   2          HE1       LYS   2   3.087   1.362   3.956
   17   1HZ   LYS   2          HZ1       LYS   2   2.876   2.252   6.301
   18   2HZ   LYS   2          HZ2       LYS   2   2.731   0.644   6.804
   19   3HZ   LYS   2          HZ3       LYS   2   1.595   1.301   5.737
   20    H    GLY   3           HN       GLY   3   2.018  -4.617   2.862
   21   1HA   GLY   3          HA2       GLY   3   3.081  -6.588   1.006
   22   2HA   GLY   3          HA1       GLY   3   2.456  -7.224   2.519
   23    H    LYS   4           HN       LYS   4   1.484  -7.756  -0.141
   24    HA   LYS   4           HA       LYS   4  -0.803  -6.295  -0.811
   25   1HB   LYS   4          HB2       LYS   4   0.327  -8.008  -2.246
   26   2HB   LYS   4          HB1       LYS   4  -0.379  -9.258  -1.232
   27   1HG   LYS   4          HG2       LYS   4  -2.624  -8.055  -1.833
   28   2HG   LYS   4          HG1       LYS   4  -1.687  -7.450  -3.201
   29   1HD   LYS   4          HD2       LYS   4  -2.393  -9.372  -4.166
   30   2HD   LYS   4          HD1       LYS   4  -1.017 -10.054  -3.296
   31   1HE   LYS   4          HE2       LYS   4  -2.514 -11.482  -2.440
   32   2HE   LYS   4          HE1       LYS   4  -2.975 -10.135  -1.399
   33   1HZ   LYS   4          HZ1       LYS   4  -4.897 -11.133  -2.471
   34   2HZ   LYS   4          HZ2       LYS   4  -4.243 -10.817  -3.998
   35   3HZ   LYS   4          HZ3       LYS   4  -4.690  -9.536  -2.989
   36    H    GLY   5           HN       GLY   5  -2.752  -6.128   0.089
   37   1HA   GLY   5          HA2       GLY   5  -4.705  -6.928   1.139
   38   2HA   GLY   5          HA1       GLY   5  -3.797  -8.315   1.722
   39    H    ALA   6           HN       ALA   6  -1.655  -6.252   2.537
   40    HA   ALA   6           HA       ALA   6  -2.747  -5.828   5.203
   41   1HB   ALA   6          HB1       ALA   6  -0.440  -5.272   5.828
   42   2HB   ALA   6          HB2       ALA   6   0.048  -5.432   4.141
   43   3HB   ALA   6          HB3       ALA   6  -0.544  -6.839   5.024
   44    HA   PRO   7           HA       PRO   7  -3.837  -1.594   4.397
   45   1HB   PRO   7          HB2       PRO   7  -3.385  -1.270   7.313
   46   2HB   PRO   7          HB1       PRO   7  -4.818  -0.904   6.346
   47   1HG   PRO   7          HG2       PRO   7  -4.765  -3.027   7.957
   48   2HG   PRO   7          HG1       PRO   7  -5.560  -3.101   6.373
   49   1HD   PRO   7          HD2       PRO   7  -2.894  -4.171   7.209
   50   2HD   PRO   7          HD1       PRO   7  -4.112  -4.890   6.135
   51    H    CYS   8           HN       CYS   8  -2.164  -0.657   3.316
   52    HA   CYS   8           HA       CYS   8   0.330  -0.058   4.678
   53   1HB   CYS   8          HB2       CYS   8   0.865   1.010   2.397
   54   2HB   CYS   8          HB1       CYS   8   0.679  -0.739   2.455
   55    H    ARG   9           HN       ARG   9   1.250   2.191   4.395
   56    HA   ARG   9           HA       ARG   9  -0.702   4.063   5.420
   57   1HB   ARG   9          HB2       ARG   9   1.226   5.538   5.807
   58   2HB   ARG   9          HB1       ARG   9   1.474   3.944   6.502
   59   1HG   ARG   9          HG2       ARG   9   2.995   3.336   4.791
   60   2HG   ARG   9          HG1       ARG   9   2.571   4.750   3.823
   61   1HD   ARG   9          HD2       ARG   9   3.730   6.203   5.197
   62   2HD   ARG   9          HD1       ARG   9   3.658   5.114   6.581
   63    HE   ARG   9           HE       ARG   9   5.196   3.942   4.533
   64   1HH1  ARG   9          HH11      ARG   9   5.318   6.519   6.875
   65   2HH1  ARG   9          HH12      ARG   9   7.045   6.491   7.009
   66   1HH2  ARG   9          HH21      ARG   9   7.471   3.897   4.703
   67   2HH2  ARG   9          HH22      ARG   9   8.267   5.000   5.775
   68    H    LYS  10           HN       LYS  10  -1.562   5.740   4.381
   69    HA   LYS  10           HA       LYS  10  -1.374   5.880   1.541
   70   1HB   LYS  10          HB2       LYS  10  -2.638   7.943   3.339
   71   2HB   LYS  10          HB1       LYS  10  -3.040   7.579   1.666
   72   1HG   LYS  10          HG2       LYS  10  -3.770   5.307   2.441
   73   2HG   LYS  10          HG1       LYS  10  -3.574   5.891   4.094
   74   1HD   LYS  10          HD2       LYS  10  -5.754   6.440   3.856
   75   2HD   LYS  10          HD1       LYS  10  -5.080   7.875   3.079
   76   1HE   LYS  10          HE2       LYS  10  -5.226   5.858   1.111
   77   2HE   LYS  10          HE1       LYS  10  -6.764   5.846   1.972
   78   1HZ   LYS  10          HZ1       LYS  10  -5.637   8.417   1.115
   79   2HZ   LYS  10          HZ2       LYS  10  -7.255   7.965   1.312
   80   3HZ   LYS  10          HZ3       LYS  10  -6.387   7.433  -0.039
   81    H    THR  11           HN       THR  11   1.069   6.506   3.196
   82    HA   THR  11           HA       THR  11   1.626   9.288   2.725
   83    HB   THR  11           HB       THR  11   3.508   7.052   3.510
   84    HG1  THR  11           HG1      THR  11   3.133   8.468   5.592
   85   1HG2  THR  11          HG21      THR  11   4.207   9.507   2.583
   86   2HG2  THR  11          HG22      THR  11   5.162   8.570   3.733
   87   3HG2  THR  11          HG23      THR  11   4.069   9.828   4.313
   88    H    MET  12           HN       MET  12   2.770   6.197   1.398
   89    HA   MET  12           HA       MET  12   3.166   7.388  -1.197
   90   1HB   MET  12          HB2       MET  12   5.564   6.713  -1.326
   91   2HB   MET  12          HB1       MET  12   5.261   8.028  -0.198
   92   1HG   MET  12          HG2       MET  12   5.038   5.810   1.398
   93   2HG   MET  12          HG1       MET  12   6.318   5.356   0.272
   94   1HE   MET  12          HE1       MET  12   8.611   5.465   1.774
   95   2HE   MET  12          HE2       MET  12   7.247   5.137   2.840
   96   3HE   MET  12          HE3       MET  12   8.460   6.331   3.303
   97    H    TYR  13           HN       TYR  13   5.004   5.325  -2.061
   98    HA   TYR  13           HA       TYR  13   3.128   3.066  -2.115
   99   1HB   TYR  13          HB2       TYR  13   5.149   2.602  -4.004
  100   2HB   TYR  13          HB1       TYR  13   3.502   3.135  -4.323
  101    HD1  TYR  13           HD1      TYR  13   3.022   5.457  -4.827
  102    HD2  TYR  13           HD2      TYR  13   6.999   4.186  -4.013
  103    HE1  TYR  13           HE1      TYR  13   3.877   7.579  -5.728
  104    HE2  TYR  13           HE2      TYR  13   7.866   6.305  -4.911
  105    HH   TYR  13           HH       TYR  13   7.215   8.093  -6.366
  106    H    ASP  14           HN       ASP  14   4.035   2.666   0.121
  107    HA   ASP  14           HA       ASP  14   6.697   1.588   0.282
  108   1HB   ASP  14          HB2       ASP  14   4.904   2.634   2.112
  109   2HB   ASP  14          HB1       ASP  14   4.907   0.918   2.489
  110    H    CYS  15           HN       CYS  15   3.799   0.392  -0.849
  111    HA   CYS  15           HA       CYS  15   3.716  -2.226   0.128
  112   1HB   CYS  15          HB2       CYS  15   2.845  -1.072  -2.523
  113   2HB   CYS  15          HB1       CYS  15   2.523  -2.736  -2.046
  114    H    CYS  16           HN       CYS  16   5.191  -3.769   0.002
  115    HA   CYS  16           HA       CYS  16   7.525  -3.664  -1.508
  116   1HB   CYS  16          HB2       CYS  16   6.423  -5.381   0.412
  117   2HB   CYS  16          HB1       CYS  16   6.735  -6.400  -0.989
  118    H    LYS  17           HN       LYS  17   4.374  -4.952  -2.299
  119    HA   LYS  17           HA       LYS  17   5.381  -5.609  -4.988
  120   1HB   LYS  17          HB2       LYS  17   3.572  -7.129  -3.171
  121   2HB   LYS  17          HB1       LYS  17   3.242  -7.191  -4.897
  122   1HG   LYS  17          HG2       LYS  17   4.602  -9.011  -4.646
  123   2HG   LYS  17          HG1       LYS  17   5.787  -7.771  -5.061
  124   1HD   LYS  17          HD2       LYS  17   6.461  -7.529  -2.804
  125   2HD   LYS  17          HD1       LYS  17   5.078  -8.456  -2.218
  126   1HE   LYS  17          HE2       LYS  17   6.371 -10.263  -2.244
  127   2HE   LYS  17          HE1       LYS  17   6.396 -10.150  -4.003
  128   1HZ   LYS  17          HZ1       LYS  17   8.280  -8.533  -2.430
  129   2HZ   LYS  17          HZ2       LYS  17   8.441  -9.143  -3.998
  130   3HZ   LYS  17          HZ3       LYS  17   8.604 -10.176  -2.670
  131    H    GLY  18           HN       GLY  18   4.824  -3.309  -5.356
  132   1HA   GLY  18          HA2       GLY  18   3.190  -2.392  -6.966
  133   2HA   GLY  18          HA1       GLY  18   1.935  -3.022  -5.910
  134    H    ARG  19           HN       ARG  19   0.909  -1.162  -5.370
  135    HA   ARG  19           HA       ARG  19   2.384   0.662  -3.630
  136   1HB   ARG  19          HB2       ARG  19   0.961   2.533  -4.856
  137   2HB   ARG  19          HB1       ARG  19   2.551   2.058  -5.435
  138   1HG   ARG  19          HG2       ARG  19   1.705   0.941  -7.258
  139   2HG   ARG  19          HG1       ARG  19   0.134   0.676  -6.500
  140   1HD   ARG  19          HD2       ARG  19   1.207   3.314  -7.492
  141   2HD   ARG  19          HD1       ARG  19  -0.019   2.328  -8.289
  142    HE   ARG  19           HE       ARG  19  -1.549   2.903  -6.587
  143   1HH1  ARG  19          HH11      ARG  19   1.540   4.478  -6.227
  144   2HH1  ARG  19          HH12      ARG  19   0.940   5.686  -5.141
  145   1HH2  ARG  19          HH21      ARG  19  -2.344   4.490  -5.157
  146   2HH2  ARG  19          HH22      ARG  19  -1.266   5.694  -4.533
  147    H    CYS  20           HN       CYS  20   0.940   2.063  -2.355
  148    HA   CYS  20           HA       CYS  20  -1.096   0.620  -1.116
  149   1HB   CYS  20          HB2       CYS  20   0.260   2.885  -0.512
  150   2HB   CYS  20          HB1       CYS  20  -1.299   3.567  -0.964
  151    H    GLY  21           HN       GLY  21  -3.319   0.652  -1.231
  152   1HA   GLY  21          HA2       GLY  21  -4.398   1.521  -3.794
  153   2HA   GLY  21          HA1       GLY  21  -5.196   0.477  -2.629
  154    H    ARG  22           HN       ARG  22  -7.025   1.918  -3.248
  155    HA   ARG  22           HA       ARG  22  -7.006   4.621  -2.282
  156   1HB   ARG  22          HB2       ARG  22  -9.457   4.527  -2.826
  157   2HB   ARG  22          HB1       ARG  22  -8.391   4.152  -4.171
  158   1HG   ARG  22          HG2       ARG  22  -8.787   1.761  -3.810
  159   2HG   ARG  22          HG1       ARG  22  -9.880   2.155  -2.481
  160   1HD   ARG  22          HD2       ARG  22 -11.080   1.676  -4.576
  161   2HD   ARG  22          HD1       ARG  22 -11.361   3.318  -3.998
  162    HE   ARG  22           HE       ARG  22 -10.012   4.137  -5.762
  163   1HH1  ARG  22          HH11      ARG  22 -10.504   0.690  -5.879
  164   2HH1  ARG  22          HH12      ARG  22 -10.039   0.552  -7.541
  165   1HH2  ARG  22          HH21      ARG  22  -9.401   3.964  -7.950
  166   2HH2  ARG  22          HH22      ARG  22  -9.415   2.413  -8.720
  167    H    ARG  23           HN       ARG  23  -8.321   1.534  -1.171
  168    HA   ARG  23           HA       ARG  23  -9.551   2.717   1.153
  169   1HB   ARG  23          HB2       ARG  23  -9.578   0.145  -0.184
  170   2HB   ARG  23          HB1       ARG  23  -9.395  -0.043   1.554
  171   1HG   ARG  23          HG2       ARG  23 -11.450   1.885   0.779
  172   2HG   ARG  23          HG1       ARG  23 -11.762   0.234   0.239
  173   1HD   ARG  23          HD2       ARG  23 -10.906   0.744   3.056
  174   2HD   ARG  23          HD1       ARG  23 -12.582   1.021   2.587
  175    HE   ARG  23           HE       ARG  23 -11.194  -1.549   2.665
  176   1HH1  ARG  23          HH11      ARG  23 -14.095   0.271   2.020
  177   2HH1  ARG  23          HH12      ARG  23 -15.124  -1.122   2.028
  178   1HH2  ARG  23          HH21      ARG  23 -12.542  -3.388   2.675
  179   2HH2  ARG  23          HH22      ARG  23 -14.241  -3.202   2.400
  180    H    GLY  24           HN       GLY  24  -6.443   2.313   0.428
  181   1HA   GLY  24          HA2       GLY  24  -4.631   2.603   1.872
  182   2HA   GLY  24          HA1       GLY  24  -5.672   2.189   3.225
  183    H    ARG  25           HN       ARG  25  -5.732   0.078   0.513
  184    HA   ARG  25           HA       ARG  25  -4.065  -1.849   1.994
  185   1HB   ARG  25          HB2       ARG  25  -6.383  -2.446   0.148
  186   2HB   ARG  25          HB1       ARG  25  -5.435  -3.630   1.035
  187   1HG   ARG  25          HG2       ARG  25  -6.902  -1.463   2.480
  188   2HG   ARG  25          HG1       ARG  25  -7.735  -2.926   1.950
  189   1HD   ARG  25          HD2       ARG  25  -5.559  -4.004   3.126
  190   2HD   ARG  25          HD1       ARG  25  -5.743  -2.539   4.091
  191    HE   ARG  25           HE       ARG  25  -7.395  -4.857   4.171
  192   1HH1  ARG  25          HH11      ARG  25  -7.434  -1.390   4.524
  193   2HH1  ARG  25          HH12      ARG  25  -8.810  -1.384   5.577
  194   1HH2  ARG  25          HH21      ARG  25  -9.204  -4.858   5.558
  195   2HH2  ARG  25          HH22      ARG  25  -9.813  -3.355   6.166
  196    H    CYS  26           HN       CYS  26  -2.479  -2.930   0.921
  197    HA   CYS  26           HA       CYS  26  -1.357  -1.830  -1.382
  198   1HB   CYS  26          HB2       CYS  26  -0.962  -4.449   0.038
  199   2HB   CYS  26          HB1       CYS  26  -0.098  -4.096  -1.455
  200   1HN   NH2  27          H1        CYS  26  -0.910  -3.060  -3.430
  201   2HN   NH2  27          H2        CYS  26  -2.232  -3.896  -4.162
  Start of MODEL   13
    1   1H    CYS   1           HT1      CYS   1   9.203  -4.220   3.839
    2   2H    CYS   1           HT2      CYS   1   9.000  -2.694   4.541
    3   3H    CYS   1           HT3      CYS   1  10.051  -2.888   3.230
    4    HA   CYS   1           HA       CYS   1   7.920  -1.847   2.615
    5   1HB   CYS   1          HB2       CYS   1   7.483  -3.622   0.760
    6   2HB   CYS   1          HB1       CYS   1   9.051  -2.825   0.824
    7    H    LYS   2           HN       LYS   2   5.683  -2.421   1.900
    8    HA   LYS   2           HA       LYS   2   4.309  -3.749   4.070
    9   1HB   LYS   2          HB2       LYS   2   2.994  -2.598   1.622
   10   2HB   LYS   2          HB1       LYS   2   2.332  -2.773   3.238
   11   1HG   LYS   2          HG2       LYS   2   4.690  -1.000   2.812
   12   2HG   LYS   2          HG1       LYS   2   3.079  -0.437   2.364
   13   1HD   LYS   2          HD2       LYS   2   2.314  -0.982   4.668
   14   2HD   LYS   2          HD1       LYS   2   3.983  -1.376   5.084
   15   1HE   LYS   2          HE2       LYS   2   4.121   1.139   3.893
   16   2HE   LYS   2          HE1       LYS   2   2.680   1.202   4.909
   17   1HZ   LYS   2          HZ1       LYS   2   4.156   1.694   6.503
   18   2HZ   LYS   2          HZ2       LYS   2   5.469   1.033   5.665
   19   3HZ   LYS   2          HZ3       LYS   2   4.435   0.026   6.548
   20    H    GLY   3           HN       GLY   3   2.068  -4.784   2.864
   21   1HA   GLY   3          HA2       GLY   3   2.956  -6.737   0.883
   22   2HA   GLY   3          HA1       GLY   3   2.455  -7.369   2.445
   23    H    LYS   4           HN       LYS   4   1.256  -7.919  -0.107
   24    HA   LYS   4           HA       LYS   4  -1.078  -6.433  -0.570
   25   1HB   LYS   4          HB2       LYS   4   0.134  -8.458  -1.865
   26   2HB   LYS   4          HB1       LYS   4  -1.166  -9.351  -1.089
   27   1HG   LYS   4          HG2       LYS   4  -2.825  -8.019  -2.163
   28   2HG   LYS   4          HG1       LYS   4  -1.605  -6.901  -2.777
   29   1HD   LYS   4          HD2       LYS   4  -1.152  -9.697  -3.522
   30   2HD   LYS   4          HD1       LYS   4  -2.647  -9.013  -4.164
   31   1HE   LYS   4          HE2       LYS   4  -1.071  -7.000  -4.782
   32   2HE   LYS   4          HE1       LYS   4   0.183  -8.238  -4.687
   33   1HZ   LYS   4          HZ1       LYS   4  -0.779  -9.443  -6.416
   34   2HZ   LYS   4          HZ2       LYS   4  -0.913  -7.838  -6.931
   35   3HZ   LYS   4          HZ3       LYS   4  -2.262  -8.637  -6.299
   36    H    GLY   5           HN       GLY   5  -3.131  -6.543   0.217
   37   1HA   GLY   5          HA2       GLY   5  -4.921  -7.306   1.487
   38   2HA   GLY   5          HA1       GLY   5  -3.942  -8.675   1.993
   39    H    ALA   6           HN       ALA   6  -2.148  -5.928   2.447
   40    HA   ALA   6           HA       ALA   6  -3.002  -5.735   5.262
   41   1HB   ALA   6          HB1       ALA   6  -0.767  -6.750   4.918
   42   2HB   ALA   6          HB2       ALA   6  -0.721  -5.263   5.866
   43   3HB   ALA   6          HB3       ALA   6  -0.235  -5.243   4.169
   44    HA   PRO   7           HA       PRO   7  -3.958  -1.484   4.409
   45   1HB   PRO   7          HB2       PRO   7  -3.986  -0.553   6.966
   46   2HB   PRO   7          HB1       PRO   7  -5.293  -1.521   6.273
   47   1HG   PRO   7          HG2       PRO   7  -3.035  -2.378   8.042
   48   2HG   PRO   7          HG1       PRO   7  -4.748  -2.834   8.112
   49   1HD   PRO   7          HD2       PRO   7  -2.870  -4.444   7.027
   50   2HD   PRO   7          HD1       PRO   7  -4.535  -4.384   6.414
   51    H    CYS   8           HN       CYS   8  -2.154  -0.704   3.362
   52    HA   CYS   8           HA       CYS   8   0.282  -0.097   4.778
   53   1HB   CYS   8          HB2       CYS   8   0.863   1.019   2.548
   54   2HB   CYS   8          HB1       CYS   8   0.604  -0.723   2.526
   55    H    ARG   9           HN       ARG   9   1.176   2.253   4.086
   56    HA   ARG   9           HA       ARG   9  -0.697   4.091   5.367
   57   1HB   ARG   9          HB2       ARG   9   1.304   5.571   5.587
   58   2HB   ARG   9          HB1       ARG   9   1.466   4.022   6.402
   59   1HG   ARG   9          HG2       ARG   9   2.971   3.210   4.806
   60   2HG   ARG   9          HG1       ARG   9   2.544   4.465   3.640
   61   1HD   ARG   9          HD2       ARG   9   3.611   6.149   4.969
   62   2HD   ARG   9          HD1       ARG   9   3.878   5.009   6.287
   63    HE   ARG   9           HE       ARG   9   5.169   3.916   4.136
   64   1HH1  ARG   9          HH11      ARG   9   5.315   6.952   5.840
   65   2HH1  ARG   9          HH12      ARG   9   6.996   7.203   5.513
   66   1HH2  ARG   9          HH21      ARG   9   7.387   4.238   3.701
   67   2HH2  ARG   9          HH22      ARG   9   8.174   5.661   4.296
   68    H    LYS  10           HN       LYS  10  -1.605   5.753   4.359
   69    HA   LYS  10           HA       LYS  10  -1.481   5.927   1.514
   70   1HB   LYS  10          HB2       LYS  10  -3.137   6.976   3.639
   71   2HB   LYS  10          HB1       LYS  10  -2.755   8.236   2.473
   72   1HG   LYS  10          HG2       LYS  10  -3.638   6.893   0.672
   73   2HG   LYS  10          HG1       LYS  10  -3.932   5.553   1.783
   74   1HD   LYS  10          HD2       LYS  10  -5.225   7.666   2.988
   75   2HD   LYS  10          HD1       LYS  10  -5.521   7.943   1.270
   76   1HE   LYS  10          HE2       LYS  10  -7.293   6.585   2.197
   77   2HE   LYS  10          HE1       LYS  10  -6.338   5.630   1.064
   78   1HZ   LYS  10          HZ1       LYS  10  -5.149   4.679   2.963
   79   2HZ   LYS  10          HZ2       LYS  10  -6.808   4.360   3.041
   80   3HZ   LYS  10          HZ3       LYS  10  -6.130   5.557   4.025
   81    H    THR  11           HN       THR  11   1.012   6.493   3.002
   82    HA   THR  11           HA       THR  11   1.524   9.310   2.580
   83    HB   THR  11           HB       THR  11   3.332   7.058   3.479
   84    HG1  THR  11           HG1      THR  11   3.118   8.232   5.509
   85   1HG2  THR  11          HG21      THR  11   4.182   9.385   2.333
   86   2HG2  THR  11          HG22      THR  11   5.100   8.445   3.510
   87   3HG2  THR  11          HG23      THR  11   4.136   9.823   4.041
   88    H    MET  12           HN       MET  12   2.934   6.255   1.397
   89    HA   MET  12           HA       MET  12   3.235   7.393  -1.254
   90   1HB   MET  12          HB2       MET  12   5.661   6.804  -1.340
   91   2HB   MET  12          HB1       MET  12   5.290   8.139  -0.257
   92   1HG   MET  12          HG2       MET  12   5.136   5.911   1.371
   93   2HG   MET  12          HG1       MET  12   6.498   5.568   0.304
   94   1HE   MET  12          HE1       MET  12   8.364   7.222  -0.180
   95   2HE   MET  12          HE2       MET  12   8.929   8.472   0.929
   96   3HE   MET  12          HE3       MET  12   7.569   8.796  -0.147
   97    H    TYR  13           HN       TYR  13   5.212   5.362  -1.992
   98    HA   TYR  13           HA       TYR  13   3.407   3.045  -2.063
   99   1HB   TYR  13          HB2       TYR  13   5.696   2.937  -3.871
  100   2HB   TYR  13          HB1       TYR  13   3.981   2.752  -4.219
  101    HD1  TYR  13           HD1      TYR  13   2.639   4.655  -4.908
  102    HD2  TYR  13           HD2      TYR  13   6.782   5.107  -4.048
  103    HE1  TYR  13           HE1      TYR  13   2.621   6.858  -6.002
  104    HE2  TYR  13           HE2      TYR  13   6.774   7.311  -5.139
  105    HH   TYR  13           HH       TYR  13   3.785   8.764  -6.325
  106    H    ASP  14           HN       ASP  14   4.278   2.679   0.192
  107    HA   ASP  14           HA       ASP  14   6.982   1.720   0.416
  108   1HB   ASP  14          HB2       ASP  14   5.010   2.609   2.206
  109   2HB   ASP  14          HB1       ASP  14   5.266   0.912   2.600
  110    H    CYS  15           HN       CYS  15   4.187   0.413  -0.815
  111    HA   CYS  15           HA       CYS  15   4.141  -2.202   0.152
  112   1HB   CYS  15          HB2       CYS  15   2.602  -0.858  -1.576
  113   2HB   CYS  15          HB1       CYS  15   3.563  -1.772  -2.734
  114    H    CYS  16           HN       CYS  16   5.056  -4.125  -0.547
  115    HA   CYS  16           HA       CYS  16   7.687  -3.853  -1.730
  116   1HB   CYS  16          HB2       CYS  16   6.658  -5.483   0.227
  117   2HB   CYS  16          HB1       CYS  16   6.732  -6.568  -1.157
  118    H    LYS  17           HN       LYS  17   4.528  -4.757  -2.703
  119    HA   LYS  17           HA       LYS  17   5.559  -5.467  -5.350
  120   1HB   LYS  17          HB2       LYS  17   3.688  -7.107  -3.665
  121   2HB   LYS  17          HB1       LYS  17   3.651  -7.214  -5.419
  122   1HG   LYS  17          HG2       LYS  17   5.156  -8.842  -5.119
  123   2HG   LYS  17          HG1       LYS  17   6.299  -7.508  -4.947
  124   1HD   LYS  17          HD2       LYS  17   6.565  -7.856  -2.736
  125   2HD   LYS  17          HD1       LYS  17   4.859  -8.236  -2.490
  126   1HE   LYS  17          HE2       LYS  17   5.495 -10.423  -3.805
  127   2HE   LYS  17          HE1       LYS  17   7.120 -10.025  -3.245
  128   1HZ   LYS  17          HZ1       LYS  17   4.745 -10.760  -1.674
  129   2HZ   LYS  17          HZ2       LYS  17   5.943  -9.800  -0.965
  130   3HZ   LYS  17          HZ3       LYS  17   6.330 -11.338  -1.552
  131    H    GLY  18           HN       GLY  18   4.783  -3.047  -5.141
  132   1HA   GLY  18          HA2       GLY  18   3.078  -2.229  -6.884
  133   2HA   GLY  18          HA1       GLY  18   1.906  -2.896  -5.756
  134    H    ARG  19           HN       ARG  19   0.879  -1.075  -5.103
  135    HA   ARG  19           HA       ARG  19   2.409   0.745  -3.420
  136   1HB   ARG  19          HB2       ARG  19   1.167   2.702  -4.506
  137   2HB   ARG  19          HB1       ARG  19   2.519   2.013  -5.395
  138   1HG   ARG  19          HG2       ARG  19  -0.059   0.788  -6.023
  139   2HG   ARG  19          HG1       ARG  19   0.043   2.504  -6.419
  140   1HD   ARG  19          HD2       ARG  19   1.795   2.186  -7.910
  141   2HD   ARG  19          HD1       ARG  19   2.246   0.636  -7.200
  142    HE   ARG  19           HE       ARG  19  -0.308   0.339  -8.241
  143   1HH1  ARG  19          HH11      ARG  19   2.900   1.032  -9.412
  144   2HH1  ARG  19          HH12      ARG  19   2.627   0.314 -10.964
  145   1HH2  ARG  19          HH21      ARG  19  -0.674  -0.611 -10.280
  146   2HH2  ARG  19          HH22      ARG  19   0.595  -0.620 -11.457
  147    H    CYS  20           HN       CYS  20   0.873   2.316  -2.289
  148    HA   CYS  20           HA       CYS  20  -1.110   0.812  -0.949
  149   1HB   CYS  20          HB2       CYS  20   0.282   3.072  -0.364
  150   2HB   CYS  20          HB1       CYS  20  -1.291   3.753  -0.760
  151    H    GLY  21           HN       GLY  21  -3.157   0.437  -1.456
  152   1HA   GLY  21          HA2       GLY  21  -4.302   1.500  -3.849
  153   2HA   GLY  21          HA1       GLY  21  -5.097   0.434  -2.702
  154    H    ARG  22           HN       ARG  22  -6.791   2.104  -3.608
  155    HA   ARG  22           HA       ARG  22  -6.790   4.663  -2.296
  156   1HB   ARG  22          HB2       ARG  22  -9.151   4.773  -3.229
  157   2HB   ARG  22          HB1       ARG  22  -7.855   4.619  -4.406
  158   1HG   ARG  22          HG2       ARG  22  -8.800   2.806  -5.242
  159   2HG   ARG  22          HG1       ARG  22  -8.722   2.011  -3.668
  160   1HD   ARG  22          HD2       ARG  22 -11.011   2.068  -4.470
  161   2HD   ARG  22          HD1       ARG  22 -10.839   3.081  -3.038
  162    HE   ARG  22           HE       ARG  22 -11.449   4.876  -4.301
  163   1HH1  ARG  22          HH11      ARG  22 -10.363   2.345  -6.437
  164   2HH1  ARG  22          HH12      ARG  22 -10.797   3.200  -7.879
  165   1HH2  ARG  22          HH21      ARG  22 -12.020   6.008  -6.193
  166   2HH2  ARG  22          HH22      ARG  22 -11.736   5.283  -7.740
  167    H    ARG  23           HN       ARG  23  -7.947   1.486  -1.583
  168    HA   ARG  23           HA       ARG  23  -9.860   2.346   0.399
  169   1HB   ARG  23          HB2       ARG  23  -9.594   0.064  -1.058
  170   2HB   ARG  23          HB1       ARG  23  -8.905  -0.443   0.478
  171   1HG   ARG  23          HG2       ARG  23 -11.285   0.953   1.065
  172   2HG   ARG  23          HG1       ARG  23 -11.641  -0.163  -0.255
  173   1HD   ARG  23          HD2       ARG  23 -11.062  -2.031   0.999
  174   2HD   ARG  23          HD1       ARG  23 -10.098  -1.088   2.136
  175    HE   ARG  23           HE       ARG  23 -12.890  -0.425   2.189
  176   1HH1  ARG  23          HH11      ARG  23 -10.459  -2.610   3.402
  177   2HH1  ARG  23          HH12      ARG  23 -11.346  -3.002   4.837
  178   1HH2  ARG  23          HH21      ARG  23 -14.063  -0.938   4.074
  179   2HH2  ARG  23          HH22      ARG  23 -13.394  -2.054   5.219
  180    H    GLY  24           HN       GLY  24  -6.514   1.977   0.294
  181   1HA   GLY  24          HA2       GLY  24  -5.215   2.754   2.174
  182   2HA   GLY  24          HA1       GLY  24  -6.407   2.025   3.240
  183    H    ARG  25           HN       ARG  25  -6.193  -0.248   1.023
  184    HA   ARG  25           HA       ARG  25  -4.061  -1.664   2.460
  185   1HB   ARG  25          HB2       ARG  25  -6.294  -2.758   0.739
  186   2HB   ARG  25          HB1       ARG  25  -5.109  -3.722   1.609
  187   1HG   ARG  25          HG2       ARG  25  -6.618  -1.795   3.239
  188   2HG   ARG  25          HG1       ARG  25  -7.556  -3.125   2.554
  189   1HD   ARG  25          HD2       ARG  25  -5.550  -4.567   3.450
  190   2HD   ARG  25          HD1       ARG  25  -5.317  -3.187   4.522
  191    HE   ARG  25           HE       ARG  25  -7.190  -3.814   5.678
  192   1HH1  ARG  25          HH11      ARG  25  -7.145  -5.464   2.610
  193   2HH1  ARG  25          HH12      ARG  25  -8.484  -6.492   2.997
  194   1HH2  ARG  25          HH21      ARG  25  -8.953  -5.162   6.198
  195   2HH2  ARG  25          HH22      ARG  25  -9.511  -6.321   5.037
  196    H    CYS  26           HN       CYS  26  -2.540  -2.937   1.313
  197    HA   CYS  26           HA       CYS  26  -1.400  -1.698  -0.919
  198   1HB   CYS  26          HB2       CYS  26  -0.877  -4.057   0.713
  199   2HB   CYS  26          HB1       CYS  26  -0.422  -4.292  -0.972
  200   1HN   NH2  27          H1        CYS  26  -0.830  -3.064  -2.953
  201   2HN   NH2  27          H2        CYS  26  -2.179  -3.779  -3.760
  Start of MODEL   14
    1   1H    CYS   1           HT1      CYS   1   9.621  -4.099   4.087
    2   2H    CYS   1           HT2      CYS   1   8.771  -3.133   5.185
    3   3H    CYS   1           HT3      CYS   1   9.909  -2.433   4.150
    4    HA   CYS   1           HA       CYS   1   8.003  -1.884   3.063
    5   1HB   CYS   1          HB2       CYS   1   7.846  -3.349   1.127
    6   2HB   CYS   1          HB1       CYS   1   9.529  -3.204   1.622
    7    H    LYS   2           HN       LYS   2   5.822  -2.537   2.227
    8    HA   LYS   2           HA       LYS   2   4.344  -3.809   4.377
    9   1HB   LYS   2          HB2       LYS   2   3.128  -2.674   1.873
   10   2HB   LYS   2          HB1       LYS   2   2.414  -2.820   3.473
   11   1HG   LYS   2          HG2       LYS   2   4.805  -1.084   3.138
   12   2HG   LYS   2          HG1       LYS   2   3.243  -0.508   2.553
   13   1HD   LYS   2          HD2       LYS   2   2.284  -0.910   4.786
   14   2HD   LYS   2          HD1       LYS   2   3.871  -1.426   5.358
   15   1HE   LYS   2          HE2       LYS   2   4.628   0.909   4.446
   16   2HE   LYS   2          HE1       LYS   2   2.917   1.304   4.603
   17   1HZ   LYS   2          HZ1       LYS   2   3.490   0.116   6.966
   18   2HZ   LYS   2          HZ2       LYS   2   3.435   1.787   6.704
   19   3HZ   LYS   2          HZ3       LYS   2   4.915   0.971   6.643
   20    H    GLY   3           HN       GLY   3   2.221  -4.976   3.319
   21   1HA   GLY   3          HA2       GLY   3   3.243  -6.988   1.418
   22   2HA   GLY   3          HA1       GLY   3   2.426  -7.477   2.894
   23    H    LYS   4           HN       LYS   4   1.637  -8.152   0.234
   24    HA   LYS   4           HA       LYS   4  -0.435  -6.546  -0.763
   25   1HB   LYS   4          HB2       LYS   4   0.711  -8.486  -1.925
   26   2HB   LYS   4          HB1       LYS   4  -0.308  -9.554  -0.969
   27   1HG   LYS   4          HG2       LYS   4  -1.744  -7.443  -2.415
   28   2HG   LYS   4          HG1       LYS   4  -0.931  -8.634  -3.432
   29   1HD   LYS   4          HD2       LYS   4  -2.177 -10.403  -2.566
   30   2HD   LYS   4          HD1       LYS   4  -2.639  -9.495  -1.124
   31   1HE   LYS   4          HE2       LYS   4  -3.533  -8.222  -3.579
   32   2HE   LYS   4          HE1       LYS   4  -4.169  -9.856  -3.399
   33   1HZ   LYS   4          HZ1       LYS   4  -4.606  -7.496  -1.708
   34   2HZ   LYS   4          HZ2       LYS   4  -4.688  -9.031  -1.003
   35   3HZ   LYS   4          HZ3       LYS   4  -5.724  -8.631  -2.278
   36    H    GLY   5           HN       GLY   5  -2.511  -6.270  -0.203
   37   1HA   GLY   5          HA2       GLY   5  -4.577  -6.736   0.761
   38   2HA   GLY   5          HA1       GLY   5  -3.905  -8.221   1.419
   39    H    ALA   6           HN       ALA   6  -1.626  -6.301   2.382
   40    HA   ALA   6           HA       ALA   6  -2.780  -5.922   5.008
   41   1HB   ALA   6          HB1       ALA   6  -0.424  -6.788   4.495
   42   2HB   ALA   6          HB2       ALA   6  -0.600  -5.600   5.786
   43   3HB   ALA   6          HB3       ALA   6  -0.009  -5.099   4.201
   44    HA   PRO   7           HA       PRO   7  -3.995  -1.699   4.297
   45   1HB   PRO   7          HB2       PRO   7  -3.771  -1.456   7.238
   46   2HB   PRO   7          HB1       PRO   7  -5.164  -1.175   6.189
   47   1HG   PRO   7          HG2       PRO   7  -5.032  -3.329   7.769
   48   2HG   PRO   7          HG1       PRO   7  -5.753  -3.413   6.150
   49   1HD   PRO   7          HD2       PRO   7  -3.053  -4.316   7.073
   50   2HD   PRO   7          HD1       PRO   7  -4.177  -5.097   5.941
   51    H    CYS   8           HN       CYS   8  -2.104  -0.902   3.341
   52    HA   CYS   8           HA       CYS   8   0.157  -0.167   4.986
   53   1HB   CYS   8          HB2       CYS   8   1.095   0.721   2.863
   54   2HB   CYS   8          HB1       CYS   8   0.606  -0.965   2.745
   55    H    ARG   9           HN       ARG   9   1.065   2.160   4.357
   56    HA   ARG   9           HA       ARG   9  -0.964   3.991   5.344
   57   1HB   ARG   9          HB2       ARG   9   0.891   5.547   5.691
   58   2HB   ARG   9          HB1       ARG   9   1.239   3.983   6.417
   59   1HG   ARG   9          HG2       ARG   9   2.368   3.624   4.009
   60   2HG   ARG   9          HG1       ARG   9   2.554   5.371   4.177
   61   1HD   ARG   9          HD2       ARG   9   3.361   4.632   6.611
   62   2HD   ARG   9          HD1       ARG   9   3.783   3.165   5.728
   63    HE   ARG   9           HE       ARG   9   5.421   4.336   4.592
   64   1HH1  ARG   9          HH11      ARG   9   3.478   6.522   6.492
   65   2HH1  ARG   9          HH12      ARG   9   4.559   7.860   6.290
   66   1HH2  ARG   9          HH21      ARG   9   6.844   6.093   4.321
   67   2HH2  ARG   9          HH22      ARG   9   6.472   7.615   5.057
   68    H    LYS  10           HN       LYS  10  -1.881   5.577   4.202
   69    HA   LYS  10           HA       LYS  10  -1.587   5.589   1.351
   70   1HB   LYS  10          HB2       LYS  10  -3.243   7.215   3.271
   71   2HB   LYS  10          HB1       LYS  10  -3.235   7.540   1.543
   72   1HG   LYS  10          HG2       LYS  10  -3.844   5.058   1.283
   73   2HG   LYS  10          HG1       LYS  10  -4.253   5.131   2.999
   74   1HD   LYS  10          HD2       LYS  10  -5.357   7.107   1.022
   75   2HD   LYS  10          HD1       LYS  10  -6.132   5.547   1.308
   76   1HE   LYS  10          HE2       LYS  10  -7.091   6.309   3.162
   77   2HE   LYS  10          HE1       LYS  10  -5.528   6.800   3.813
   78   1HZ   LYS  10          HZ1       LYS  10  -5.946   8.756   2.081
   79   2HZ   LYS  10          HZ2       LYS  10  -6.477   8.825   3.685
   80   3HZ   LYS  10          HZ3       LYS  10  -7.553   8.385   2.457
   81    H    THR  11           HN       THR  11   0.795   6.318   2.791
   82    HA   THR  11           HA       THR  11   1.136   9.173   2.379
   83    HB   THR  11           HB       THR  11   2.980   7.032   3.449
   84    HG1  THR  11           HG1      THR  11   1.971   7.585   5.218
   85   1HG2  THR  11          HG21      THR  11   4.095   8.955   2.136
   86   2HG2  THR  11          HG22      THR  11   4.685   8.593   3.756
   87   3HG2  THR  11          HG23      THR  11   3.608   9.965   3.497
   88    H    MET  12           HN       MET  12   2.652   6.156   1.240
   89    HA   MET  12           HA       MET  12   3.077   7.341  -1.374
   90   1HB   MET  12          HB2       MET  12   5.511   6.690  -1.331
   91   2HB   MET  12          HB1       MET  12   5.089   8.062  -0.316
   92   1HG   MET  12          HG2       MET  12   5.849   7.046   1.494
   93   2HG   MET  12          HG1       MET  12   4.872   5.613   1.171
   94   1HE   MET  12          HE1       MET  12   8.281   7.440   0.387
   95   2HE   MET  12          HE2       MET  12   9.328   6.067   0.750
   96   3HE   MET  12          HE3       MET  12   8.216   6.677   1.976
   97    H    TYR  13           HN       TYR  13   5.176   5.210  -1.842
   98    HA   TYR  13           HA       TYR  13   3.320   2.937  -2.079
   99   1HB   TYR  13          HB2       TYR  13   5.146   2.332  -3.934
  100   2HB   TYR  13          HB1       TYR  13   3.760   3.358  -4.283
  101    HD1  TYR  13           HD1      TYR  13   7.383   3.330  -3.611
  102    HD2  TYR  13           HD2      TYR  13   4.039   5.687  -4.778
  103    HE1  TYR  13           HE1      TYR  13   8.905   5.126  -4.321
  104    HE2  TYR  13           HE2      TYR  13   5.551   7.490  -5.493
  105    HH   TYR  13           HH       TYR  13   7.784   7.892  -6.094
  106    H    ASP  14           HN       ASP  14   4.165   2.609   0.212
  107    HA   ASP  14           HA       ASP  14   6.848   1.598   0.466
  108   1HB   ASP  14          HB2       ASP  14   4.752   2.429   2.237
  109   2HB   ASP  14          HB1       ASP  14   5.287   0.816   2.700
  110    H    CYS  15           HN       CYS  15   4.010   0.325  -0.732
  111    HA   CYS  15           HA       CYS  15   3.970  -2.286   0.280
  112   1HB   CYS  15          HB2       CYS  15   3.154  -1.304  -2.462
  113   2HB   CYS  15          HB1       CYS  15   2.721  -2.865  -1.774
  114    H    CYS  16           HN       CYS  16   5.209  -4.018  -0.040
  115    HA   CYS  16           HA       CYS  16   7.691  -3.855  -1.325
  116   1HB   CYS  16          HB2       CYS  16   6.390  -5.678   0.345
  117   2HB   CYS  16          HB1       CYS  16   6.732  -6.586  -1.124
  118    H    LYS  17           HN       LYS  17   4.569  -5.010  -2.443
  119    HA   LYS  17           HA       LYS  17   5.677  -5.175  -5.155
  120   1HB   LYS  17          HB2       LYS  17   3.959  -7.150  -5.413
  121   2HB   LYS  17          HB1       LYS  17   5.575  -7.444  -4.784
  122   1HG   LYS  17          HG2       LYS  17   3.509  -6.787  -2.788
  123   2HG   LYS  17          HG1       LYS  17   3.338  -8.337  -3.613
  124   1HD   LYS  17          HD2       LYS  17   6.073  -7.823  -2.777
  125   2HD   LYS  17          HD1       LYS  17   4.942  -7.816  -1.421
  126   1HE   LYS  17          HE2       LYS  17   4.540 -10.023  -1.583
  127   2HE   LYS  17          HE1       LYS  17   4.543  -9.995  -3.345
  128   1HZ   LYS  17          HZ1       LYS  17   7.079  -9.668  -3.025
  129   2HZ   LYS  17          HZ2       LYS  17   6.414 -11.217  -2.878
  130   3HZ   LYS  17          HZ3       LYS  17   6.801 -10.329  -1.491
  131    H    GLY  18           HN       GLY  18   4.721  -3.156  -5.564
  132   1HA   GLY  18          HA2       GLY  18   2.782  -2.509  -6.972
  133   2HA   GLY  18          HA1       GLY  18   1.770  -3.227  -5.728
  134    H    ARG  19           HN       ARG  19   0.652  -1.220  -5.547
  135    HA   ARG  19           HA       ARG  19   2.095   0.708  -3.867
  136   1HB   ARG  19          HB2       ARG  19   0.326   2.323  -5.183
  137   2HB   ARG  19          HB1       ARG  19   2.030   2.161  -5.583
  138   1HG   ARG  19          HG2       ARG  19   1.411   1.556  -7.620
  139   2HG   ARG  19          HG1       ARG  19   0.773   0.066  -6.924
  140   1HD   ARG  19          HD2       ARG  19  -1.397   0.902  -6.816
  141   2HD   ARG  19          HD1       ARG  19  -0.858   2.577  -6.927
  142    HE   ARG  19           HE       ARG  19  -0.828   2.390  -9.216
  143   1HH1  ARG  19          HH11      ARG  19  -1.151  -0.776  -7.797
  144   2HH1  ARG  19          HH12      ARG  19  -1.500  -1.556  -9.304
  145   1HH2  ARG  19          HH21      ARG  19  -1.290   1.371 -11.202
  146   2HH2  ARG  19          HH22      ARG  19  -1.579  -0.337 -11.239
  147    H    CYS  20           HN       CYS  20   0.538   2.208  -2.721
  148    HA   CYS  20           HA       CYS  20  -1.410   0.619  -1.363
  149   1HB   CYS  20          HB2       CYS  20  -0.563   3.501  -1.155
  150   2HB   CYS  20          HB1       CYS  20  -1.905   2.864  -0.212
  151    H    GLY  21           HN       GLY  21  -3.636   0.793  -1.357
  152   1HA   GLY  21          HA2       GLY  21  -4.775   1.937  -3.787
  153   2HA   GLY  21          HA1       GLY  21  -5.584   0.844  -2.675
  154    H    ARG  22           HN       ARG  22  -7.194   2.710  -3.354
  155    HA   ARG  22           HA       ARG  22  -6.951   5.200  -2.025
  156   1HB   ARG  22          HB2       ARG  22  -9.069   3.762  -3.510
  157   2HB   ARG  22          HB1       ARG  22  -9.621   4.976  -2.363
  158   1HG   ARG  22          HG2       ARG  22  -8.438   6.698  -3.477
  159   2HG   ARG  22          HG1       ARG  22  -7.554   5.539  -4.470
  160   1HD   ARG  22          HD2       ARG  22  -9.333   5.162  -5.857
  161   2HD   ARG  22          HD1       ARG  22 -10.523   5.531  -4.610
  162    HE   ARG  22           HE       ARG  22  -9.335   7.920  -5.063
  163   1HH1  ARG  22          HH11      ARG  22 -10.821   5.549  -7.141
  164   2HH1  ARG  22          HH12      ARG  22 -11.342   6.714  -8.312
  165   1HH2  ARG  22          HH21      ARG  22 -10.018   9.460  -6.600
  166   2HH2  ARG  22          HH22      ARG  22 -10.886   8.937  -8.004
  167    H    ARG  23           HN       ARG  23  -7.891   2.068  -0.984
  168    HA   ARG  23           HA       ARG  23  -9.192   3.115   1.420
  169   1HB   ARG  23          HB2       ARG  23  -9.733   0.731   1.879
  170   2HB   ARG  23          HB1       ARG  23 -10.373   1.307   0.346
  171   1HG   ARG  23          HG2       ARG  23  -8.796   0.101  -0.894
  172   2HG   ARG  23          HG1       ARG  23  -7.764  -0.164   0.513
  173   1HD   ARG  23          HD2       ARG  23  -9.368  -1.670   1.475
  174   2HD   ARG  23          HD1       ARG  23 -10.543  -1.294   0.215
  175    HE   ARG  23           HE       ARG  23  -8.211  -3.015  -0.022
  176   1HH1  ARG  23          HH11      ARG  23 -10.852  -1.376  -1.598
  177   2HH1  ARG  23          HH12      ARG  23 -10.779  -2.357  -3.024
  178   1HH2  ARG  23          HH21      ARG  23  -8.108  -4.310  -1.896
  179   2HH2  ARG  23          HH22      ARG  23  -9.220  -4.025  -3.192
  180    H    GLY  24           HN       GLY  24  -6.155   2.768   0.525
  181   1HA   GLY  24          HA2       GLY  24  -4.208   2.742   1.764
  182   2HA   GLY  24          HA1       GLY  24  -5.184   2.519   3.209
  183    H    ARG  25           HN       ARG  25  -5.190   0.441   0.362
  184    HA   ARG  25           HA       ARG  25  -3.932  -1.676   1.979
  185   1HB   ARG  25          HB2       ARG  25  -6.327  -1.866   0.156
  186   2HB   ARG  25          HB1       ARG  25  -5.431  -3.276   0.704
  187   1HG   ARG  25          HG2       ARG  25  -6.333  -1.413   2.804
  188   2HG   ARG  25          HG1       ARG  25  -7.593  -2.313   1.955
  189   1HD   ARG  25          HD2       ARG  25  -5.527  -4.143   2.525
  190   2HD   ARG  25          HD1       ARG  25  -5.792  -3.205   3.994
  191    HE   ARG  25           HE       ARG  25  -7.892  -4.142   4.195
  192   1HH1  ARG  25          HH11      ARG  25  -6.487  -4.997   1.121
  193   2HH1  ARG  25          HH12      ARG  25  -7.679  -6.202   0.768
  194   1HH2  ARG  25          HH21      ARG  25  -9.464  -5.729   3.736
  195   2HH2  ARG  25          HH22      ARG  25  -9.370  -6.618   2.253
  196    H    CYS  26           HN       CYS  26  -2.302  -2.760   1.041
  197    HA   CYS  26           HA       CYS  26  -1.142  -1.833  -1.348
  198   1HB   CYS  26          HB2       CYS  26  -0.669  -4.265   0.360
  199   2HB   CYS  26          HB1       CYS  26   0.236  -4.002  -1.127
  200   1HN   NH2  27          H1        CYS  26  -0.567  -3.347  -3.193
  201   2HN   NH2  27          H2        CYS  26  -1.854  -4.294  -3.851
  Start of MODEL   15
    1   1H    CYS   1           HT1      CYS   1  10.151  -2.520   3.510
    2   2H    CYS   1           HT2      CYS   1   9.547  -4.076   3.787
    3   3H    CYS   1           HT3      CYS   1   9.064  -2.793   4.777
    4    HA   CYS   1           HA       CYS   1   8.012  -1.717   2.862
    5   1HB   CYS   1          HB2       CYS   1   7.645  -3.466   0.930
    6   2HB   CYS   1          HB1       CYS   1   9.117  -2.501   0.986
    7    H    LYS   2           HN       LYS   2   5.787  -2.278   2.215
    8    HA   LYS   2           HA       LYS   2   4.509  -3.821   4.286
    9   1HB   LYS   2          HB2       LYS   2   3.065  -2.628   1.941
   10   2HB   LYS   2          HB1       LYS   2   2.496  -2.858   3.588
   11   1HG   LYS   2          HG2       LYS   2   4.800  -1.066   3.338
   12   2HG   LYS   2          HG1       LYS   2   3.326  -0.497   2.551
   13   1HD   LYS   2          HD2       LYS   2   2.099  -0.879   4.663
   14   2HD   LYS   2          HD1       LYS   2   3.618  -1.343   5.433
   15   1HE   LYS   2          HE2       LYS   2   4.216   1.085   4.271
   16   2HE   LYS   2          HE1       LYS   2   2.558   1.307   4.823
   17   1HZ   LYS   2          HZ1       LYS   2   3.223   1.401   6.927
   18   2HZ   LYS   2          HZ2       LYS   2   4.809   1.519   6.352
   19   3HZ   LYS   2          HZ3       LYS   2   4.178   0.012   6.786
   20    H    GLY   3           HN       GLY   3   2.258  -4.772   2.910
   21   1HA   GLY   3          HA2       GLY   3   3.306  -6.699   0.965
   22   2HA   GLY   3          HA1       GLY   3   2.571  -7.322   2.434
   23    H    LYS   4           HN       LYS   4   1.689  -7.804  -0.255
   24    HA   LYS   4           HA       LYS   4  -0.502  -6.190  -0.974
   25   1HB   LYS   4          HB2       LYS   4   0.793  -8.251  -2.159
   26   2HB   LYS   4          HB1       LYS   4  -0.668  -9.070  -1.626
   27   1HG   LYS   4          HG2       LYS   4  -1.933  -7.153  -2.753
   28   2HG   LYS   4          HG1       LYS   4  -0.397  -6.779  -3.535
   29   1HD   LYS   4          HD2       LYS   4  -0.768  -8.367  -5.043
   30   2HD   LYS   4          HD1       LYS   4  -0.851  -9.576  -3.760
   31   1HE   LYS   4          HE2       LYS   4  -3.289  -8.436  -3.523
   32   2HE   LYS   4          HE1       LYS   4  -3.011  -8.241  -5.253
   33   1HZ   LYS   4          HZ1       LYS   4  -4.097 -10.401  -4.311
   34   2HZ   LYS   4          HZ2       LYS   4  -2.492 -10.857  -4.031
   35   3HZ   LYS   4          HZ3       LYS   4  -3.004 -10.484  -5.599
   36    H    GLY   5           HN       GLY   5  -2.491  -6.017  -0.166
   37   1HA   GLY   5          HA2       GLY   5  -4.505  -6.783   0.780
   38   2HA   GLY   5          HA1       GLY   5  -3.679  -8.247   1.297
   39    H    ALA   6           HN       ALA   6  -1.561  -6.047   2.200
   40    HA   ALA   6           HA       ALA   6  -2.608  -5.935   4.920
   41   1HB   ALA   6          HB1       ALA   6   0.122  -5.216   3.854
   42   2HB   ALA   6          HB2       ALA   6  -0.329  -6.754   4.590
   43   3HB   ALA   6          HB3       ALA   6  -0.342  -5.278   5.554
   44    HA   PRO   7           HA       PRO   7  -4.044  -1.753   4.410
   45   1HB   PRO   7          HB2       PRO   7  -3.636  -1.626   7.348
   46   2HB   PRO   7          HB1       PRO   7  -5.088  -1.296   6.397
   47   1HG   PRO   7          HG2       PRO   7  -4.879  -3.530   7.837
   48   2HG   PRO   7          HG1       PRO   7  -5.659  -3.538   6.244
   49   1HD   PRO   7          HD2       PRO   7  -2.923  -4.466   7.023
   50   2HD   PRO   7          HD1       PRO   7  -4.076  -5.186   5.879
   51    H    CYS   8           HN       CYS   8  -2.217  -0.891   3.355
   52    HA   CYS   8           HA       CYS   8   0.097  -0.091   4.882
   53   1HB   CYS   8          HB2       CYS   8   0.735   1.018   2.667
   54   2HB   CYS   8          HB1       CYS   8   0.599  -0.737   2.669
   55    H    ARG   9           HN       ARG   9   0.862   2.304   4.243
   56    HA   ARG   9           HA       ARG   9  -1.252   4.018   5.317
   57   1HB   ARG   9          HB2       ARG   9   0.634   5.640   5.691
   58   2HB   ARG   9          HB1       ARG   9   0.753   4.137   6.595
   59   1HG   ARG   9          HG2       ARG   9   2.526   3.365   5.334
   60   2HG   ARG   9          HG1       ARG   9   2.139   4.409   3.964
   61   1HD   ARG   9          HD2       ARG   9   2.848   6.361   5.219
   62   2HD   ARG   9          HD1       ARG   9   3.162   5.361   6.637
   63    HE   ARG   9           HE       ARG   9   4.685   4.330   4.560
   64   1HH1  ARG   9          HH11      ARG   9   4.456   7.296   6.376
   65   2HH1  ARG   9          HH12      ARG   9   6.135   7.683   6.201
   66   1HH2  ARG   9          HH21      ARG   9   6.897   4.834   4.323
   67   2HH2  ARG   9          HH22      ARG   9   7.521   6.286   5.034
   68    H    LYS  10           HN       LYS  10  -2.211   5.545   4.164
   69    HA   LYS  10           HA       LYS  10  -1.738   5.777   1.363
   70   1HB   LYS  10          HB2       LYS  10  -3.472   7.352   3.272
   71   2HB   LYS  10          HB1       LYS  10  -3.417   7.671   1.545
   72   1HG   LYS  10          HG2       LYS  10  -4.788   5.981   1.093
   73   2HG   LYS  10          HG1       LYS  10  -3.882   4.868   2.119
   74   1HD   LYS  10          HD2       LYS  10  -6.019   4.986   3.089
   75   2HD   LYS  10          HD1       LYS  10  -5.008   6.029   4.090
   76   1HE   LYS  10          HE2       LYS  10  -6.807   7.404   3.798
   77   2HE   LYS  10          HE1       LYS  10  -5.846   7.873   2.396
   78   1HZ   LYS  10          HZ1       LYS  10  -7.206   5.960   1.277
   79   2HZ   LYS  10          HZ2       LYS  10  -7.864   7.511   1.431
   80   3HZ   LYS  10          HZ3       LYS  10  -8.312   6.292   2.515
   81    H    THR  11           HN       THR  11   0.549   6.312   1.547
   82    HA   THR  11           HA       THR  11   0.949   9.212   1.731
   83    HB   THR  11           HB       THR  11   2.672   7.090   3.020
   84    HG1  THR  11           HG1      THR  11   2.239   8.650   4.844
   85   1HG2  THR  11          HG21      THR  11   3.558   9.454   1.826
   86   2HG2  THR  11          HG22      THR  11   4.441   8.432   2.960
   87   3HG2  THR  11          HG23      THR  11   3.496   9.798   3.554
   88    H    MET  12           HN       MET  12   2.506   6.133   0.881
   89    HA   MET  12           HA       MET  12   3.171   7.158  -1.747
   90   1HB   MET  12          HB2       MET  12   5.594   6.476  -1.440
   91   2HB   MET  12          HB1       MET  12   5.098   7.946  -0.613
   92   1HG   MET  12          HG2       MET  12   5.538   7.101   1.400
   93   2HG   MET  12          HG1       MET  12   4.786   5.551   1.016
   94   1HE   MET  12          HE1       MET  12   7.543   7.892   0.506
   95   2HE   MET  12          HE2       MET  12   8.674   7.013  -0.524
   96   3HE   MET  12          HE3       MET  12   8.876   6.992   1.228
   97    H    TYR  13           HN       TYR  13   5.236   5.053  -2.051
   98    HA   TYR  13           HA       TYR  13   3.427   2.735  -2.200
   99   1HB   TYR  13          HB2       TYR  13   5.841   2.642  -3.866
  100   2HB   TYR  13          HB1       TYR  13   4.169   2.293  -4.288
  101    HD1  TYR  13           HD1      TYR  13   2.615   4.342  -4.636
  102    HD2  TYR  13           HD2      TYR  13   6.863   4.568  -4.671
  103    HE1  TYR  13           HE1      TYR  13   2.485   6.459  -5.879
  104    HE2  TYR  13           HE2      TYR  13   6.745   6.687  -5.914
  105    HH   TYR  13           HH       TYR  13   4.546   8.621  -6.049
  106    H    ASP  14           HN       ASP  14   4.125   2.405   0.083
  107    HA   ASP  14           HA       ASP  14   6.842   1.549   0.523
  108   1HB   ASP  14          HB2       ASP  14   4.690   2.403   2.148
  109   2HB   ASP  14          HB1       ASP  14   5.080   0.759   2.648
  110    H    CYS  15           HN       CYS  15   3.863   0.079  -0.398
  111    HA   CYS  15           HA       CYS  15   4.179  -2.518   0.548
  112   1HB   CYS  15          HB2       CYS  15   2.181  -1.503  -0.705
  113   2HB   CYS  15          HB1       CYS  15   3.056  -1.905  -2.180
  114    H    CYS  16           HN       CYS  16   5.390  -4.231  -0.010
  115    HA   CYS  16           HA       CYS  16   7.644  -3.816  -1.732
  116   1HB   CYS  16          HB2       CYS  16   7.037  -5.512   0.405
  117   2HB   CYS  16          HB1       CYS  16   7.217  -6.583  -0.979
  118    H    LYS  17           HN       LYS  17   4.492  -4.623  -2.352
  119    HA   LYS  17           HA       LYS  17   5.244  -5.872  -4.903
  120   1HB   LYS  17          HB2       LYS  17   3.569  -6.981  -2.788
  121   2HB   LYS  17          HB1       LYS  17   2.741  -6.921  -4.338
  122   1HG   LYS  17          HG2       LYS  17   3.735  -9.013  -4.334
  123   2HG   LYS  17          HG1       LYS  17   4.856  -8.033  -5.281
  124   1HD   LYS  17          HD2       LYS  17   5.880  -7.662  -2.823
  125   2HD   LYS  17          HD1       LYS  17   5.190  -9.273  -2.619
  126   1HE   LYS  17          HE2       LYS  17   7.503  -9.429  -3.345
  127   2HE   LYS  17          HE1       LYS  17   6.422 -10.038  -4.599
  128   1HZ   LYS  17          HZ1       LYS  17   7.687  -8.708  -5.883
  129   2HZ   LYS  17          HZ2       LYS  17   8.139  -7.691  -4.609
  130   3HZ   LYS  17          HZ3       LYS  17   6.628  -7.503  -5.343
  131    H    GLY  18           HN       GLY  18   5.016  -3.419  -5.285
  132   1HA   GLY  18          HA2       GLY  18   3.629  -2.333  -6.978
  133   2HA   GLY  18          HA1       GLY  18   2.223  -2.904  -6.094
  134    H    ARG  19           HN       ARG  19   1.205  -1.323  -5.085
  135    HA   ARG  19           HA       ARG  19   2.698   0.557  -3.453
  136   1HB   ARG  19          HB2       ARG  19   1.420   2.497  -4.470
  137   2HB   ARG  19          HB1       ARG  19   2.703   1.816  -5.463
  138   1HG   ARG  19          HG2       ARG  19   0.459   0.378  -6.201
  139   2HG   ARG  19          HG1       ARG  19  -0.136   2.026  -5.985
  140   1HD   ARG  19          HD2       ARG  19   2.401   1.617  -7.484
  141   2HD   ARG  19          HD1       ARG  19   0.883   1.210  -8.282
  142    HE   ARG  19           HE       ARG  19   1.852   3.846  -7.618
  143   1HH1  ARG  19          HH11      ARG  19  -0.927   1.905  -8.428
  144   2HH1  ARG  19          HH12      ARG  19  -1.852   3.246  -9.014
  145   1HH2  ARG  19          HH21      ARG  19   0.639   5.615  -8.386
  146   2HH2  ARG  19          HH22      ARG  19  -0.963   5.354  -8.990
  147    H    CYS  20           HN       CYS  20   0.969   2.184  -2.468
  148    HA   CYS  20           HA       CYS  20  -0.873   0.541  -1.028
  149   1HB   CYS  20          HB2       CYS  20   0.427   2.767  -0.357
  150   2HB   CYS  20          HB1       CYS  20  -1.066   3.513  -0.917
  151    H    GLY  21           HN       GLY  21  -3.196   1.321  -0.721
  152   1HA   GLY  21          HA2       GLY  21  -4.342   1.852  -3.392
  153   2HA   GLY  21          HA1       GLY  21  -5.113   0.860  -2.164
  154    H    ARG  22           HN       ARG  22  -6.680   2.705  -3.196
  155    HA   ARG  22           HA       ARG  22  -6.521   5.199  -1.750
  156   1HB   ARG  22          HB2       ARG  22  -8.545   4.043  -3.663
  157   2HB   ARG  22          HB1       ARG  22  -8.791   5.580  -2.849
  158   1HG   ARG  22          HG2       ARG  22  -6.332   5.048  -4.476
  159   2HG   ARG  22          HG1       ARG  22  -7.832   5.616  -5.214
  160   1HD   ARG  22          HD2       ARG  22  -7.437   7.270  -3.004
  161   2HD   ARG  22          HD1       ARG  22  -5.838   7.083  -3.724
  162    HE   ARG  22           HE       ARG  22  -8.199   8.241  -5.024
  163   1HH1  ARG  22          HH11      ARG  22  -4.784   7.543  -5.021
  164   2HH1  ARG  22          HH12      ARG  22  -4.437   8.597  -6.350
  165   1HH2  ARG  22          HH21      ARG  22  -7.750   9.633  -6.773
  166   2HH2  ARG  22          HH22      ARG  22  -6.121   9.786  -7.344
  167    H    ARG  23           HN       ARG  23  -7.719   2.107  -1.129
  168    HA   ARG  23           HA       ARG  23  -9.798   3.023   0.700
  169   1HB   ARG  23          HB2       ARG  23  -9.066   0.448  -0.562
  170   2HB   ARG  23          HB1       ARG  23  -9.746   0.347   1.056
  171   1HG   ARG  23          HG2       ARG  23 -11.363   2.143  -0.386
  172   2HG   ARG  23          HG1       ARG  23 -11.076   0.752  -1.434
  173   1HD   ARG  23          HD2       ARG  23 -12.249  -0.653  -0.112
  174   2HD   ARG  23          HD1       ARG  23 -11.709   0.127   1.375
  175    HE   ARG  23           HE       ARG  23 -13.501   1.799  -0.050
  176   1HH1  ARG  23          HH11      ARG  23 -13.396  -1.040   1.971
  177   2HH1  ARG  23          HH12      ARG  23 -15.005  -0.826   2.575
  178   1HH2  ARG  23          HH21      ARG  23 -15.618   2.086   0.738
  179   2HH2  ARG  23          HH22      ARG  23 -16.269   0.951   1.874
  180    H    GLY  24           HN       GLY  24  -6.521   1.939   0.720
  181   1HA   GLY  24          HA2       GLY  24  -5.353   2.663   2.822
  182   2HA   GLY  24          HA1       GLY  24  -6.608   1.772   3.669
  183    H    ARG  25           HN       ARG  25  -6.272  -0.150   1.181
  184    HA   ARG  25           HA       ARG  25  -4.124  -1.709   2.450
  185   1HB   ARG  25          HB2       ARG  25  -6.400  -2.643   0.695
  186   2HB   ARG  25          HB1       ARG  25  -5.177  -3.681   1.414
  187   1HG   ARG  25          HG2       ARG  25  -6.513  -2.015   3.379
  188   2HG   ARG  25          HG1       ARG  25  -7.627  -3.058   2.495
  189   1HD   ARG  25          HD2       ARG  25  -5.861  -4.904   2.971
  190   2HD   ARG  25          HD1       ARG  25  -5.311  -3.802   4.233
  191    HE   ARG  25           HE       ARG  25  -7.356  -4.101   5.353
  192   1HH1  ARG  25          HH11      ARG  25  -7.131  -6.005   2.445
  193   2HH1  ARG  25          HH12      ARG  25  -8.439  -7.054   2.878
  194   1HH2  ARG  25          HH21      ARG  25  -9.079  -5.477   5.932
  195   2HH2  ARG  25          HH22      ARG  25  -9.546  -6.754   4.859
  196    H    CYS  26           HN       CYS  26  -2.625  -2.847   1.135
  197    HA   CYS  26           HA       CYS  26  -1.750  -1.363  -1.138
  198   1HB   CYS  26          HB2       CYS  26   0.001  -2.294   0.099
  199   2HB   CYS  26          HB1       CYS  26  -0.803  -3.854   0.246
  200   1HN   NH2  27          H1        CYS  26  -1.559  -2.085  -3.291
  201   2HN   NH2  27          H2        CYS  26  -2.591  -3.307  -3.937
  Start of MODEL   16
    1   1H    CYS   1           HT1      CYS   1  10.136  -3.001   3.890
    2   2H    CYS   1           HT2      CYS   1   9.412  -4.509   4.141
    3   3H    CYS   1           HT3      CYS   1   8.950  -3.183   5.084
    4    HA   CYS   1           HA       CYS   1   8.125  -2.069   3.066
    5   1HB   CYS   1          HB2       CYS   1   7.763  -3.658   1.107
    6   2HB   CYS   1          HB1       CYS   1   9.420  -3.132   1.383
    7    H    LYS   2           HN       LYS   2   5.918  -2.581   2.187
    8    HA   LYS   2           HA       LYS   2   4.397  -3.953   4.248
    9   1HB   LYS   2          HB2       LYS   2   3.190  -2.569   1.873
   10   2HB   LYS   2          HB1       LYS   2   2.518  -2.787   3.478
   11   1HG   LYS   2          HG2       LYS   2   4.953  -1.103   3.049
   12   2HG   LYS   2          HG1       LYS   2   3.333  -0.453   2.793
   13   1HD   LYS   2          HD2       LYS   2   2.775  -1.239   5.122
   14   2HD   LYS   2          HD1       LYS   2   4.493  -1.576   5.335
   15   1HE   LYS   2          HE2       LYS   2   4.722   0.918   4.481
   16   2HE   LYS   2          HE1       LYS   2   3.077   1.033   5.104
   17   1HZ   LYS   2          HZ1       LYS   2   5.409   1.228   6.549
   18   2HZ   LYS   2          HZ2       LYS   2   4.775  -0.286   6.958
   19   3HZ   LYS   2          HZ3       LYS   2   3.840   1.107   7.169
   20    H    GLY   3           HN       GLY   3   2.142  -4.719   2.821
   21   1HA   GLY   3          HA2       GLY   3   3.001  -6.551   0.728
   22   2HA   GLY   3          HA1       GLY   3   2.435  -7.296   2.216
   23    H    LYS   4           HN       LYS   4   1.224  -7.698  -0.289
   24    HA   LYS   4           HA       LYS   4  -1.006  -6.032  -0.738
   25   1HB   LYS   4          HB2       LYS   4   0.014  -7.791  -2.299
   26   2HB   LYS   4          HB1       LYS   4  -0.921  -8.971  -1.392
   27   1HG   LYS   4          HG2       LYS   4  -2.958  -7.558  -1.938
   28   2HG   LYS   4          HG1       LYS   4  -1.925  -6.716  -3.096
   29   1HD   LYS   4          HD2       LYS   4  -1.409  -8.935  -4.126
   30   2HD   LYS   4          HD1       LYS   4  -2.621  -9.650  -3.062
   31   1HE   LYS   4          HE2       LYS   4  -4.343  -8.828  -4.258
   32   2HE   LYS   4          HE1       LYS   4  -3.523  -7.300  -4.580
   33   1HZ   LYS   4          HZ1       LYS   4  -3.239  -9.864  -6.029
   34   2HZ   LYS   4          HZ2       LYS   4  -2.109  -8.617  -6.186
   35   3HZ   LYS   4          HZ3       LYS   4  -3.717  -8.361  -6.641
   36    H    GLY   5           HN       GLY   5  -3.125  -6.152  -0.077
   37   1HA   GLY   5          HA2       GLY   5  -4.972  -6.921   1.112
   38   2HA   GLY   5          HA1       GLY   5  -4.017  -8.293   1.654
   39    H    ALA   6           HN       ALA   6  -1.967  -6.010   2.369
   40    HA   ALA   6           HA       ALA   6  -2.981  -5.711   5.094
   41   1HB   ALA   6          HB1       ALA   6  -0.824  -6.567   5.171
   42   2HB   ALA   6          HB2       ALA   6  -0.576  -4.844   5.458
   43   3HB   ALA   6          HB3       ALA   6  -0.258  -5.528   3.864
   44    HA   PRO   7           HA       PRO   7  -3.955  -1.437   4.484
   45   1HB   PRO   7          HB2       PRO   7  -3.880  -0.570   7.046
   46   2HB   PRO   7          HB1       PRO   7  -5.178  -1.597   6.426
   47   1HG   PRO   7          HG2       PRO   7  -2.764  -2.353   8.029
   48   2HG   PRO   7          HG1       PRO   7  -4.443  -2.896   8.210
   49   1HD   PRO   7          HD2       PRO   7  -2.543  -4.381   6.963
   50   2HD   PRO   7          HD1       PRO   7  -4.258  -4.438   6.510
   51    H    CYS   8           HN       CYS   8  -2.191  -0.648   3.348
   52    HA   CYS   8           HA       CYS   8   0.276   0.003   4.698
   53   1HB   CYS   8          HB2       CYS   8   0.725   1.135   2.397
   54   2HB   CYS   8          HB1       CYS   8   0.674  -0.622   2.493
   55    H    ARG   9           HN       ARG   9   1.189   2.285   4.182
   56    HA   ARG   9           HA       ARG   9  -0.702   4.157   5.350
   57   1HB   ARG   9          HB2       ARG   9   1.292   5.640   5.558
   58   2HB   ARG   9          HB1       ARG   9   1.468   4.096   6.380
   59   1HG   ARG   9          HG2       ARG   9   2.887   3.260   4.648
   60   2HG   ARG   9          HG1       ARG   9   2.578   4.678   3.644
   61   1HD   ARG   9          HD2       ARG   9   3.589   6.065   5.486
   62   2HD   ARG   9          HD1       ARG   9   4.083   4.555   6.250
   63    HE   ARG   9           HE       ARG   9   4.967   4.630   3.566
   64   1HH1  ARG   9          HH11      ARG   9   5.626   6.013   6.697
   65   2HH1  ARG   9          HH12      ARG   9   7.304   6.287   6.364
   66   1HH2  ARG   9          HH21      ARG   9   7.172   4.986   3.122
   67   2HH2  ARG   9          HH22      ARG   9   8.182   5.705   4.332
   68    H    LYS  10           HN       LYS  10  -1.561   5.861   4.343
   69    HA   LYS  10           HA       LYS  10  -1.540   5.977   1.502
   70   1HB   LYS  10          HB2       LYS  10  -2.996   7.216   3.676
   71   2HB   LYS  10          HB1       LYS  10  -2.601   8.393   2.433
   72   1HG   LYS  10          HG2       LYS  10  -3.734   7.133   0.765
   73   2HG   LYS  10          HG1       LYS  10  -3.934   5.762   1.858
   74   1HD   LYS  10          HD2       LYS  10  -5.456   6.992   3.233
   75   2HD   LYS  10          HD1       LYS  10  -5.123   8.486   2.356
   76   1HE   LYS  10          HE2       LYS  10  -5.919   6.857   0.337
   77   2HE   LYS  10          HE1       LYS  10  -6.890   6.239   1.672
   78   1HZ   LYS  10          HZ1       LYS  10  -6.787   9.136   1.311
   79   2HZ   LYS  10          HZ2       LYS  10  -8.065   8.156   1.829
   80   3HZ   LYS  10          HZ3       LYS  10  -7.683   8.247   0.184
   81    H    THR  11           HN       THR  11   1.019   6.519   3.060
   82    HA   THR  11           HA       THR  11   1.698   9.247   2.472
   83    HB   THR  11           HB       THR  11   3.395   6.900   3.346
   84    HG1  THR  11           HG1      THR  11   2.916   9.131   4.963
   85   1HG2  THR  11          HG21      THR  11   4.297   9.229   2.143
   86   2HG2  THR  11          HG22      THR  11   5.246   8.130   3.144
   87   3HG2  THR  11          HG23      THR  11   4.478   9.543   3.869
   88    H    MET  12           HN       MET  12   2.918   6.104   1.312
   89    HA   MET  12           HA       MET  12   3.122   7.123  -1.389
   90   1HB   MET  12          HB2       MET  12   5.522   6.614  -1.591
   91   2HB   MET  12          HB1       MET  12   5.225   7.893  -0.422
   92   1HG   MET  12          HG2       MET  12   5.176   5.660   1.150
   93   2HG   MET  12          HG1       MET  12   6.392   5.243  -0.057
   94   1HE   MET  12          HE1       MET  12   8.637   6.154  -0.255
   95   2HE   MET  12          HE2       MET  12   8.657   5.287   1.281
   96   3HE   MET  12          HE3       MET  12   9.451   6.857   1.143
   97    H    TYR  13           HN       TYR  13   5.021   5.078  -2.173
   98    HA   TYR  13           HA       TYR  13   3.237   2.754  -2.023
   99   1HB   TYR  13          HB2       TYR  13   5.376   2.413  -3.916
  100   2HB   TYR  13          HB1       TYR  13   3.642   2.467  -4.206
  101    HD1  TYR  13           HD1      TYR  13   2.544   4.698  -4.603
  102    HD2  TYR  13           HD2      TYR  13   6.771   4.224  -4.511
  103    HE1  TYR  13           HE1      TYR  13   2.804   6.844  -5.773
  104    HE2  TYR  13           HE2      TYR  13   7.043   6.371  -5.678
  105    HH   TYR  13           HH       TYR  13   4.523   8.599  -6.044
  106    H    ASP  14           HN       ASP  14   4.164   2.468   0.193
  107    HA   ASP  14           HA       ASP  14   6.888   1.566   0.390
  108   1HB   ASP  14          HB2       ASP  14   5.062   2.586   2.184
  109   2HB   ASP  14          HB1       ASP  14   5.117   0.881   2.619
  110    H    CYS  15           HN       CYS  15   4.175   0.155  -0.822
  111    HA   CYS  15           HA       CYS  15   4.212  -2.432   0.284
  112   1HB   CYS  15          HB2       CYS  15   3.435  -1.706  -2.546
  113   2HB   CYS  15          HB1       CYS  15   2.897  -3.104  -1.622
  114    H    CYS  16           HN       CYS  16   5.404  -4.214  -0.132
  115    HA   CYS  16           HA       CYS  16   7.933  -3.934  -1.359
  116   1HB   CYS  16          HB2       CYS  16   6.748  -5.756   0.356
  117   2HB   CYS  16          HB1       CYS  16   7.007  -6.692  -1.112
  118    H    LYS  17           HN       LYS  17   4.859  -4.554  -2.648
  119    HA   LYS  17           HA       LYS  17   5.984  -4.924  -5.287
  120   1HB   LYS  17          HB2       LYS  17   4.349  -6.903  -5.651
  121   2HB   LYS  17          HB1       LYS  17   5.892  -7.209  -4.866
  122   1HG   LYS  17          HG2       LYS  17   3.792  -6.530  -2.975
  123   2HG   LYS  17          HG1       LYS  17   3.415  -7.960  -3.939
  124   1HD   LYS  17          HD2       LYS  17   6.076  -7.614  -2.586
  125   2HD   LYS  17          HD1       LYS  17   4.689  -8.313  -1.748
  126   1HE   LYS  17          HE2       LYS  17   5.502  -9.377  -4.418
  127   2HE   LYS  17          HE1       LYS  17   6.401  -9.855  -2.978
  128   1HZ   LYS  17          HZ1       LYS  17   3.928 -10.822  -3.903
  129   2HZ   LYS  17          HZ2       LYS  17   3.690 -10.101  -2.391
  130   3HZ   LYS  17          HZ3       LYS  17   4.829 -11.338  -2.567
  131    H    GLY  18           HN       GLY  18   4.988  -2.773  -5.312
  132   1HA   GLY  18          HA2       GLY  18   3.094  -2.079  -6.823
  133   2HA   GLY  18          HA1       GLY  18   2.060  -2.906  -5.668
  134    H    ARG  19           HN       ARG  19   0.883  -1.005  -5.270
  135    HA   ARG  19           HA       ARG  19   2.206   0.790  -3.381
  136   1HB   ARG  19          HB2       ARG  19   1.362   2.783  -4.427
  137   2HB   ARG  19          HB1       ARG  19   2.262   1.871  -5.630
  138   1HG   ARG  19          HG2       ARG  19   0.416   1.403  -6.867
  139   2HG   ARG  19          HG1       ARG  19  -0.659   1.404  -5.467
  140   1HD   ARG  19          HD2       ARG  19  -1.232   3.515  -5.852
  141   2HD   ARG  19          HD1       ARG  19   0.458   4.017  -5.828
  142    HE   ARG  19           HE       ARG  19   0.485   3.341  -8.239
  143   1HH1  ARG  19          HH11      ARG  19  -2.471   4.290  -6.659
  144   2HH1  ARG  19          HH12      ARG  19  -3.239   4.808  -8.122
  145   1HH2  ARG  19          HH21      ARG  19  -0.514   4.023 -10.170
  146   2HH2  ARG  19          HH22      ARG  19  -2.126   4.656 -10.119
  147    H    CYS  20           HN       CYS  20   0.563   2.204  -2.249
  148    HA   CYS  20           HA       CYS  20  -1.406   0.598  -1.062
  149   1HB   CYS  20          HB2       CYS  20  -0.240   3.026  -0.491
  150   2HB   CYS  20          HB1       CYS  20  -1.897   3.483  -0.873
  151    H    GLY  21           HN       GLY  21  -3.761   1.113  -0.973
  152   1HA   GLY  21          HA2       GLY  21  -4.731   1.772  -3.684
  153   2HA   GLY  21          HA1       GLY  21  -5.502   0.609  -2.616
  154    H    ARG  22           HN       ARG  22  -7.335   2.094  -3.365
  155    HA   ARG  22           HA       ARG  22  -7.541   4.685  -2.194
  156   1HB   ARG  22          HB2       ARG  22 -10.015   4.371  -2.777
  157   2HB   ARG  22          HB1       ARG  22  -8.863   4.358  -4.106
  158   1HG   ARG  22          HG2       ARG  22  -9.367   2.260  -4.671
  159   2HG   ARG  22          HG1       ARG  22  -9.365   1.710  -2.995
  160   1HD   ARG  22          HD2       ARG  22 -11.575   1.466  -3.323
  161   2HD   ARG  22          HD1       ARG  22 -11.625   3.204  -3.039
  162    HE   ARG  22           HE       ARG  22 -11.153   2.663  -5.775
  163   1HH1  ARG  22          HH11      ARG  22 -13.669   2.595  -3.364
  164   2HH1  ARG  22          HH12      ARG  22 -14.948   2.831  -4.509
  165   1HH2  ARG  22          HH21      ARG  22 -12.830   2.970  -7.287
  166   2HH2  ARG  22          HH22      ARG  22 -14.471   3.040  -6.739
  167    H    ARG  23           HN       ARG  23  -8.206   1.466  -1.111
  168    HA   ARG  23           HA       ARG  23  -9.837   2.358   1.123
  169   1HB   ARG  23          HB2       ARG  23  -9.947   0.092  -0.282
  170   2HB   ARG  23          HB1       ARG  23  -8.816  -0.433   0.958
  171   1HG   ARG  23          HG2       ARG  23 -10.552  -0.876   2.255
  172   2HG   ARG  23          HG1       ARG  23 -10.874   0.857   2.334
  173   1HD   ARG  23          HD2       ARG  23 -12.892  -0.016   1.589
  174   2HD   ARG  23          HD1       ARG  23 -12.108   0.504   0.098
  175    HE   ARG  23           HE       ARG  23 -11.713  -1.754  -0.453
  176   1HH1  ARG  23          HH11      ARG  23 -13.488  -1.375   2.522
  177   2HH1  ARG  23          HH12      ARG  23 -14.052  -3.013   2.543
  178   1HH2  ARG  23          HH21      ARG  23 -12.450  -3.910  -0.433
  179   2HH2  ARG  23          HH22      ARG  23 -13.462  -4.454   0.863
  180    H    GLY  24           HN       GLY  24  -6.567   2.010   0.419
  181   1HA   GLY  24          HA2       GLY  24  -4.892   2.762   1.936
  182   2HA   GLY  24          HA1       GLY  24  -5.913   2.248   3.271
  183    H    ARG  25           HN       ARG  25  -5.643   0.047   0.658
  184    HA   ARG  25           HA       ARG  25  -3.657  -1.524   2.166
  185   1HB   ARG  25          HB2       ARG  25  -5.942  -2.681   0.570
  186   2HB   ARG  25          HB1       ARG  25  -4.831  -3.546   1.622
  187   1HG   ARG  25          HG2       ARG  25  -6.052  -1.536   3.181
  188   2HG   ARG  25          HG1       ARG  25  -7.326  -2.337   2.258
  189   1HD   ARG  25          HD2       ARG  25  -5.687  -4.402   3.145
  190   2HD   ARG  25          HD1       ARG  25  -5.794  -3.298   4.515
  191    HE   ARG  25           HE       ARG  25  -7.986  -3.897   4.778
  192   1HH1  ARG  25          HH11      ARG  25  -6.911  -4.894   1.617
  193   2HH1  ARG  25          HH12      ARG  25  -8.359  -5.776   1.262
  194   1HH2  ARG  25          HH21      ARG  25  -9.894  -5.056   4.319
  195   2HH2  ARG  25          HH22      ARG  25 -10.053  -5.869   2.798
  196    H    CYS  26           HN       CYS  26  -2.155  -2.711   0.989
  197    HA   CYS  26           HA       CYS  26  -1.307  -1.615  -1.450
  198   1HB   CYS  26          HB2       CYS  26  -0.591  -4.208  -0.076
  199   2HB   CYS  26          HB1       CYS  26   0.205  -3.645  -1.540
  200   1HN   NH2  27          H1        CYS  26  -1.312  -2.449  -3.556
  201   2HN   NH2  27          H2        CYS  26  -2.482  -3.606  -4.086
  Start of MODEL   17
    1   1H    CYS   1           HT1      CYS   1   8.747  -3.944   5.291
    2   2H    CYS   1           HT2      CYS   1   9.544  -2.486   4.975
    3   3H    CYS   1           HT3      CYS   1   9.978  -3.887   4.131
    4    HA   CYS   1           HA       CYS   1   8.001  -1.976   3.506
    5   1HB   CYS   1          HB2       CYS   1   8.018  -3.233   1.373
    6   2HB   CYS   1          HB1       CYS   1   9.644  -2.874   1.947
    7    H    LYS   2           HN       LYS   2   5.863  -2.375   2.725
    8    HA   LYS   2           HA       LYS   2   4.418  -4.273   4.369
    9   1HB   LYS   2          HB2       LYS   2   3.378  -2.272   2.355
   10   2HB   LYS   2          HB1       LYS   2   2.411  -3.164   3.520
   11   1HG   LYS   2          HG2       LYS   2   3.003  -1.828   5.246
   12   2HG   LYS   2          HG1       LYS   2   4.626  -1.543   4.612
   13   1HD   LYS   2          HD2       LYS   2   3.596  -0.093   2.854
   14   2HD   LYS   2          HD1       LYS   2   2.054  -0.272   3.689
   15   1HE   LYS   2          HE2       LYS   2   4.514   0.734   5.089
   16   2HE   LYS   2          HE1       LYS   2   3.440   1.815   4.200
   17   1HZ   LYS   2          HZ1       LYS   2   2.702   0.100   6.509
   18   2HZ   LYS   2          HZ2       LYS   2   1.606   1.026   5.613
   19   3HZ   LYS   2          HZ3       LYS   2   2.825   1.788   6.504
   20    H    GLY   3           HN       GLY   3   2.220  -4.762   2.663
   21   1HA   GLY   3          HA2       GLY   3   3.157  -6.014   0.244
   22   2HA   GLY   3          HA1       GLY   3   2.797  -7.166   1.521
   23    H    LYS   4           HN       LYS   4   1.397  -7.471  -0.703
   24    HA   LYS   4           HA       LYS   4  -0.964  -5.958  -0.953
   25   1HB   LYS   4          HB2       LYS   4   0.144  -7.739  -2.538
   26   2HB   LYS   4          HB1       LYS   4  -0.897  -8.862  -1.672
   27   1HG   LYS   4          HG2       LYS   4  -2.855  -7.577  -2.326
   28   2HG   LYS   4          HG1       LYS   4  -1.824  -6.412  -3.159
   29   1HD   LYS   4          HD2       LYS   4  -2.459  -7.755  -4.912
   30   2HD   LYS   4          HD1       LYS   4  -0.961  -8.544  -4.419
   31   1HE   LYS   4          HE2       LYS   4  -3.261  -9.528  -2.946
   32   2HE   LYS   4          HE1       LYS   4  -3.447  -9.736  -4.687
   33   1HZ   LYS   4          HZ1       LYS   4  -1.090 -10.691  -4.571
   34   2HZ   LYS   4          HZ2       LYS   4  -2.364 -11.653  -4.013
   35   3HZ   LYS   4          HZ3       LYS   4  -1.370 -10.844  -2.909
   36    H    GLY   5           HN       GLY   5  -3.072  -6.343  -0.250
   37   1HA   GLY   5          HA2       GLY   5  -4.755  -7.196   1.088
   38   2HA   GLY   5          HA1       GLY   5  -3.700  -8.541   1.491
   39    H    ALA   6           HN       ALA   6  -1.803  -6.023   2.104
   40    HA   ALA   6           HA       ALA   6  -2.575  -5.962   4.933
   41   1HB   ALA   6          HB1       ALA   6  -0.137  -4.769   4.856
   42   2HB   ALA   6          HB2       ALA   6  -0.021  -5.876   3.488
   43   3HB   ALA   6          HB3       ALA   6  -0.398  -6.497   5.095
   44    HA   PRO   7           HA       PRO   7  -3.847  -1.739   4.574
   45   1HB   PRO   7          HB2       PRO   7  -3.682  -0.971   7.159
   46   2HB   PRO   7          HB1       PRO   7  -4.931  -2.080   6.579
   47   1HG   PRO   7          HG2       PRO   7  -2.375  -2.687   8.014
   48   2HG   PRO   7          HG1       PRO   7  -3.987  -3.385   8.254
   49   1HD   PRO   7          HD2       PRO   7  -2.015  -4.623   6.836
   50   2HD   PRO   7          HD1       PRO   7  -3.745  -4.859   6.511
   51    H    CYS   8           HN       CYS   8  -2.208  -0.790   3.372
   52    HA   CYS   8           HA       CYS   8   0.255   0.036   4.660
   53   1HB   CYS   8          HB2       CYS   8   0.785   0.995   2.413
   54   2HB   CYS   8          HB1       CYS   8   0.420  -0.728   2.377
   55    H    ARG   9           HN       ARG   9   0.976   2.363   4.263
   56    HA   ARG   9           HA       ARG   9  -1.116   4.100   5.293
   57   1HB   ARG   9          HB2       ARG   9   0.776   5.731   5.573
   58   2HB   ARG   9          HB1       ARG   9   0.955   4.231   6.472
   59   1HG   ARG   9          HG2       ARG   9   2.243   3.576   4.201
   60   2HG   ARG   9          HG1       ARG   9   2.554   5.313   4.255
   61   1HD   ARG   9          HD2       ARG   9   3.206   4.888   6.715
   62   2HD   ARG   9          HD1       ARG   9   3.310   3.195   6.235
   63    HE   ARG   9           HE       ARG   9   5.181   3.684   4.958
   64   1HH1  ARG   9          HH11      ARG   9   3.795   6.612   6.253
   65   2HH1  ARG   9          HH12      ARG   9   5.180   7.581   5.879
   66   1HH2  ARG   9          HH21      ARG   9   7.002   4.958   4.461
   67   2HH2  ARG   9          HH22      ARG   9   6.998   6.643   4.858
   68    H    LYS  10           HN       LYS  10  -2.161   5.572   4.123
   69    HA   LYS  10           HA       LYS  10  -1.747   5.755   1.308
   70   1HB   LYS  10          HB2       LYS  10  -3.491   7.374   3.177
   71   2HB   LYS  10          HB1       LYS  10  -3.526   7.512   1.424
   72   1HG   LYS  10          HG2       LYS  10  -4.111   5.082   1.328
   73   2HG   LYS  10          HG1       LYS  10  -4.272   5.119   3.086
   74   1HD   LYS  10          HD2       LYS  10  -5.739   7.303   1.992
   75   2HD   LYS  10          HD1       LYS  10  -6.191   5.832   1.127
   76   1HE   LYS  10          HE2       LYS  10  -7.658   5.753   2.886
   77   2HE   LYS  10          HE1       LYS  10  -6.313   4.823   3.544
   78   1HZ   LYS  10          HZ1       LYS  10  -5.561   7.136   4.411
   79   2HZ   LYS  10          HZ2       LYS  10  -6.756   6.274   5.243
   80   3HZ   LYS  10          HZ3       LYS  10  -7.192   7.545   4.215
   81    H    THR  11           HN       THR  11   0.501   6.385   1.394
   82    HA   THR  11           HA       THR  11   0.797   9.292   1.432
   83    HB   THR  11           HB       THR  11   2.486   7.352   3.008
   84    HG1  THR  11           HG1      THR  11   0.567   8.471   3.919
   85   1HG2  THR  11          HG21      THR  11   4.252   8.564   2.316
   86   2HG2  THR  11          HG22      THR  11   3.651   9.751   3.473
   87   3HG2  THR  11          HG23      THR  11   3.250   9.907   1.763
   88    H    MET  12           HN       MET  12   2.884   6.426   1.123
   89    HA   MET  12           HA       MET  12   3.620   7.336  -1.577
   90   1HB   MET  12          HB2       MET  12   5.923   6.533  -1.126
   91   2HB   MET  12          HB1       MET  12   5.452   7.871  -0.087
   92   1HG   MET  12          HG2       MET  12   4.875   6.151   1.665
   93   2HG   MET  12          HG1       MET  12   5.662   4.962   0.629
   94   1HE   MET  12          HE1       MET  12   5.962   8.453   1.833
   95   2HE   MET  12          HE2       MET  12   7.687   8.750   2.050
   96   3HE   MET  12          HE3       MET  12   6.749   8.007   3.347
   97    H    TYR  13           HN       TYR  13   5.507   5.015  -1.675
   98    HA   TYR  13           HA       TYR  13   3.532   2.852  -1.980
   99   1HB   TYR  13          HB2       TYR  13   5.405   2.186  -3.823
  100   2HB   TYR  13          HB1       TYR  13   3.955   3.112  -4.194
  101    HD1  TYR  13           HD1      TYR  13   4.095   5.374  -4.901
  102    HD2  TYR  13           HD2      TYR  13   7.573   3.381  -3.474
  103    HE1  TYR  13           HE1      TYR  13   5.486   7.229  -5.719
  104    HE2  TYR  13           HE2      TYR  13   8.974   5.232  -4.288
  105    HH   TYR  13           HH       TYR  13   8.915   7.030  -5.867
  106    H    ASP  14           HN       ASP  14   4.400   2.577   0.310
  107    HA   ASP  14           HA       ASP  14   7.050   1.490   0.563
  108   1HB   ASP  14          HB2       ASP  14   5.144   2.576   2.315
  109   2HB   ASP  14          HB1       ASP  14   5.326   0.895   2.804
  110    H    CYS  15           HN       CYS  15   4.249   0.245  -0.660
  111    HA   CYS  15           HA       CYS  15   4.191  -2.345   0.489
  112   1HB   CYS  15          HB2       CYS  15   3.245  -1.509  -2.261
  113   2HB   CYS  15          HB1       CYS  15   2.752  -2.951  -1.378
  114    H    CYS  16           HN       CYS  16   5.353  -4.132   0.068
  115    HA   CYS  16           HA       CYS  16   7.698  -3.920  -1.559
  116   1HB   CYS  16          HB2       CYS  16   6.812  -5.574   0.558
  117   2HB   CYS  16          HB1       CYS  16   7.155  -6.634  -0.804
  118    H    LYS  17           HN       LYS  17   4.578  -4.410  -2.391
  119    HA   LYS  17           HA       LYS  17   5.313  -5.533  -4.952
  120   1HB   LYS  17          HB2       LYS  17   3.242  -7.156  -4.636
  121   2HB   LYS  17          HB1       LYS  17   4.866  -7.632  -4.156
  122   1HG   LYS  17          HG2       LYS  17   3.482  -6.248  -2.026
  123   2HG   LYS  17          HG1       LYS  17   2.591  -7.666  -2.582
  124   1HD   LYS  17          HD2       LYS  17   5.361  -8.330  -2.396
  125   2HD   LYS  17          HD1       LYS  17   4.855  -7.569  -0.885
  126   1HE   LYS  17          HE2       LYS  17   2.817  -9.172  -1.068
  127   2HE   LYS  17          HE1       LYS  17   3.847 -10.072  -2.180
  128   1HZ   LYS  17          HZ1       LYS  17   5.460  -9.586  -0.041
  129   2HZ   LYS  17          HZ2       LYS  17   4.659 -11.040  -0.366
  130   3HZ   LYS  17          HZ3       LYS  17   3.960  -9.907   0.676
  131    H    GLY  18           HN       GLY  18   4.666  -3.498  -5.714
  132   1HA   GLY  18          HA2       GLY  18   2.865  -2.613  -7.061
  133   2HA   GLY  18          HA1       GLY  18   1.738  -3.170  -5.833
  134    H    ARG  19           HN       ARG  19   0.765  -1.308  -5.241
  135    HA   ARG  19           HA       ARG  19   2.389   0.614  -3.784
  136   1HB   ARG  19          HB2       ARG  19   0.710   2.327  -5.125
  137   2HB   ARG  19          HB1       ARG  19   2.412   2.076  -5.487
  138   1HG   ARG  19          HG2       ARG  19   1.670   0.246  -7.066
  139   2HG   ARG  19          HG1       ARG  19   0.027   0.852  -6.841
  140   1HD   ARG  19          HD2       ARG  19   2.387   2.405  -7.897
  141   2HD   ARG  19          HD1       ARG  19   1.019   1.812  -8.838
  142    HE   ARG  19           HE       ARG  19  -0.367   3.346  -7.432
  143   1HH1  ARG  19          HH11      ARG  19   3.031   3.946  -7.922
  144   2HH1  ARG  19          HH12      ARG  19   2.898   5.653  -7.665
  145   1HH2  ARG  19          HH21      ARG  19  -0.550   5.593  -7.092
  146   2HH2  ARG  19          HH22      ARG  19   0.862   6.590  -7.193
  147    H    CYS  20           HN       CYS  20   1.087   2.084  -2.468
  148    HA   CYS  20           HA       CYS  20  -0.927   0.750  -1.063
  149   1HB   CYS  20          HB2       CYS  20   0.577   2.862  -0.478
  150   2HB   CYS  20          HB1       CYS  20  -0.857   3.731  -1.016
  151    H    GLY  21           HN       GLY  21  -3.173   1.047  -0.947
  152   1HA   GLY  21          HA2       GLY  21  -4.335   2.074  -3.453
  153   2HA   GLY  21          HA1       GLY  21  -5.073   0.863  -2.415
  154    H    ARG  22           HN       ARG  22  -6.593   2.935  -3.257
  155    HA   ARG  22           HA       ARG  22  -6.589   5.141  -1.445
  156   1HB   ARG  22          HB2       ARG  22  -9.021   4.290  -2.980
  157   2HB   ARG  22          HB1       ARG  22  -8.474   5.913  -2.585
  158   1HG   ARG  22          HG2       ARG  22  -7.276   6.081  -4.455
  159   2HG   ARG  22          HG1       ARG  22  -6.598   4.462  -4.273
  160   1HD   ARG  22          HD2       ARG  22  -8.072   4.900  -6.312
  161   2HD   ARG  22          HD1       ARG  22  -8.410   3.456  -5.359
  162    HE   ARG  22           HE       ARG  22 -10.241   4.772  -4.318
  163   1HH1  ARG  22          HH11      ARG  22  -9.002   5.680  -7.446
  164   2HH1  ARG  22          HH12      ARG  22 -10.463   6.467  -7.939
  165   1HH2  ARG  22          HH21      ARG  22 -12.170   5.805  -4.962
  166   2HH2  ARG  22          HH22      ARG  22 -12.263   6.539  -6.528
  167    H    ARG  23           HN       ARG  23  -7.701   1.929  -1.274
  168    HA   ARG  23           HA       ARG  23  -9.784   2.420   0.664
  169   1HB   ARG  23          HB2       ARG  23  -8.634   0.037  -0.695
  170   2HB   ARG  23          HB1       ARG  23  -9.422  -0.221   0.856
  171   1HG   ARG  23          HG2       ARG  23 -10.852   1.372  -1.204
  172   2HG   ARG  23          HG1       ARG  23 -10.749  -0.377  -1.408
  173   1HD   ARG  23          HD2       ARG  23 -11.681  -0.662   0.861
  174   2HD   ARG  23          HD1       ARG  23 -11.849   1.088   0.987
  175    HE   ARG  23           HE       ARG  23 -13.375   0.866  -1.002
  176   1HH1  ARG  23          HH11      ARG  23 -12.894  -1.746   1.255
  177   2HH1  ARG  23          HH12      ARG  23 -14.445  -2.458   0.957
  178   1HH2  ARG  23          HH21      ARG  23 -15.418  -0.065  -1.398
  179   2HH2  ARG  23          HH22      ARG  23 -15.880  -1.503  -0.550
  180    H    GLY  24           HN       GLY  24  -6.402   2.065   0.710
  181   1HA   GLY  24          HA2       GLY  24  -5.244   2.646   2.757
  182   2HA   GLY  24          HA1       GLY  24  -6.488   1.777   3.644
  183    H    ARG  25           HN       ARG  25  -5.782   0.000   0.945
  184    HA   ARG  25           HA       ARG  25  -3.663  -1.518   2.316
  185   1HB   ARG  25          HB2       ARG  25  -5.825  -2.838   0.692
  186   2HB   ARG  25          HB1       ARG  25  -4.701  -3.580   1.822
  187   1HG   ARG  25          HG2       ARG  25  -6.300  -1.594   3.151
  188   2HG   ARG  25          HG1       ARG  25  -7.321  -2.769   2.318
  189   1HD   ARG  25          HD2       ARG  25  -5.361  -4.319   3.499
  190   2HD   ARG  25          HD1       ARG  25  -5.688  -3.074   4.703
  191    HE   ARG  25           HE       ARG  25  -7.775  -3.977   5.035
  192   1HH1  ARG  25          HH11      ARG  25  -6.344  -5.371   2.179
  193   2HH1  ARG  25          HH12      ARG  25  -7.560  -6.594   2.011
  194   1HH2  ARG  25          HH21      ARG  25  -9.378  -5.582   4.820
  195   2HH2  ARG  25          HH22      ARG  25  -9.284  -6.713   3.511
  196    H    CYS  26           HN       CYS  26  -2.244  -2.718   0.955
  197    HA   CYS  26           HA       CYS  26  -1.468  -1.364  -1.387
  198   1HB   CYS  26          HB2       CYS  26  -0.717  -4.142  -0.452
  199   2HB   CYS  26          HB1       CYS  26   0.118  -3.230  -1.705
  200   1HN   NH2  27          H1        CYS  26  -1.032  -2.772  -3.464
  201   2HN   NH2  27          H2        CYS  26  -2.429  -3.566  -4.097
  Start of MODEL   18
    1   1H    CYS   1           HT1      CYS   1   9.451  -2.713   5.039
    2   2H    CYS   1           HT2      CYS   1  10.305  -3.556   3.846
    3   3H    CYS   1           HT3      CYS   1   9.140  -4.355   4.774
    4    HA   CYS   1           HA       CYS   1   8.201  -2.026   3.333
    5   1HB   CYS   1          HB2       CYS   1   8.023  -3.398   1.219
    6   2HB   CYS   1          HB1       CYS   1   9.655  -2.885   1.638
    7    H    LYS   2           HN       LYS   2   6.023  -2.399   2.577
    8    HA   LYS   2           HA       LYS   2   4.570  -4.169   4.345
    9   1HB   LYS   2          HB2       LYS   2   3.584  -2.216   2.256
   10   2HB   LYS   2          HB1       LYS   2   2.566  -3.073   3.406
   11   1HG   LYS   2          HG2       LYS   2   3.310  -1.821   5.201
   12   2HG   LYS   2          HG1       LYS   2   4.804  -1.353   4.385
   13   1HD   LYS   2          HD2       LYS   2   3.472   0.026   2.821
   14   2HD   LYS   2          HD1       LYS   2   2.020  -0.387   3.735
   15   1HE   LYS   2          HE2       LYS   2   4.334   0.752   5.213
   16   2HE   LYS   2          HE1       LYS   2   3.383   1.837   4.198
   17   1HZ   LYS   2          HZ1       LYS   2   2.695   1.579   6.618
   18   2HZ   LYS   2          HZ2       LYS   2   2.099   0.058   6.178
   19   3HZ   LYS   2          HZ3       LYS   2   1.475   1.452   5.451
   20    H    GLY   3           HN       GLY   3   2.334  -4.781   2.791
   21   1HA   GLY   3          HA2       GLY   3   3.235  -6.206   0.428
   22   2HA   GLY   3          HA1       GLY   3   2.776  -7.230   1.778
   23    H    LYS   4           HN       LYS   4   1.524  -7.233  -0.753
   24    HA   LYS   4           HA       LYS   4  -0.833  -5.704  -0.844
   25   1HB   LYS   4          HB2       LYS   4   0.013  -6.834  -2.815
   26   2HB   LYS   4          HB1       LYS   4  -0.201  -8.403  -2.049
   27   1HG   LYS   4          HG2       LYS   4  -2.647  -7.947  -1.963
   28   2HG   LYS   4          HG1       LYS   4  -2.355  -6.487  -2.910
   29   1HD   LYS   4          HD2       LYS   4  -2.770  -7.882  -4.645
   30   2HD   LYS   4          HD1       LYS   4  -1.063  -8.278  -4.435
   31   1HE   LYS   4          HE2       LYS   4  -1.959 -10.381  -4.450
   32   2HE   LYS   4          HE1       LYS   4  -2.027 -10.030  -2.724
   33   1HZ   LYS   4          HZ1       LYS   4  -4.318  -9.388  -4.463
   34   2HZ   LYS   4          HZ2       LYS   4  -4.296  -9.685  -2.798
   35   3HZ   LYS   4          HZ3       LYS   4  -4.103 -10.964  -3.886
   36    H    GLY   5           HN       GLY   5  -2.831  -5.975   0.005
   37   1HA   GLY   5          HA2       GLY   5  -4.604  -7.250   0.949
   38   2HA   GLY   5          HA1       GLY   5  -3.431  -8.465   1.437
   39    H    ALA   6           HN       ALA   6  -1.687  -6.148   2.400
   40    HA   ALA   6           HA       ALA   6  -2.890  -6.014   5.060
   41   1HB   ALA   6          HB1       ALA   6  -0.758  -6.587   5.506
   42   2HB   ALA   6          HB2       ALA   6  -0.462  -4.855   5.357
   43   3HB   ALA   6          HB3       ALA   6  -0.152  -5.923   3.988
   44    HA   PRO   7           HA       PRO   7  -4.118  -1.793   4.642
   45   1HB   PRO   7          HB2       PRO   7  -3.899  -0.953   7.226
   46   2HB   PRO   7          HB1       PRO   7  -5.209  -1.987   6.648
   47   1HG   PRO   7          HG2       PRO   7  -2.712  -2.735   8.115
   48   2HG   PRO   7          HG1       PRO   7  -4.366  -3.332   8.340
   49   1HD   PRO   7          HD2       PRO   7  -2.486  -4.730   6.986
   50   2HD   PRO   7          HD1       PRO   7  -4.211  -4.805   6.576
   51    H    CYS   8           HN       CYS   8  -2.357  -1.049   3.379
   52    HA   CYS   8           HA       CYS   8   0.073  -0.156   4.642
   53   1HB   CYS   8          HB2       CYS   8   0.599   0.749   2.364
   54   2HB   CYS   8          HB1       CYS   8   0.245  -0.976   2.389
   55    H    ARG   9           HN       ARG   9   0.822   2.164   4.021
   56    HA   ARG   9           HA       ARG   9  -1.259   3.968   5.013
   57   1HB   ARG   9          HB2       ARG   9   0.674   5.538   5.378
   58   2HB   ARG   9          HB1       ARG   9   0.731   4.056   6.323
   59   1HG   ARG   9          HG2       ARG   9   2.572   3.287   5.262
   60   2HG   ARG   9          HG1       ARG   9   2.118   4.008   3.717
   61   1HD   ARG   9          HD2       ARG   9   3.047   6.045   4.240
   62   2HD   ARG   9          HD1       ARG   9   2.874   5.797   5.977
   63    HE   ARG   9           HE       ARG   9   4.710   3.931   4.965
   64   1HH1  ARG   9          HH11      ARG   9   4.418   7.356   5.539
   65   2HH1  ARG   9          HH12      ARG   9   6.117   7.590   5.780
   66   1HH2  ARG   9          HH21      ARG   9   6.946   4.230   5.283
   67   2HH2  ARG   9          HH22      ARG   9   7.554   5.814   5.633
   68    H    LYS  10           HN       LYS  10  -2.170   5.456   3.770
   69    HA   LYS  10           HA       LYS  10  -1.534   5.605   0.982
   70   1HB   LYS  10          HB2       LYS  10  -3.450   7.208   2.688
   71   2HB   LYS  10          HB1       LYS  10  -3.327   7.351   0.939
   72   1HG   LYS  10          HG2       LYS  10  -4.080   5.104   0.633
   73   2HG   LYS  10          HG1       LYS  10  -4.000   4.790   2.369
   74   1HD   LYS  10          HD2       LYS  10  -5.625   7.057   2.069
   75   2HD   LYS  10          HD1       LYS  10  -6.139   5.925   0.817
   76   1HE   LYS  10          HE2       LYS  10  -7.324   5.707   3.024
   77   2HE   LYS  10          HE1       LYS  10  -6.585   4.227   2.411
   78   1HZ   LYS  10          HZ1       LYS  10  -6.188   5.398   4.882
   79   2HZ   LYS  10          HZ2       LYS  10  -4.749   5.650   4.029
   80   3HZ   LYS  10          HZ3       LYS  10  -5.349   4.082   4.227
   81    H    THR  11           HN       THR  11   0.749   6.236   1.528
   82    HA   THR  11           HA       THR  11   0.970   9.170   1.575
   83    HB   THR  11           HB       THR  11   2.762   7.193   3.000
   84    HG1  THR  11           HG1      THR  11   1.174   9.339   4.011
   85   1HG2  THR  11          HG21      THR  11   3.266   9.986   3.559
   86   2HG2  THR  11          HG22      THR  11   3.506   9.617   1.851
   87   3HG2  THR  11          HG23      THR  11   4.389   8.714   3.081
   88    H    MET  12           HN       MET  12   2.774   6.172   0.925
   89    HA   MET  12           HA       MET  12   3.601   7.239  -1.654
   90   1HB   MET  12          HB2       MET  12   5.985   6.613  -1.177
   91   2HB   MET  12          HB1       MET  12   5.398   8.001  -0.272
   92   1HG   MET  12          HG2       MET  12   4.862   5.761   1.324
   93   2HG   MET  12          HG1       MET  12   6.492   5.534   0.686
   94   1HE   MET  12          HE1       MET  12   8.688   7.190   1.685
   95   2HE   MET  12          HE2       MET  12   7.974   5.695   2.291
   96   3HE   MET  12          HE3       MET  12   8.318   7.022   3.401
   97    H    TYR  13           HN       TYR  13   5.663   5.199  -1.921
   98    HA   TYR  13           HA       TYR  13   3.914   2.863  -2.279
   99   1HB   TYR  13          HB2       TYR  13   6.093   2.292  -3.800
  100   2HB   TYR  13          HB1       TYR  13   4.659   3.115  -4.406
  101    HD1  TYR  13           HD1      TYR  13   4.728   5.433  -5.015
  102    HD2  TYR  13           HD2      TYR  13   8.130   3.576  -3.262
  103    HE1  TYR  13           HE1      TYR  13   6.103   7.371  -5.648
  104    HE2  TYR  13           HE2      TYR  13   9.515   5.509  -3.887
  105    HH   TYR  13           HH       TYR  13   8.959   7.542  -6.068
  106    H    ASP  14           HN       ASP  14   4.459   2.693   0.136
  107    HA   ASP  14           HA       ASP  14   7.076   1.695   0.789
  108   1HB   ASP  14          HB2       ASP  14   4.795   2.656   2.217
  109   2HB   ASP  14          HB1       ASP  14   5.200   1.057   2.832
  110    H    CYS  15           HN       CYS  15   4.460   0.355  -0.737
  111    HA   CYS  15           HA       CYS  15   4.422  -2.241   0.441
  112   1HB   CYS  15          HB2       CYS  15   3.323  -1.033  -2.072
  113   2HB   CYS  15          HB1       CYS  15   3.324  -2.783  -1.878
  114    H    CYS  16           HN       CYS  16   5.497  -4.080  -0.114
  115    HA   CYS  16           HA       CYS  16   7.963  -3.778  -1.547
  116   1HB   CYS  16          HB2       CYS  16   6.987  -5.516   0.415
  117   2HB   CYS  16          HB1       CYS  16   7.238  -6.531  -1.000
  118    H    LYS  17           HN       LYS  17   4.792  -4.541  -2.427
  119    HA   LYS  17           HA       LYS  17   5.658  -5.223  -5.115
  120   1HB   LYS  17          HB2       LYS  17   3.794  -7.091  -5.025
  121   2HB   LYS  17          HB1       LYS  17   5.448  -7.435  -4.535
  122   1HG   LYS  17          HG2       LYS  17   3.747  -6.443  -2.375
  123   2HG   LYS  17          HG1       LYS  17   3.226  -7.982  -3.065
  124   1HD   LYS  17          HD2       LYS  17   6.114  -7.663  -2.473
  125   2HD   LYS  17          HD1       LYS  17   5.020  -7.824  -1.097
  126   1HE   LYS  17          HE2       LYS  17   4.391  -9.961  -1.676
  127   2HE   LYS  17          HE1       LYS  17   4.768  -9.723  -3.381
  128   1HZ   LYS  17          HZ1       LYS  17   7.060  -9.526  -1.655
  129   2HZ   LYS  17          HZ2       LYS  17   6.856 -10.408  -3.084
  130   3HZ   LYS  17          HZ3       LYS  17   6.320 -11.047  -1.612
  131    H    GLY  18           HN       GLY  18   4.774  -3.298  -5.809
  132   1HA   GLY  18          HA2       GLY  18   2.858  -2.510  -7.042
  133   2HA   GLY  18          HA1       GLY  18   1.828  -3.231  -5.815
  134    H    ARG  19           HN       ARG  19   0.762  -1.153  -5.725
  135    HA   ARG  19           HA       ARG  19   2.228   0.742  -4.015
  136   1HB   ARG  19          HB2       ARG  19   0.199   1.516  -6.117
  137   2HB   ARG  19          HB1       ARG  19   1.141   2.605  -5.109
  138   1HG   ARG  19          HG2       ARG  19   3.113   2.171  -6.269
  139   2HG   ARG  19          HG1       ARG  19   2.479   0.683  -6.975
  140   1HD   ARG  19          HD2       ARG  19   1.787   1.804  -8.761
  141   2HD   ARG  19          HD1       ARG  19   0.787   2.838  -7.742
  142    HE   ARG  19           HE       ARG  19   3.593   3.404  -8.448
  143   1HH1  ARG  19          HH11      ARG  19   0.379   4.441  -7.594
  144   2HH1  ARG  19          HH12      ARG  19   0.740   6.128  -7.760
  145   1HH2  ARG  19          HH21      ARG  19   4.077   5.623  -8.672
  146   2HH2  ARG  19          HH22      ARG  19   2.840   6.798  -8.372
  147    H    CYS  20           HN       CYS  20   0.913   1.973  -2.549
  148    HA   CYS  20           HA       CYS  20  -0.979   0.471  -1.163
  149   1HB   CYS  20          HB2       CYS  20   0.414   2.559  -0.442
  150   2HB   CYS  20          HB1       CYS  20  -0.972   3.469  -1.029
  151    H    GLY  21           HN       GLY  21  -3.256   1.117  -0.714
  152   1HA   GLY  21          HA2       GLY  21  -4.590   1.801  -3.254
  153   2HA   GLY  21          HA1       GLY  21  -5.274   0.771  -2.006
  154    H    ARG  22           HN       ARG  22  -6.544   3.024  -3.205
  155    HA   ARG  22           HA       ARG  22  -6.393   5.278  -1.464
  156   1HB   ARG  22          HB2       ARG  22  -8.101   4.434  -3.742
  157   2HB   ARG  22          HB1       ARG  22  -8.778   5.626  -2.640
  158   1HG   ARG  22          HG2       ARG  22  -7.723   7.157  -3.851
  159   2HG   ARG  22          HG1       ARG  22  -6.227   6.565  -3.125
  160   1HD   ARG  22          HD2       ARG  22  -5.772   5.162  -4.963
  161   2HD   ARG  22          HD1       ARG  22  -7.408   5.329  -5.597
  162    HE   ARG  22           HE       ARG  22  -6.555   7.843  -5.739
  163   1HH1  ARG  22          HH11      ARG  22  -4.985   4.868  -6.653
  164   2HH1  ARG  22          HH12      ARG  22  -4.056   5.598  -7.919
  165   1HH2  ARG  22          HH21      ARG  22  -5.335   8.811  -7.404
  166   2HH2  ARG  22          HH22      ARG  22  -4.253   7.839  -8.344
  167    H    ARG  23           HN       ARG  23  -7.702   2.226  -1.091
  168    HA   ARG  23           HA       ARG  23  -9.884   3.068   0.649
  169   1HB   ARG  23          HB2       ARG  23  -9.409   0.810  -0.974
  170   2HB   ARG  23          HB1       ARG  23  -9.395   0.229   0.685
  171   1HG   ARG  23          HG2       ARG  23 -11.614   0.019   0.047
  172   2HG   ARG  23          HG1       ARG  23 -11.587   1.534   0.951
  173   1HD   ARG  23          HD2       ARG  23 -11.177   2.605  -1.386
  174   2HD   ARG  23          HD1       ARG  23 -11.836   1.087  -1.996
  175    HE   ARG  23           HE       ARG  23 -13.918   1.664  -1.141
  176   1HH1  ARG  23          HH11      ARG  23 -11.505   4.006  -0.223
  177   2HH1  ARG  23          HH12      ARG  23 -12.662   5.186   0.293
  178   1HH2  ARG  23          HH21      ARG  23 -15.446   3.213  -0.463
  179   2HH2  ARG  23          HH22      ARG  23 -14.902   4.736   0.157
  180    H    GLY  24           HN       GLY  24  -6.635   1.845   0.807
  181   1HA   GLY  24          HA2       GLY  24  -5.589   2.527   3.014
  182   2HA   GLY  24          HA1       GLY  24  -6.884   1.586   3.737
  183    H    ARG  25           HN       ARG  25  -6.492  -0.281   1.279
  184    HA   ARG  25           HA       ARG  25  -4.411  -1.891   2.574
  185   1HB   ARG  25          HB2       ARG  25  -6.924  -2.566   1.688
  186   2HB   ARG  25          HB1       ARG  25  -5.891  -3.149   0.396
  187   1HG   ARG  25          HG2       ARG  25  -5.809  -4.988   1.686
  188   2HG   ARG  25          HG1       ARG  25  -4.532  -4.086   2.502
  189   1HD   ARG  25          HD2       ARG  25  -5.977  -4.925   4.190
  190   2HD   ARG  25          HD1       ARG  25  -6.291  -3.195   4.055
  191    HE   ARG  25           HE       ARG  25  -8.134  -4.310   2.407
  192   1HH1  ARG  25          HH11      ARG  25  -7.262  -4.809   5.743
  193   2HH1  ARG  25          HH12      ARG  25  -8.856  -5.286   6.222
  194   1HH2  ARG  25          HH21      ARG  25 -10.235  -4.940   3.028
  195   2HH2  ARG  25          HH22      ARG  25 -10.546  -5.362   4.679
  196    H    CYS  26           HN       CYS  26  -3.134  -3.282   1.114
  197    HA   CYS  26           HA       CYS  26  -1.899  -1.608  -0.928
  198   1HB   CYS  26          HB2       CYS  26  -0.536  -2.774   0.824
  199   2HB   CYS  26          HB1       CYS  26  -0.998  -4.308   0.095
  200   1HN   NH2  27          H1        CYS  26  -1.171  -2.679  -2.968
  201   2HN   NH2  27          H2        CYS  26  -2.268  -3.761  -3.747