*HEADER    TRANSPORT PROTEIN                       02-DEC-04   1Y58              
*TITLE     THE STRUCTURE OF A LACTOFERRICINB DERIVATIVE BOUND TO                 
*TITLE    2 MICELLES                                                             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: LACTOTRANSFERRIN;                                          
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 FRAGMENT: RESIDUES 4-14;                                             
*COMPND   5 SYNONYM: LACTOFERRIN, LACTOFERRICIN B,  LFCIN B;                     
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 OTHER_DETAILS: THIS SEQUENCE IS DERIVED FROM RESIDUES 4-14           
*SOURCE   4 OF LACTOFERRICINB (BOVINE).                                          
*KEYWDS    MICELLE-BOUND, DISULFIDE-LINKED, PEPTIDE, AMIDATED C-                 
*KEYWDS   2 TERMINUS                                                             
*EXPDTA    NMR, 20 STRUCTURES                                                    
*AUTHOR    L.T.NGUYEN, D.J.SCHIBLI, H.J.VOGEL                                    
*REVDAT   1   22-MAR-05 1Y58    0                                                

 ASSI {    1}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 4    and name HZ2 ))
      2.900     1.000     1.000 peak     1 spectrum    1 weight  0.10000E+01 volume  0.24468E-02 ppm1      9.886 ppm2      7.375 CV     1
 ASSI {    1}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 4    and name HD1 ))
      2.300     0.600     0.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.50729E-02 ppm1      9.886 ppm2      7.172 CV     1
 ASSI {    2}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 2    and name HE  ))
      4.500     2.600     1.500 peak     2 spectrum    1 weight  0.10000E+01 volume  0.29825E-03 ppm1      9.886 ppm2      7.113 CV     1
 ASSI {    4}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 2    and name HD1 ))
      4.800     2.900     1.200 peak     4 spectrum    1 weight  0.10000E+01 volume  0.16461E-03 ppm1      9.884 ppm2      3.149 CV     1
 ASSI {    5}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 3    and name HD1 ))
      6.000     4.500     0.000 peak     5 spectrum    1 weight  0.10000E+01 volume  0.85484E-04 ppm1      9.887 ppm2      3.102 CV     1
 ASSI {   12}
   (( segid "    " and resid 6    and name HE1 ))
   (( segid "    " and resid 4    and name HB2 ))
      5.600     4.000     0.400 peak    12 spectrum    1 weight  0.10000E+01 volume  0.28026E-03 ppm1      9.854 ppm2      3.044 CV     1
 ASSI {   14}
   (( segid "    " and resid 6    and name HE1 ))
   (( segid "    " and resid 4    and name HB1 ))
      6.000     4.900     0.000 peak    14 spectrum    1 weight  0.10000E+01 volume  0.84435E-04 ppm1      9.855 ppm2      3.343 CV     1
 ASSI {   15}
   (( segid "    " and resid 6    and name HE1 ))
   (( segid "    " and resid 3    and name HA  ))
      5.000     3.100     1.000 peak    15 spectrum    1 weight  0.10000E+01 volume  0.95180E-04 ppm1      9.853 ppm2      3.953 CV     1
 ASSI {   16}
   (( segid "    " and resid 6    and name HE1 ))
   (( segid "    " and resid 6    and name HZ3 ))
      5.300     3.600     0.700 peak    16 spectrum    1 weight  0.10000E+01 volume  0.18897E-03 ppm1      9.855 ppm2      7.051 CV     1
 ASSI {   18}
   (( segid "    " and resid 6    and name HE1 ))
   (( segid "    " and resid 6    and name HD1 ))
      2.600     0.800     0.800 peak    18 spectrum    1 weight  0.10000E+01 volume  0.53413E-02 ppm1      9.854 ppm2      7.327 CV     1
 ASSI {   23}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HA  ))
      2.900     1.100     1.100 peak    23 spectrum    1 weight  0.10000E+01 volume  0.59844E-02 ppm1      8.697 ppm2      4.354 CV     1
 ASSI {   24}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB2 ))
      3.700     1.800     1.800 peak    24 spectrum    1 weight  0.10000E+01 volume  0.18911E-02 ppm1      8.696 ppm2      3.239 CV     1
 ASSI {   29}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HG1 ))
      3.200     3.200     2.800 peak    29 spectrum    1 weight  0.10000E+01 volume  0.47066E-02 ppm1      8.696 ppm2      1.643 CV     1
 ASSI {   30}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
      2.800     0.900     0.900 peak    30 spectrum    1 weight  0.10000E+01 volume  0.28210E-02 ppm1      8.699 ppm2      1.131 CV     1
 ASSI {   31}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
      2.700     0.900     0.900 peak    31 spectrum    1 weight  0.10000E+01 volume  0.92616E-03 ppm1      8.269 ppm2      1.132 CV     1
 ASSI {   32}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HG1 ))
      2.600     0.800     0.800 peak    32 spectrum    1 weight  0.10000E+01 volume  0.25246E-02 ppm1      8.269 ppm2      1.512 CV     1
 ASSI {   33}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HG1 ))
      3.200     1.200     1.200 peak    33 spectrum    1 weight  0.10000E+01 volume  0.42449E-02 ppm1      8.269 ppm2      1.657 CV     1
 ASSI {   34}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB2 ))
      3.200     1.300     1.300 peak    34 spectrum    1 weight  0.10000E+01 volume  0.25025E-02 ppm1      8.269 ppm2      1.748 CV     1
 ASSI {   35}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HD1 ))
      4.700     2.700     1.300 peak    35 spectrum    1 weight  0.10000E+01 volume  0.31386E-03 ppm1      8.272 ppm2      3.097 CV     1
 ASSI {   37}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      2.700     0.900     0.900 peak    37 spectrum    1 weight  0.10000E+01 volume  0.24083E-02 ppm1      8.270 ppm2      3.954 CV     1
 ASSI {   38}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      2.700     0.900     0.900 peak    38 spectrum    1 weight  0.10000E+01 volume  0.53460E-02 ppm1      8.269 ppm2      4.415 CV     1
 ASSI {   39}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      2.600     0.800     0.800 peak    39 spectrum    1 weight  0.10000E+01 volume  0.13527E-02 ppm1      8.270 ppm2      7.088 CV     1
 ASSI {   40}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak    40 spectrum    1 weight  0.10000E+01 volume  0.56201E-02 ppm1      8.166 ppm2      4.389 CV     1
 ASSI {   41}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      5.000     3.100     1.000 peak    41 spectrum    1 weight  0.10000E+01 volume  0.25569E-03 ppm1      8.164 ppm2      4.452 CV     1
 ASSI {   42}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.500     0.800     0.800 peak    42 spectrum    1 weight  0.10000E+01 volume  0.38949E-02 ppm1      8.166 ppm2      4.116 CV     1
 ASSI {   48}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      4.100     2.100     1.900 peak    48 spectrum    1 weight  0.10000E+01 volume  0.10274E-02 ppm1      8.165 ppm2      2.034 CV     1
 ASSI {   49}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.200     1.300     1.300 peak    49 spectrum    1 weight  0.10000E+01 volume  0.56349E-02 ppm1      8.166 ppm2      1.863 CV     1
 ASSI {   50}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.000     3.000     3.000 peak    50 spectrum    1 weight  0.10000E+01 volume  0.29889E-03 ppm1      8.165 ppm2      1.761 CV     1
 ASSI {   53}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG2 ))
      4.100     2.100     1.900 peak    53 spectrum    1 weight  0.10000E+01 volume  0.14128E-02 ppm1      8.166 ppm2      1.423 CV     1
 ASSI {   54}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 10   and name HN  ))
      2.800     1.000     1.000 peak    54 spectrum    1 weight  0.10000E+01 volume  0.28011E-02 ppm1      8.167 ppm2      8.001 CV     1
 ASSI {   55}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      2.700     0.900     0.900 peak    55 spectrum    1 weight  0.10000E+01 volume  0.23530E-02 ppm1      8.166 ppm2      7.641 CV     1
 ASSI {   59}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      2.400     0.700     0.700 peak    59 spectrum    1 weight  0.10000E+01 volume  0.22555E-02 ppm1      8.121 ppm2      4.551 CV     1
 ASSI {   60}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      4.600     2.600     1.400 peak    60 spectrum    1 weight  0.10000E+01 volume  0.52001E-03 ppm1      8.119 ppm2      4.369 CV     1
 ASSI {   61}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      4.800     2.900     1.200 peak    61 spectrum    1 weight  0.10000E+01 volume  0.75426E-03 ppm1      8.120 ppm2      4.115 CV     1
 ASSI {   62}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA1 ))
      3.100     1.200     1.200 peak    62 spectrum    1 weight  0.10000E+01 volume  0.32481E-02 ppm1      8.121 ppm2      4.035 CV     1
 ASSI {   63}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HA2 ))
      2.700     0.900     0.900 peak    63 spectrum    1 weight  0.10000E+01 volume  0.28642E-02 ppm1      8.121 ppm2      3.863 CV     1
 ASSI {   64}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      3.800     1.800     1.800 peak    64 spectrum    1 weight  0.10000E+01 volume  0.14482E-02 ppm1      8.121 ppm2      3.166 CV     1
 ASSI {   65}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      2.900     1.000     1.000 peak    65 spectrum    1 weight  0.10000E+01 volume  0.28664E-02 ppm1      8.122 ppm2      2.976 CV     1
 ASSI {   66}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      5.500     3.800     0.500 peak    66 spectrum    1 weight  0.10000E+01 volume  0.25098E-03 ppm1      8.118 ppm2      1.856 CV     1
 ASSI {   69}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      3.500     1.500     1.500 peak    69 spectrum    1 weight  0.10000E+01 volume  0.77906E-03 ppm1      8.003 ppm2      4.388 CV     1
 ASSI {   70}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      2.700     0.900     0.900 peak    70 spectrum    1 weight  0.10000E+01 volume  0.29508E-02 ppm1      8.001 ppm2      4.196 CV     1
 ASSI {   71}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.400     0.700     0.700 peak    71 spectrum    1 weight  0.10000E+01 volume  0.26578E-02 ppm1      8.004 ppm2      4.116 CV     1
 ASSI {   73}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      2.800     2.800     3.200 peak    73 spectrum    1 weight  0.10000E+01 volume  0.37863E-03 ppm1      8.004 ppm2      2.113 CV     1
 ASSI {   75}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.100     1.200     1.200 peak    75 spectrum    1 weight  0.10000E+01 volume  0.54753E-02 ppm1      8.004 ppm2      1.852 CV     1
 ASSI {   77}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HD1 ))
      4.300     2.400     1.700 peak    77 spectrum    1 weight  0.10000E+01 volume  0.10478E-02 ppm1      8.003 ppm2      1.672 CV     1
 ASSI {   78}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG1 ))
      3.600     1.600     1.600 peak    78 spectrum    1 weight  0.10000E+01 volume  0.13617E-02 ppm1      8.004 ppm2      1.475 CV     1
 ASSI {   79}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HG2 ))
      2.500     0.800     0.800 peak    79 spectrum    1 weight  0.10000E+01 volume  0.11129E-02 ppm1      8.005 ppm2      1.414 CV     1
 ASSI {   82}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      4.100     2.100     1.900 peak    82 spectrum    1 weight  0.10000E+01 volume  0.46991E-03 ppm1      7.978 ppm2      4.195 CV     1
 ASSI {   83}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA1 ))
      2.700     0.900     0.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.42451E-02 ppm1      7.982 ppm2      4.033 CV     1
 ASSI {   84}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 12   and name HA2 ))
      2.200     0.600     0.600 peak    84 spectrum    1 weight  0.10000E+01 volume  0.49611E-02 ppm1      7.983 ppm2      3.863 CV     1
 ASSI {   85}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      5.100     3.300     0.900 peak    85 spectrum    1 weight  0.10000E+01 volume  0.28840E-03 ppm1      7.973 ppm2      1.813 CV     1
 ASSI {   86}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.400     1.500     1.500 peak    86 spectrum    1 weight  0.10000E+01 volume  0.96673E-03 ppm1      7.983 ppm2      1.742 CV     1
 ASSI {   87}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      3.400     1.400     1.400 peak    87 spectrum    1 weight  0.10000E+01 volume  0.15379E-02 ppm1      7.979 ppm2      1.659 CV     1
 ASSI {   88}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      3.300     3.300     2.700 peak    88 spectrum    1 weight  0.10000E+01 volume  0.15704E-03 ppm1      7.984 ppm2      0.927 CV     1
 ASSI {   90}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HN  ))
      2.600     0.800     0.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.20822E-02 ppm1      7.785 ppm2      7.682 CV     1
 ASSI {   91}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HE3 ))
      3.600     1.600     1.600 peak    91 spectrum    1 weight  0.10000E+01 volume  0.10058E-02 ppm1      7.786 ppm2      7.573 CV     1
 ASSI {   92}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      3.100     1.200     1.200 peak    92 spectrum    1 weight  0.10000E+01 volume  0.14412E-02 ppm1      7.785 ppm2      7.358 CV     1
 ASSI {   94}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      4.300     2.300     1.700 peak    94 spectrum    1 weight  0.10000E+01 volume  0.24464E-03 ppm1      7.785 ppm2      4.621 CV     1
 ASSI {   95}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak    95 spectrum    1 weight  0.10000E+01 volume  0.26818E-02 ppm1      7.784 ppm2      4.456 CV     1
 ASSI {   96}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.500     0.800     0.800 peak    96 spectrum    1 weight  0.10000E+01 volume  0.43018E-02 ppm1      7.785 ppm2      4.220 CV     1
 ASSI {   97}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.600     0.800     0.800 peak    97 spectrum    1 weight  0.10000E+01 volume  0.62316E-02 ppm1      7.785 ppm2      3.304 CV     1
 ASSI {   98}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 1    and name HB1 ))
      5.000     3.100     1.000 peak    98 spectrum    1 weight  0.10000E+01 volume  0.13396E-03 ppm1      7.783 ppm2      3.057 CV     1
 ASSI {   99}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
      4.300     2.300     1.700 peak    99 spectrum    1 weight  0.10000E+01 volume  0.77806E-03 ppm1      7.785 ppm2      1.954 CV     1
 ASSI {  101}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      6.000     6.000     0.000 peak   101 spectrum    1 weight  0.10000E+01 volume  0.92619E-04 ppm1      7.788 ppm2      1.760 CV     1
 ASSI {  102}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HZ2 ))
      3.800     3.800     2.200 peak   102 spectrum    1 weight  0.10000E+01 volume  0.70479E-04 ppm1      7.679 ppm2      7.433 CV     1
 ASSI {  103}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HD1 ))
      3.200     3.200     2.800 peak   103 spectrum    1 weight  0.10000E+01 volume  0.18203E-03 ppm1      7.684 ppm2      7.332 CV     1
 ASSI {  107}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.900     2.900     3.100 peak   107 spectrum    1 weight  0.10000E+01 volume  0.23496E-02 ppm1      7.683 ppm2      3.304 CV     1
 ASSI {  110}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.700     2.700     3.300 peak   110 spectrum    1 weight  0.10000E+01 volume  0.33764E-02 ppm1      7.684 ppm2      1.588 CV     1
 ASSI {  111}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG1 ))
      4.300     2.300     1.700 peak   111 spectrum    1 weight  0.10000E+01 volume  0.11708E-02 ppm1      7.683 ppm2      1.175 CV     1
 ASSI {  112}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      3.200     1.300     1.300 peak   112 spectrum    1 weight  0.10000E+01 volume  0.18852E-02 ppm1      7.684 ppm2      1.100 CV     1
 ASSI {  115}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      2.700     0.900     0.900 peak   115 spectrum    1 weight  0.10000E+01 volume  0.19605E-02 ppm1      7.641 ppm2      1.586 CV     1
 ASSI {  116}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.900     1.900     1.900 peak   116 spectrum    1 weight  0.10000E+01 volume  0.12654E-02 ppm1      7.645 ppm2      1.760 CV     1
 ASSI {  117}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
      4.800     2.900     1.200 peak   117 spectrum    1 weight  0.10000E+01 volume  0.29476E-03 ppm1      7.641 ppm2      1.957 CV     1
 ASSI {  119}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      2.900     1.000     1.000 peak   119 spectrum    1 weight  0.10000E+01 volume  0.25920E-02 ppm1      7.640 ppm2      2.112 CV     1
 ASSI {  120}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG2 ))
      2.400     0.700     0.700 peak   120 spectrum    1 weight  0.10000E+01 volume  0.16283E-02 ppm1      7.641 ppm2      2.530 CV     1
 ASSI {  121}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HG1 ))
      3.400     1.500     1.500 peak   121 spectrum    1 weight  0.10000E+01 volume  0.17973E-02 ppm1      7.642 ppm2      2.614 CV     1
 ASSI {  122}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HD2 ))
      3.200     3.200     2.800 peak   122 spectrum    1 weight  0.10000E+01 volume  0.18377E-03 ppm1      7.641 ppm2      2.997 CV     1
 ASSI {  123}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      2.400     2.400     3.600 peak   123 spectrum    1 weight  0.10000E+01 volume  0.94947E-03 ppm1      7.640 ppm2      3.304 CV     1
 ASSI {  124}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      3.100     1.200     1.200 peak   124 spectrum    1 weight  0.10000E+01 volume  0.23455E-02 ppm1      7.641 ppm2      3.993 CV     1
 ASSI {  126}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      4.800     2.800     1.200 peak   126 spectrum    1 weight  0.10000E+01 volume  0.47478E-03 ppm1      7.643 ppm2      4.453 CV     1
 ASSI {  127}
   (( segid "    " and resid 13   and name HN1 ))
   (( segid "    " and resid 13   and name HN2 ))
      1.700     0.300     0.500 peak   127 spectrum    1 weight  0.10000E+01 volume  0.29334E-01 ppm1      7.596 ppm2      7.097 CV     1
 ASSI {  128}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HZ3 ))
      2.200     0.600     0.600 peak   128 spectrum    1 weight  0.10000E+01 volume  0.87587E-02 ppm1      7.578 ppm2      7.057 CV     1
 ASSI {  129}
   (( segid "    " and resid 13   and name HN1 ))
   (( segid "    " and resid 13   and name HA  ))
      3.000     1.100     1.100 peak   129 spectrum    1 weight  0.10000E+01 volume  0.11663E-02 ppm1      7.596 ppm2      4.552 CV     1
 ASSI {  130}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HA  ))
      3.700     1.700     1.700 peak   130 spectrum    1 weight  0.10000E+01 volume  0.14761E-02 ppm1      7.575 ppm2      4.455 CV     1
 ASSI {  131}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 8    and name HA  ))
      6.000     5.100     0.000 peak   131 spectrum    1 weight  0.10000E+01 volume  0.19422E-03 ppm1      7.574 ppm2      4.387 CV     1
 ASSI {  132}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HA  ))
      3.000     1.100     1.100 peak   132 spectrum    1 weight  0.10000E+01 volume  0.30018E-02 ppm1      7.618 ppm2      4.197 CV     1
 ASSI {  133}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 5    and name HA  ))
      5.600     3.900     0.400 peak   133 spectrum    1 weight  0.10000E+01 volume  0.24821E-03 ppm1      7.571 ppm2      4.209 CV     1
 ASSI {  134}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      4.900     3.000     1.100 peak   134 spectrum    1 weight  0.10000E+01 volume  0.15665E-03 ppm1      7.643 ppm2      4.114 CV     1
 ASSI {  135}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      4.700     2.800     1.300 peak   135 spectrum    1 weight  0.10000E+01 volume  0.40080E-03 ppm1      7.621 ppm2      4.115 CV     1
 ASSI {  136}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 7    and name HA  ))
      4.300     2.300     1.700 peak   136 spectrum    1 weight  0.10000E+01 volume  0.68189E-03 ppm1      7.574 ppm2      3.992 CV     1
 ASSI {  137}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HB2 ))
      2.400     2.400     3.600 peak   137 spectrum    1 weight  0.10000E+01 volume  0.49641E-02 ppm1      7.575 ppm2      3.304 CV     1
 ASSI {  140}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 7    and name HD2 ))
      5.500     3.800     0.500 peak   140 spectrum    1 weight  0.10000E+01 volume  0.29411E-03 ppm1      7.576 ppm2      2.999 CV     1
 ASSI {  142}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB2 ))
      3.400     1.400     1.400 peak   142 spectrum    1 weight  0.10000E+01 volume  0.18858E-02 ppm1      7.619 ppm2      1.845 CV     1
 ASSI {  143}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      2.200     0.600     0.600 peak   143 spectrum    1 weight  0.10000E+01 volume  0.48840E-02 ppm1      7.620 ppm2      1.745 CV     1
 ASSI {  144}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      3.200     1.300     1.300 peak   144 spectrum    1 weight  0.10000E+01 volume  0.45846E-02 ppm1      7.618 ppm2      1.654 CV     1
 ASSI {  145}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 7    and name HB1 ))
      4.900     3.000     1.100 peak   145 spectrum    1 weight  0.10000E+01 volume  0.53400E-03 ppm1      7.576 ppm2      1.762 CV     1
 ASSI {  147}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG1 ))
      3.200     1.300     1.300 peak   147 spectrum    1 weight  0.10000E+01 volume  0.26571E-03 ppm1      7.626 ppm2      1.473 CV     1
 ASSI {  149}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 7    and name HG1 ))
      4.800     2.900     1.200 peak   149 spectrum    1 weight  0.10000E+01 volume  0.17461E-03 ppm1      7.577 ppm2      1.173 CV     1
 ASSI {  151}
   (( segid "    " and resid 13   and name HN1 ))
   (  segid "    " and resid 11   and name HD1%)
      4.200     2.200     1.800 peak   151 spectrum    1 weight  0.10000E+01 volume  0.35126E-04 ppm1      7.586 ppm2      0.931 CV     1
 ASSI {  153}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      4.800     2.900     1.200 peak   153 spectrum    1 weight  0.10000E+01 volume  0.65447E-03 ppm1      7.621 ppm2      0.882 CV     1
 ASSI {  156}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 11   and name HB1 ))
      4.800     2.900     1.200 peak   156 spectrum    1 weight  0.10000E+01 volume  0.24789E-03 ppm1      7.467 ppm2      1.747 CV     1
 ASSI {  157}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 5    and name HG1 ))
      5.600     3.900     0.400 peak   157 spectrum    1 weight  0.10000E+01 volume  0.40435E-03 ppm1      7.469 ppm2      1.945 CV     1
 ASSI {  159}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 4    and name HB2 ))
      3.100     1.200     1.200 peak   159 spectrum    1 weight  0.10000E+01 volume  0.20562E-02 ppm1      7.466 ppm2      3.055 CV     1
 ASSI {  160}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 4    and name HB1 ))
      3.100     1.200     1.200 peak   160 spectrum    1 weight  0.10000E+01 volume  0.23658E-02 ppm1      7.468 ppm2      3.352 CV     1
 ASSI {  162}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 4    and name HZ3 ))
      2.600     0.800     0.800 peak   162 spectrum    1 weight  0.10000E+01 volume  0.59493E-02 ppm1      7.473 ppm2      7.036 CV     1
 ASSI {  163}
   (( segid "    " and resid 6    and name HZ2 ))
   (( segid "    " and resid 6    and name HH2 ))
      2.500     0.800     0.800 peak   163 spectrum    1 weight  0.10000E+01 volume  0.74368E-02 ppm1      7.426 ppm2      7.109 CV     1
 ASSI {  164}
   (  segid "    " and resid 10   and name HZ% )
   (( segid "    " and resid 10   and name HE1 ))
      3.100     1.200     1.200 peak   164 spectrum    1 weight  0.10000E+01 volume  0.16768E-02 ppm1      7.430 ppm2      2.988 CV     1
 ASSI {  166}
   (  segid "    " and resid 10   and name HZ% )
   (( segid "    " and resid 10   and name HD1 ))
      3.500     1.500     1.500 peak   166 spectrum    1 weight  0.10000E+01 volume  0.11737E-02 ppm1      7.424 ppm2      1.678 CV     1
 ASSI {  167}
   (  segid "    " and resid 10   and name HZ% )
   (( segid "    " and resid 10   and name HG1 ))
      5.600     4.000     0.400 peak   167 spectrum    1 weight  0.10000E+01 volume  0.99564E-04 ppm1      7.429 ppm2      1.471 CV     1
 ASSI {  169}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 2    and name HB1 ))
      5.800     4.200     0.200 peak   169 spectrum    1 weight  0.10000E+01 volume  0.13622E-03 ppm1      7.377 ppm2      1.134 CV     1
 ASSI {  170}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 11   and name HG  ))
      4.000     2.000     2.000 peak   170 spectrum    1 weight  0.10000E+01 volume  0.10330E-02 ppm1      7.376 ppm2      1.644 CV     1
 ASSI {  171}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      2.400     2.400     3.600 peak   171 spectrum    1 weight  0.10000E+01 volume  0.19548E-02 ppm1      7.360 ppm2      1.818 CV     1
 ASSI {  174}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 13   and name HB2 ))
      4.900     3.000     1.100 peak   174 spectrum    1 weight  0.10000E+01 volume  0.44076E-03 ppm1      7.375 ppm2      3.154 CV     1
 ASSI {  175}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 1    and name HB2 ))
      5.000     3.100     1.000 peak   175 spectrum    1 weight  0.10000E+01 volume  0.38551E-03 ppm1      7.370 ppm2      3.233 CV     1
 ASSI {  180}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HN  ))
      2.000     0.500     0.500 peak   180 spectrum    1 weight  0.10000E+01 volume  0.75223E-02 ppm1      7.171 ppm2      7.096 CV     1
 ASSI {  181}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HA  ))
      3.600     1.600     1.600 peak   181 spectrum    1 weight  0.10000E+01 volume  0.15325E-02 ppm1      7.170 ppm2      4.620 CV     1
 ASSI {  186}
   (( segid "    " and resid 6    and name HD1 ))
   (( segid "    " and resid 6    and name HB2 ))
      3.400     1.400     1.400 peak   186 spectrum    1 weight  0.10000E+01 volume  0.39716E-02 ppm1      7.329 ppm2      3.305 CV     1
 ASSI {  187}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HB1 ))
      3.200     1.300     1.300 peak   187 spectrum    1 weight  0.10000E+01 volume  0.14330E-02 ppm1      7.170 ppm2      3.353 CV     1
 ASSI {  189}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 2    and name HD1 ))
      6.000     5.800     0.000 peak   189 spectrum    1 weight  0.10000E+01 volume  0.54231E-04 ppm1      7.170 ppm2      3.150 CV     1
 ASSI {  190}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 4    and name HB2 ))
      3.000     1.100     1.100 peak   190 spectrum    1 weight  0.10000E+01 volume  0.23247E-02 ppm1      7.171 ppm2      3.053 CV     1
 ASSI {  191}
   (( segid "    " and resid 6    and name HD1 ))
   (( segid "    " and resid 1    and name HB1 ))
      4.700     2.800     1.300 peak   191 spectrum    1 weight  0.10000E+01 volume  0.32504E-03 ppm1      7.329 ppm2      3.050 CV     1
 ASSI {  192}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      5.400     3.600     0.600 peak   192 spectrum    1 weight  0.10000E+01 volume  0.63848E-04 ppm1      7.368 ppm2      2.977 CV     1
 ASSI {  194}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 5    and name HB2 ))
      4.800     2.800     1.200 peak   194 spectrum    1 weight  0.10000E+01 volume  0.23239E-03 ppm1      7.172 ppm2      1.813 CV     1
 ASSI {  195}
   (( segid "    " and resid 6    and name HD1 ))
   (( segid "    " and resid 3    and name HB1 ))
      5.000     3.200     1.000 peak   195 spectrum    1 weight  0.10000E+01 volume  0.44417E-03 ppm1      7.326 ppm2      1.804 CV     1
 ASSI {  196}
   (( segid "    " and resid 6    and name HD1 ))
   (( segid "    " and resid 3    and name HB2 ))
      6.000     6.000     0.000 peak   196 spectrum    1 weight  0.10000E+01 volume  0.64344E-04 ppm1      7.329 ppm2      1.746 CV     1
 ASSI {  198}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 3    and name HB2 ))
      5.200     3.400     0.800 peak   198 spectrum    1 weight  0.10000E+01 volume  0.22007E-03 ppm1      7.171 ppm2      1.746 CV     1
 ASSI {  199}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 2    and name HG1 ))
      4.800     2.900     1.200 peak   199 spectrum    1 weight  0.10000E+01 volume  0.82693E-03 ppm1      7.171 ppm2      1.651 CV     1
 ASSI {  203}
   (( segid "    " and resid 5    and name HE21))
   (( segid "    " and resid 5    and name HE22))
      1.600     0.300     0.600 peak   203 spectrum    1 weight  0.10000E+01 volume  0.20700E-01 ppm1      7.098 ppm2      6.689 CV     1
 ASSI {  204}
   (( segid "    " and resid 13   and name HN2 ))
   (( segid "    " and resid 13   and name HA  ))
      4.600     2.600     1.400 peak   204 spectrum    1 weight  0.10000E+01 volume  0.55784E-03 ppm1      7.099 ppm2      4.552 CV     1
 ASSI {  206}
   (( segid "    " and resid 5    and name HE21))
   (( segid "    " and resid 5    and name HA  ))
      4.400     2.400     1.600 peak   206 spectrum    1 weight  0.10000E+01 volume  0.22444E-03 ppm1      7.096 ppm2      4.218 CV     1
 ASSI {  207}
   (( segid "    " and resid 5    and name HE21))
   (( segid "    " and resid 9    and name HA  ))
      6.000     5.300     0.000 peak   207 spectrum    1 weight  0.10000E+01 volume  0.83614E-04 ppm1      7.100 ppm2      4.117 CV     1
 ASSI {  208}
   (( segid "    " and resid 2    and name HE  ))
   (( segid "    " and resid 2    and name HD2 ))
      2.900     1.000     1.000 peak   208 spectrum    1 weight  0.10000E+01 volume  0.27261E-02 ppm1      7.105 ppm2      3.236 CV     1
 ASSI {  209}
   (( segid "    " and resid 2    and name HE  ))
   (( segid "    " and resid 2    and name HD1 ))
      2.800     1.000     1.000 peak   209 spectrum    1 weight  0.10000E+01 volume  0.32350E-02 ppm1      7.107 ppm2      3.149 CV     1
 ASSI {  210}
   (( segid "    " and resid 13   and name HN2 ))
   (( segid "    " and resid 13   and name HB1 ))
      2.600     2.600     3.400 peak   210 spectrum    1 weight  0.10000E+01 volume  0.59731E-03 ppm1      7.097 ppm2      2.987 CV     1
 ASSI {  212}
   (( segid "    " and resid 5    and name HE21))
   (( segid "    " and resid 5    and name HG1 ))
      2.200     0.600     0.600 peak   212 spectrum    1 weight  0.10000E+01 volume  0.23789E-02 ppm1      7.098 ppm2      1.941 CV     1
 ASSI {  215}
   (( segid "    " and resid 5    and name HE21))
   (( segid "    " and resid 10   and name HG1 ))
      3.100     1.200     1.200 peak   215 spectrum    1 weight  0.10000E+01 volume  0.16484E-02 ppm1      7.099 ppm2      1.481 CV     1
 ASSI {  216}
   (( segid "    " and resid 2    and name HE  ))
   (( segid "    " and resid 2    and name HB1 ))
      3.600     1.600     1.600 peak   216 spectrum    1 weight  0.10000E+01 volume  0.14271E-02 ppm1      7.104 ppm2      1.135 CV     1
 ASSI {  218}
   (( segid "    " and resid 13   and name HN2 ))
   (  segid "    " and resid 11   and name HD2%)
      6.000     5.900     0.000 peak   218 spectrum    1 weight  0.10000E+01 volume  0.67169E-04 ppm1      7.099 ppm2      0.879 CV     1
 ASSI {  220}
   (( segid "    " and resid 6    and name HZ3 ))
   (( segid "    " and resid 7    and name HG1 ))
      3.500     1.600     1.600 peak   220 spectrum    1 weight  0.10000E+01 volume  0.16657E-02 ppm1      7.051 ppm2      1.174 CV     1
 ASSI {  221}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 9    and name HG1 ))
      3.000     3.000     3.000 peak   221 spectrum    1 weight  0.10000E+01 volume  0.26098E-03 ppm1      7.048 ppm2      1.482 CV     1
 ASSI {  222}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.900     1.900     1.900 peak   222 spectrum    1 weight  0.10000E+01 volume  0.14828E-02 ppm1      7.050 ppm2      1.587 CV     1
 ASSI {  223}
   (( segid "    " and resid 4    and name HH2 ))
   (( segid "    " and resid 11   and name HG  ))
      4.100     2.100     1.900 peak   223 spectrum    1 weight  0.10000E+01 volume  0.15783E-02 ppm1      7.059 ppm2      1.653 CV     1
 ASSI {  224}
   (( segid "    " and resid 6    and name HZ3 ))
   (( segid "    " and resid 7    and name HB1 ))
      4.200     2.200     1.800 peak   224 spectrum    1 weight  0.10000E+01 volume  0.19788E-02 ppm1      7.051 ppm2      1.761 CV     1
 ASSI {  225}
   (( segid "    " and resid 5    and name HE21))
   (( segid "    " and resid 11   and name HB1 ))
      3.300     1.300     1.300 peak   225 spectrum    1 weight  0.10000E+01 volume  0.16576E-02 ppm1      7.089 ppm2      1.748 CV     1
 ASSI {  226}
   (( segid "    " and resid 6    and name HZ3 ))
   (  segid "    " and resid 8    and name HE% )
      4.800     2.800     1.200 peak   226 spectrum    1 weight  0.10000E+01 volume  0.36775E-03 ppm1      7.054 ppm2      2.078 CV     1
 ASSI {  227}
   (( segid "    " and resid 6    and name HZ3 ))
   (( segid "    " and resid 8    and name HG1 ))
      6.000     6.000     0.000 peak   227 spectrum    1 weight  0.10000E+01 volume  0.90736E-04 ppm1      7.043 ppm2      2.616 CV     1
 ASSI {  228}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 7    and name HD2 ))
      2.600     0.800     0.800 peak   228 spectrum    1 weight  0.10000E+01 volume  0.54004E-02 ppm1      7.051 ppm2      3.010 CV     1
 ASSI {  229}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.300     1.400     1.400 peak   229 spectrum    1 weight  0.10000E+01 volume  0.23631E-02 ppm1      7.090 ppm2      3.053 CV     1
 ASSI {  230}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 6    and name HB2 ))
      3.800     1.800     1.800 peak   230 spectrum    1 weight  0.10000E+01 volume  0.49133E-03 ppm1      7.053 ppm2      3.307 CV     1
 ASSI {  231}
   (( segid "    " and resid 4    and name HZ3 ))
   (( segid "    " and resid 4    and name HB1 ))
      5.500     3.800     0.500 peak   231 spectrum    1 weight  0.10000E+01 volume  0.32230E-03 ppm1      7.043 ppm2      3.352 CV     1
 ASSI {  232}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      3.500     1.500     1.500 peak   232 spectrum    1 weight  0.10000E+01 volume  0.14060E-02 ppm1      7.089 ppm2      3.352 CV     1
 ASSI {  233}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      3.100     1.200     1.200 peak   233 spectrum    1 weight  0.10000E+01 volume  0.13668E-02 ppm1      7.089 ppm2      3.953 CV     1
 ASSI {  234}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 7    and name HA  ))
      3.900     1.900     1.900 peak   234 spectrum    1 weight  0.10000E+01 volume  0.41654E-03 ppm1      7.053 ppm2      3.994 CV     1
 ASSI {  236}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      2.700     0.900     0.900 peak   236 spectrum    1 weight  0.10000E+01 volume  0.22172E-02 ppm1      7.087 ppm2      4.622 CV     1
 ASSI {  238}
   (( segid "    " and resid 3    and name HE  ))
   (( segid "    " and resid 3    and name HD1 ))
      2.800     0.900     0.900 peak   238 spectrum    1 weight  0.10000E+01 volume  0.41969E-02 ppm1      6.981 ppm2      3.101 CV     1
 ASSI {  240}
   (( segid "    " and resid 3    and name HE  ))
   (( segid "    " and resid 3    and name HB2 ))
      4.600     2.600     1.400 peak   240 spectrum    1 weight  0.10000E+01 volume  0.85416E-03 ppm1      6.982 ppm2      1.745 CV     1
 ASSI {  241}
   (( segid "    " and resid 3    and name HE  ))
   (( segid "    " and resid 3    and name HG1 ))
      2.900     1.000     1.000 peak   241 spectrum    1 weight  0.10000E+01 volume  0.26329E-02 ppm1      6.982 ppm2      1.512 CV     1
 ASSI {  242}
   (( segid "    " and resid 5    and name HE22))
   (( segid "    " and resid 10   and name HG1 ))
      5.600     3.900     0.400 peak   242 spectrum    1 weight  0.10000E+01 volume  0.14716E-03 ppm1      6.690 ppm2      1.474 CV     1
 ASSI {  243}
   (( segid "    " and resid 5    and name HE22))
   (( segid "    " and resid 11   and name HG  ))
      6.000     5.400     0.000 peak   243 spectrum    1 weight  0.10000E+01 volume  0.66379E-04 ppm1      6.690 ppm2      1.649 CV     1
 ASSI {  245}
   (( segid "    " and resid 5    and name HE22))
   (( segid "    " and resid 5    and name HG1 ))
      4.000     2.000     2.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.10680E-02 ppm1      6.691 ppm2      1.939 CV     1
 ASSI {  247}
   (( segid "    " and resid 4    and name HB1 ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.800     0.800 peak   247 spectrum    1 weight  0.10000E+01 volume  0.42391E-02 ppm1      3.354 ppm2      4.618 CV     1
 ASSI {  248}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      2.600     0.900     0.900 peak   248 spectrum    1 weight  0.10000E+01 volume  0.62610E-02 ppm1      3.052 ppm2      4.619 CV     1
 ASSI {  250}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      2.500     0.800     0.800 peak   250 spectrum    1 weight  0.10000E+01 volume  0.34440E-02 ppm1      3.166 ppm2      4.549 CV     1
 ASSI {  252}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
      2.800     1.000     1.000 peak   252 spectrum    1 weight  0.10000E+01 volume  0.25396E-02 ppm1      2.978 ppm2      4.549 CV     1
 ASSI {  254}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 6    and name HA  ))
      2.500     0.800     0.800 peak   254 spectrum    1 weight  0.10000E+01 volume  0.97258E-02 ppm1      3.306 ppm2      4.456 CV     1
 ASSI {  256}
   (( segid "    " and resid 5    and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
      5.200     3.400     0.800 peak   256 spectrum    1 weight  0.10000E+01 volume  0.11944E-03 ppm1      4.225 ppm2      4.454 CV     1
 ASSI {  257}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 2    and name HA  ))
      4.300     2.300     1.700 peak   257 spectrum    1 weight  0.10000E+01 volume  0.42961E-03 ppm1      3.955 ppm2      4.414 CV     1
 ASSI {  259}
   (( segid "    " and resid 2    and name HD1 ))
   (( segid "    " and resid 2    and name HA  ))
      3.700     1.700     1.700 peak   259 spectrum    1 weight  0.10000E+01 volume  0.16662E-02 ppm1      3.151 ppm2      4.414 CV     1
 ASSI {  260}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     6.000     0.000 peak   260 spectrum    1 weight  0.10000E+01 volume  0.22579E-04 ppm1      3.065 ppm2      4.408 CV     1
 ASSI {  261}
   (( segid "    " and resid 2    and name HG1 ))
   (( segid "    " and resid 2    and name HA  ))
      2.300     0.700     0.700 peak   261 spectrum    1 weight  0.10000E+01 volume  0.91678E-02 ppm1      1.647 ppm2      4.414 CV     1
 ASSI {  262}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 2    and name HA  ))
      3.600     1.600     1.600 peak   262 spectrum    1 weight  0.10000E+01 volume  0.11729E-02 ppm1      1.127 ppm2      4.415 CV     1
 ASSI {  263}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HA  ))
      3.600     1.600     1.600 peak   263 spectrum    1 weight  0.10000E+01 volume  0.59185E-02 ppm1      0.882 ppm2      4.362 CV     1
 ASSI {  264}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HA  ))
      3.200     1.300     1.300 peak   264 spectrum    1 weight  0.10000E+01 volume  0.15266E-02 ppm1      0.925 ppm2      4.362 CV     1
 ASSI {  267}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HA  ))
      2.900     1.000     1.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.31660E-02 ppm1      2.039 ppm2      4.389 CV     1
 ASSI {  268}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HA  ))
      2.700     0.900     0.900 peak   268 spectrum    1 weight  0.10000E+01 volume  0.38096E-02 ppm1      2.113 ppm2      4.390 CV     1
 ASSI {  269}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HA  ))
      3.500     1.500     1.500 peak   269 spectrum    1 weight  0.10000E+01 volume  0.24016E-02 ppm1      2.535 ppm2      4.389 CV     1
 ASSI {  271}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 1    and name HA  ))
      3.200     1.300     1.300 peak   271 spectrum    1 weight  0.10000E+01 volume  0.26175E-02 ppm1      3.060 ppm2      4.355 CV     1
 ASSI {  272}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 1    and name HA  ))
      2.800     2.800     3.200 peak   272 spectrum    1 weight  0.10000E+01 volume  0.45807E-03 ppm1      3.159 ppm2      4.354 CV     1
 ASSI {  273}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 1    and name HA  ))
      2.700     0.900     0.900 peak   273 spectrum    1 weight  0.10000E+01 volume  0.33008E-02 ppm1      3.244 ppm2      4.355 CV     1
 ASSI {  274}
   (( segid "    " and resid 12   and name HA2 ))
   (( segid "    " and resid 11   and name HA  ))
      5.100     3.200     0.900 peak   274 spectrum    1 weight  0.10000E+01 volume  0.29000E-03 ppm1      3.866 ppm2      4.360 CV     1
 ASSI {  276}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 8    and name HA  ))
      4.900     3.000     1.100 peak   276 spectrum    1 weight  0.10000E+01 volume  0.19487E-03 ppm1      3.998 ppm2      4.388 CV     1
 ASSI {  278}
   (( segid "    " and resid 10   and name HA  ))
   (( segid "    " and resid 11   and name HA  ))
      3.900     1.900     1.900 peak   278 spectrum    1 weight  0.10000E+01 volume  0.66171E-03 ppm1      4.205 ppm2      4.356 CV     1
 ASSI {  282}
   (( segid "    " and resid 8    and name HG1 ))
   (( segid "    " and resid 5    and name HA  ))
      4.300     2.300     1.700 peak   282 spectrum    1 weight  0.10000E+01 volume  0.13286E-03 ppm1      2.611 ppm2      4.223 CV     1
 ASSI {  283}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 5    and name HA  ))
      2.100     0.500     0.500 peak   283 spectrum    1 weight  0.10000E+01 volume  0.62406E-02 ppm1      1.948 ppm2      4.220 CV     1
 ASSI {  284}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      2.300     0.600     0.600 peak   284 spectrum    1 weight  0.10000E+01 volume  0.11591E-01 ppm1      1.831 ppm2      4.203 CV     1
 OR {  284}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 10   and name HA  ))
 ASSI {  286}
   (( segid "    " and resid 10   and name HG1 ))
   (( segid "    " and resid 10   and name HA  ))
      3.500     1.500     1.500 peak   286 spectrum    1 weight  0.10000E+01 volume  0.22577E-02 ppm1      1.472 ppm2      4.202 CV     1
 ASSI {  288}
   (( segid "    " and resid 9    and name HG2 ))
   (( segid "    " and resid 9    and name HA  ))
      2.700     0.900     0.900 peak   288 spectrum    1 weight  0.10000E+01 volume  0.19019E-02 ppm1      1.426 ppm2      4.117 CV     1
 ASSI {  290}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 9    and name HA  ))
      4.100     2.100     1.900 peak   290 spectrum    1 weight  0.10000E+01 volume  0.12674E-02 ppm1      1.665 ppm2      4.117 CV     1
 ASSI {  291}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.100     0.600     0.600 peak   291 spectrum    1 weight  0.10000E+01 volume  0.64537E-02 ppm1      1.859 ppm2      4.114 CV     1
 ASSI {  292}
   (( segid "    " and resid 12   and name HA2 ))
   (( segid "    " and resid 12   and name HA1 ))
      1.700     0.400     0.500 peak   292 spectrum    1 weight  0.10000E+01 volume  0.25376E-01 ppm1      3.869 ppm2      4.039 CV     1
 ASSI {  294}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HA  ))
      3.800     1.800     1.800 peak   294 spectrum    1 weight  0.10000E+01 volume  0.16979E-02 ppm1      1.171 ppm2      3.991 CV     1
 ASSI {  295}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      3.200     1.200     1.200 peak   295 spectrum    1 weight  0.10000E+01 volume  0.26507E-02 ppm1      1.601 ppm2      3.997 CV     1
 ASSI {  298}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 7    and name HA  ))
      5.000     3.200     1.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.16578E-03 ppm1      3.304 ppm2      3.993 CV     1
 ASSI {  299}
   (( segid "    " and resid 3    and name HD1 ))
   (( segid "    " and resid 3    and name HA  ))
      4.400     2.400     1.600 peak   299 spectrum    1 weight  0.10000E+01 volume  0.93282E-03 ppm1      3.101 ppm2      3.952 CV     1
 ASSI {  301}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HA  ))
      2.600     0.900     0.900 peak   301 spectrum    1 weight  0.10000E+01 volume  0.50403E-02 ppm1      1.748 ppm2      3.953 CV     1
 ASSI {  302}
   (( segid "    " and resid 3    and name HG1 ))
   (( segid "    " and resid 3    and name HA  ))
      3.400     1.400     1.400 peak   302 spectrum    1 weight  0.10000E+01 volume  0.25072E-02 ppm1      1.517 ppm2      3.950 CV     1
 ASSI {  303}
   (( segid "    " and resid 4    and name HB2 ))
   (( segid "    " and resid 4    and name HB1 ))
      1.800     0.400     0.400 peak   303 spectrum    1 weight  0.10000E+01 volume  0.13522E-01 ppm1      3.052 ppm2      3.350 CV     1
 ASSI {  304}
   (( segid "    " and resid 2    and name HD1 ))
   (( segid "    " and resid 2    and name HD2 ))
      1.700     0.300     0.500 peak   304 spectrum    1 weight  0.10000E+01 volume  0.22742E-01 ppm1      3.154 ppm2      3.232 CV     1
 ASSI {  305}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 1    and name HB2 ))
      1.600     0.300     0.600 peak   305 spectrum    1 weight  0.10000E+01 volume  0.23873E-01 ppm1      3.060 ppm2      3.240 CV     1
 ASSI {  307}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 1    and name HB2 ))
      4.400     2.400     1.600 peak   307 spectrum    1 weight  0.10000E+01 volume  0.53145E-03 ppm1      1.819 ppm2      3.239 CV     1
 ASSI {  308}
   (( segid "    " and resid 2    and name HG1 ))
   (( segid "    " and resid 2    and name HD2 ))
      2.500     0.800     0.800 peak   308 spectrum    1 weight  0.10000E+01 volume  0.62213E-02 ppm1      1.643 ppm2      3.236 CV     1
 ASSI {  309}
   (( segid "    " and resid 2    and name HG1 ))
   (( segid "    " and resid 2    and name HD1 ))
      2.600     0.800     0.800 peak   309 spectrum    1 weight  0.10000E+01 volume  0.59842E-02 ppm1      1.644 ppm2      3.147 CV     1
 ASSI {  310}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 13   and name HB2 ))
      1.500     0.300     0.700 peak   310 spectrum    1 weight  0.10000E+01 volume  0.22331E-01 ppm1      2.983 ppm2      3.166 CV     1
 ASSI {  312}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HD1 ))
      2.800     1.000     1.000 peak   312 spectrum    1 weight  0.10000E+01 volume  0.30020E-02 ppm1      1.744 ppm2      3.100 CV     1
 ASSI {  313}
   (( segid "    " and resid 3    and name HG1 ))
   (( segid "    " and resid 3    and name HD1 ))
      2.700     0.900     0.900 peak   313 spectrum    1 weight  0.10000E+01 volume  0.86711E-02 ppm1      1.521 ppm2      3.099 CV     1
 ASSI {  314}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HD2 ))
      2.700     0.900     0.900 peak   314 spectrum    1 weight  0.10000E+01 volume  0.38343E-02 ppm1      1.098 ppm2      3.010 CV     1
 ASSI {  315}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HD2 ))
      2.600     0.800     0.800 peak   315 spectrum    1 weight  0.10000E+01 volume  0.36604E-02 ppm1      1.172 ppm2      3.009 CV     1
 ASSI {  318}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HD2 ))
      3.900     1.900     1.900 peak   318 spectrum    1 weight  0.10000E+01 volume  0.22598E-02 ppm1      1.590 ppm2      3.003 CV     1
 ASSI {  321}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 8    and name HG1 ))
      1.500     0.300     0.700 peak   321 spectrum    1 weight  0.10000E+01 volume  0.32941E-01 ppm1      2.535 ppm2      2.614 CV     1
 ASSI {  323}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HG1 ))
      2.800     1.000     1.000 peak   323 spectrum    1 weight  0.10000E+01 volume  0.19186E-02 ppm1      2.033 ppm2      2.614 CV     1
 ASSI {  324}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HG2 ))
      3.200     1.300     1.300 peak   324 spectrum    1 weight  0.10000E+01 volume  0.27118E-02 ppm1      2.031 ppm2      2.528 CV     1
 ASSI {  325}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HG2 ))
      2.600     0.900     0.900 peak   325 spectrum    1 weight  0.10000E+01 volume  0.27944E-02 ppm1      2.115 ppm2      2.527 CV     1
 ASSI {  326}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 8    and name HB1 ))
      1.700     0.400     0.500 peak   326 spectrum    1 weight  0.10000E+01 volume  0.19761E-01 ppm1      2.039 ppm2      2.118 CV     1
 ASSI {  327}
   (( segid "    " and resid 10   and name HG1 ))
   (( segid "    " and resid 5    and name HG1 ))
      2.800     1.000     1.000 peak   327 spectrum    1 weight  0.10000E+01 volume  0.73066E-02 ppm1      1.475 ppm2      1.939 CV     1
 ASSI {  331}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HB1 ))
      3.200     1.300     1.300 peak   331 spectrum    1 weight  0.10000E+01 volume  0.63629E-03 ppm1      1.417 ppm2      1.798 CV     1
 ASSI {  332}
   (( segid "    " and resid 10   and name HG1 ))
   (( segid "    " and resid 10   and name HB1 ))
      3.000     1.100     1.100 peak   332 spectrum    1 weight  0.10000E+01 volume  0.35903E-02 ppm1      1.473 ppm2      1.802 CV     1
 ASSI {  333}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 11   and name HB1 ))
      1.700     1.700     4.300 peak   333 spectrum    1 weight  0.10000E+01 volume  0.42978E-01 ppm1      1.668 ppm2      1.745 CV     1
 ASSI {  334}
   (( segid "    " and resid 7    and name HB2 ))
   (( segid "    " and resid 7    and name HB1 ))
      1.700     0.400     0.500 peak   334 spectrum    1 weight  0.10000E+01 volume  0.15255E-01 ppm1      1.594 ppm2      1.762 CV     1
 ASSI {  337}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HB1 ))
      2.900     1.000     1.000 peak   337 spectrum    1 weight  0.10000E+01 volume  0.24106E-02 ppm1      1.164 ppm2      1.756 CV     1
 ASSI {  342}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HG  ))
      2.400     0.700     0.700 peak   342 spectrum    1 weight  0.10000E+01 volume  0.80307E-02 ppm1      0.931 ppm2      1.653 CV     1
 ASSI {  345}
   (( segid "    " and resid 7    and name HG1 ))
   (( segid "    " and resid 7    and name HB2 ))
      2.800     1.000     1.000 peak   345 spectrum    1 weight  0.10000E+01 volume  0.20061E-02 ppm1      1.167 ppm2      1.584 CV     1
 ASSI {  346}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HB2 ))
      2.900     1.000     1.000 peak   346 spectrum    1 weight  0.10000E+01 volume  0.22155E-02 ppm1      1.100 ppm2      1.585 CV     1
 ASSI {  347}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HG1 ))
      1.700     0.300     0.500 peak   347 spectrum    1 weight  0.10000E+01 volume  0.17762E-01 ppm1      1.108 ppm2      1.172 CV     1
 ASSI {  348}
   (  segid "    " and resid 11   and name HD2%)
   (  segid "    " and resid 11   and name HD1%)
      2.200     2.200     3.800 peak   348 spectrum    1 weight  0.10000E+01 volume  0.16604E-01 ppm1      0.884 ppm2      0.929 CV     1
 ASSI {  351}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 2    and name HD2 ))
      5.100     3.300     0.900 peak   351 spectrum    1 weight  0.10000E+01 volume  0.10263E-03 ppm1      9.886 ppm2      3.221 CV     1
 ASSI {  352}
   (( segid "    " and resid 6    and name HE1 ))
   (( segid "    " and resid 4    and name HD1 ))
      5.800     4.200     0.200 peak   352 spectrum    1 weight  0.10000E+01 volume  0.21797E-03 ppm1      9.850 ppm2      7.171 CV     1
 ASSI {  353}
   (( segid "    " and resid 6    and name HH2 ))
   (( segid "    " and resid 6    and name HZ3 ))
      2.300     0.700     0.700 peak   353 spectrum    1 weight  0.10000E+01 volume  0.10830E-01 ppm1      7.113 ppm2      7.054 CV     1
 ASSI {  354}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 11   and name HG  ))
      4.200     2.200     1.800 peak   354 spectrum    1 weight  0.10000E+01 volume  0.16554E-02 ppm1      1.949 ppm2      1.662 CV     1
 ASSI {  356}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HD1 ))
      2.300     0.600     0.600 peak   356 spectrum    1 weight  0.10000E+01 volume  0.11882E-01 ppm1      1.788 ppm2      1.673 CV     1
 ASSI {  357}
   (( segid "    " and resid 3    and name HB2 ))
   (( segid "    " and resid 3    and name HG1 ))
      2.600     0.900     0.900 peak   357 spectrum    1 weight  0.10000E+01 volume  0.59043E-02 ppm1      1.740 ppm2      1.505 CV     1
 ASSI {  358}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 4    and name HH2 ))
      5.200     3.400     0.800 peak   358 spectrum    1 weight  0.10000E+01 volume  0.29608E-03 ppm1      9.886 ppm2      7.063 CV     1
 ASSI {  359}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 3    and name HB1 ))
      6.000     5.100     0.000 peak   359 spectrum    1 weight  0.10000E+01 volume  0.90550E-04 ppm1      9.887 ppm2      1.796 CV     1
 ASSI {  360}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 11   and name HB1 ))
      6.000     5.400     0.000 peak   360 spectrum    1 weight  0.10000E+01 volume  0.45030E-04 ppm1      9.890 ppm2      1.744 CV     1
 ASSI {  361}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 13   and name HN  ))
      5.900     4.300     0.100 peak   361 spectrum    1 weight  0.10000E+01 volume  0.40600E-03 ppm1      8.269 ppm2      8.116 CV     1
 ASSI {  362}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 12   and name HA2 ))
      6.000     5.900     0.000 peak   362 spectrum    1 weight  0.10000E+01 volume  0.90905E-04 ppm1      8.163 ppm2      3.866 CV     1
 ASSI {  365}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      6.000     5.100     0.000 peak   365 spectrum    1 weight  0.10000E+01 volume  0.12335E-03 ppm1      8.121 ppm2      4.215 CV     1
 ASSI {  367}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 1    and name HB1 ))
      6.000     5.100     0.000 peak   367 spectrum    1 weight  0.10000E+01 volume  0.98399E-04 ppm1      8.123 ppm2      3.057 CV     1
 ASSI {  368}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HG2 ))
      6.000     5.200     0.000 peak   368 spectrum    1 weight  0.10000E+01 volume  0.16059E-03 ppm1      7.981 ppm2      1.417 CV     1
 ASSI {  369}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HG1 ))
      6.000     5.400     0.000 peak   369 spectrum    1 weight  0.10000E+01 volume  0.11450E-03 ppm1      7.974 ppm2      1.472 CV     1
 ASSI {  370}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HB1 ))
      3.900     1.900     1.900 peak   370 spectrum    1 weight  0.10000E+01 volume  0.45649E-03 ppm1      7.975 ppm2      1.854 CV     1
 ASSI {  371}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.000     3.000     3.000 peak   371 spectrum    1 weight  0.10000E+01 volume  0.26304E-03 ppm1      7.973 ppm2      1.798 CV     1
 ASSI {  372}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 12   and name HA1 ))
      5.600     3.900     0.400 peak   372 spectrum    1 weight  0.10000E+01 volume  0.63717E-03 ppm1      8.006 ppm2      4.036 CV     1
 ASSI {  373}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      5.000     3.100     1.000 peak   373 spectrum    1 weight  0.10000E+01 volume  0.45460E-03 ppm1      8.006 ppm2      4.360 CV     1
 ASSI {  374}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.500     0.800     0.800 peak   374 spectrum    1 weight  0.10000E+01 volume  0.30013E-02 ppm1      8.003 ppm2      7.617 CV     1
 ASSI {  378}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HG2 ))
      6.000     5.700     0.000 peak   378 spectrum    1 weight  0.10000E+01 volume  0.47565E-04 ppm1      7.643 ppm2      1.420 CV     1
 ASSI {  379}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 9    and name HG1 ))
      4.900     3.000     1.100 peak   379 spectrum    1 weight  0.10000E+01 volume  0.11935E-03 ppm1      7.643 ppm2      1.477 CV     1
 ASSI {  380}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      6.000     5.200     0.000 peak   380 spectrum    1 weight  0.10000E+01 volume  0.24147E-03 ppm1      7.687 ppm2      2.040 CV     1
 ASSI {  381}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      5.300     3.500     0.700 peak   381 spectrum    1 weight  0.10000E+01 volume  0.30834E-03 ppm1      7.680 ppm2      4.387 CV     1
 ASSI {  383}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HH2 ))
      5.900     4.300     0.100 peak   383 spectrum    1 weight  0.10000E+01 volume  0.25012E-03 ppm1      7.686 ppm2      7.095 CV     1
 ASSI {  384}
   (( segid "    " and resid 6    and name HE1 ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     5.800     0.000 peak   384 spectrum    1 weight  0.10000E+01 volume  0.81134E-04 ppm1      9.849 ppm2      7.370 CV     1
 ASSI {  385}
   (( segid "    " and resid 13   and name HN2 ))
   (( segid "    " and resid 12   and name HA1 ))
      3.400     3.400     2.600 peak   385 spectrum    1 weight  0.10000E+01 volume  0.12128E-03 ppm1      7.093 ppm2      4.032 CV     1
 ASSI {  386}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 1    and name HB2 ))
      5.200     3.300     0.800 peak   386 spectrum    1 weight  0.10000E+01 volume  0.42913E-03 ppm1      7.080 ppm2      3.235 CV     1
 ASSI {  387}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      4.800     2.900     1.200 peak   387 spectrum    1 weight  0.10000E+01 volume  0.42389E-03 ppm1      7.079 ppm2      3.152 CV     1
 ASSI {  388}
   (( segid "    " and resid 5    and name HE21))
   (( segid "    " and resid 8    and name HG1 ))
      4.700     2.700     1.300 peak   388 spectrum    1 weight  0.10000E+01 volume  0.70063E-04 ppm1      7.094 ppm2      2.612 CV     1
 ASSI {  389}
   (( segid "    " and resid 5    and name HE21))
   (( segid "    " and resid 8    and name HG2 ))
      6.000     5.400     0.000 peak   389 spectrum    1 weight  0.10000E+01 volume  0.60213E-04 ppm1      7.094 ppm2      2.527 CV     1
 ASSI {  392}
   (( segid "    " and resid 10   and name HB2 ))
   (( segid "    " and resid 11   and name HA  ))
      4.200     2.200     1.800 peak   392 spectrum    1 weight  0.10000E+01 volume  0.41476E-03 ppm1      1.852 ppm2      4.368 CV     1
 ASSI {  393}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 11   and name HA  ))
      6.000     5.000     0.000 peak   393 spectrum    1 weight  0.10000E+01 volume  0.14441E-03 ppm1      1.954 ppm2      4.355 CV     1
 ASSI {  395}
   (( segid "    " and resid 8    and name HG2 ))
   (( segid "    " and resid 5    and name HA  ))
      5.200     3.400     0.800 peak   395 spectrum    1 weight  0.10000E+01 volume  0.14836E-03 ppm1      2.534 ppm2      4.223 CV     1
 ASSI {  396}
   (( segid "    " and resid 8    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      4.700     2.800     1.300 peak   396 spectrum    1 weight  0.10000E+01 volume  0.43074E-03 ppm1      2.028 ppm2      4.224 CV     1
 ASSI {  397}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      6.000     4.900     0.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.13954E-03 ppm1      1.748 ppm2      4.211 CV     1
 ASSI {  398}
   (( segid "    " and resid 9    and name HE1 ))
   (( segid "    " and resid 9    and name HA  ))
      3.300     3.300     2.700 peak   398 spectrum    1 weight  0.10000E+01 volume  0.16393E-03 ppm1      2.984 ppm2      4.114 CV     1
 ASSI {  399}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 9    and name HA  ))
      3.400     1.500     1.500 peak   399 spectrum    1 weight  0.10000E+01 volume  0.26049E-03 ppm1      1.951 ppm2      4.118 CV     1
 ASSI {  400}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      5.000     5.000     1.000 peak   400 spectrum    1 weight  0.10000E+01 volume  0.33157E-03 ppm1      1.807 ppm2      4.112 CV     1
 ASSI {  401}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 12   and name HA1 ))
      4.800     2.900     1.200 peak   401 spectrum    1 weight  0.10000E+01 volume  0.53400E-03 ppm1      1.854 ppm2      4.048 CV     1
 ASSI {  403}
   (( segid "    " and resid 2    and name HG1 ))
   (( segid "    " and resid 3    and name HA  ))
      4.700     2.800     1.300 peak   403 spectrum    1 weight  0.10000E+01 volume  0.49542E-03 ppm1      1.647 ppm2      3.950 CV     1
 ASSI {  405}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 4    and name HB2 ))
      5.200     3.400     0.800 peak   405 spectrum    1 weight  0.10000E+01 volume  0.18311E-03 ppm1      1.947 ppm2      3.054 CV     1
 ASSI {  406}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 1    and name HB1 ))
      4.300     2.300     1.700 peak   406 spectrum    1 weight  0.10000E+01 volume  0.26066E-03 ppm1      1.822 ppm2      3.050 CV     1
 ASSI {  407}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HE1 ))
      4.200     2.200     1.800 peak   407 spectrum    1 weight  0.10000E+01 volume  0.71106E-03 ppm1      1.806 ppm2      2.986 CV     1
 ASSI {  410}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      5.000     3.100     1.000 peak   410 spectrum    1 weight  0.10000E+01 volume  0.24969E-03 ppm1      8.698 ppm2      1.795 CV     1
 ASSI {  412}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
      6.000     4.500     0.000 peak   412 spectrum    1 weight  0.10000E+01 volume  0.76129E-04 ppm1      8.167 ppm2      1.959 CV     1
 ASSI {  413}
   (( segid "    " and resid 6    and name HD1 ))
   (( segid "    " and resid 13   and name HB1 ))
      3.100     3.100     2.900 peak   413 spectrum    1 weight  0.10000E+01 volume  0.24087E-03 ppm1      7.328 ppm2      2.984 CV     1
 ASSI {  416}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 3    and name HN  ))
      3.400     1.400     1.400 peak   416 spectrum    1 weight  0.10000E+01 volume  0.41783E-03 ppm1      8.697 ppm2      8.269 CV     1
 ASSI {    1}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 4    and name HN  ))
      5.400     3.600     0.600 peak     1 spectrum    1 weight  0.10000E+01 volume  0.41149E-03 ppm1      9.894 ppm2      7.094 CV     1
 ASSI {    3}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     6.000     0.000 peak     3 spectrum    1 weight  0.10000E+01 volume  0.86671E-04 ppm1      9.894 ppm2      4.433 CV     1
 ASSI {    4}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 4    and name HB1 ))
      5.600     3.900     0.400 peak     4 spectrum    1 weight  0.10000E+01 volume  0.83666E-04 ppm1      9.894 ppm2      3.345 CV     1
 ASSI {    6}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 13   and name HB2 ))
      4.100     2.100     1.900 peak     6 spectrum    1 weight  0.10000E+01 volume  0.22583E-03 ppm1      9.896 ppm2      3.151 CV     1
 ASSI {    8}
   (( segid "    " and resid 6    and name HE1 ))
   (( segid "    " and resid 6    and name HB2 ))
      4.900     3.100     1.100 peak     8 spectrum    1 weight  0.10000E+01 volume  0.36130E-03 ppm1      9.863 ppm2      3.314 CV     1
 ASSI {   12}
   (( segid "    " and resid 6    and name HE1 ))
   (( segid "    " and resid 6    and name HZ2 ))
      3.000     1.100     1.100 peak    12 spectrum    1 weight  0.10000E+01 volume  0.22952E-02 ppm1      9.865 ppm2      7.424 CV     1
 ASSI {   13}
   (( segid "    " and resid 6    and name HE1 ))
   (( segid "    " and resid 6    and name HN  ))
      5.600     3.900     0.400 peak    13 spectrum    1 weight  0.10000E+01 volume  0.66767E-04 ppm1      9.865 ppm2      7.786 CV     1
 ASSI {   15}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 2    and name HB1 ))
      3.400     1.400     1.400 peak    15 spectrum    1 weight  0.10000E+01 volume  0.43192E-03 ppm1      9.896 ppm2      1.128 CV     1
 ASSI {   16}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 2    and name HG1 ))
      4.300     2.300     1.700 peak    16 spectrum    1 weight  0.10000E+01 volume  0.96251E-03 ppm1      9.895 ppm2      1.651 CV     1
 ASSI {   21}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      4.300     2.300     1.700 peak    21 spectrum    1 weight  0.10000E+01 volume  0.69528E-03 ppm1      8.711 ppm2      1.821 CV     1
 ASSI {   23}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 1    and name HB1 ))
      3.100     1.200     1.200 peak    23 spectrum    1 weight  0.10000E+01 volume  0.10301E-02 ppm1      8.709 ppm2      3.056 CV     1
 ASSI {   24}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      4.200     2.200     1.800 peak    24 spectrum    1 weight  0.10000E+01 volume  0.30866E-03 ppm1      8.706 ppm2      3.157 CV     1
 ASSI {   27}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      3.000     1.100     1.100 peak    27 spectrum    1 weight  0.10000E+01 volume  0.19356E-02 ppm1      8.711 ppm2      4.419 CV     1
 ASSI {   28}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      4.500     2.500     1.500 peak    28 spectrum    1 weight  0.10000E+01 volume  0.24378E-03 ppm1      8.709 ppm2      7.098 CV     1
 ASSI {   33}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HB1 ))
      2.700     0.900     0.900 peak    33 spectrum    1 weight  0.10000E+01 volume  0.37486E-02 ppm1      8.281 ppm2      1.772 CV     1
 ASSI {   35}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 1    and name HB2 ))
      6.000     4.500     0.000 peak    35 spectrum    1 weight  0.10000E+01 volume  0.20219E-03 ppm1      8.282 ppm2      3.237 CV     1
 ASSI {   39}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 4    and name HD1 ))
      3.500     3.500     2.500 peak    39 spectrum    1 weight  0.10000E+01 volume  0.15317E-03 ppm1      8.279 ppm2      7.162 CV     1
 ASSI {   44}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HG1 ))
      5.100     3.300     0.900 peak    44 spectrum    1 weight  0.10000E+01 volume  0.14926E-03 ppm1      8.175 ppm2      2.610 CV     1
 ASSI {   45}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HG2 ))
      5.300     3.500     0.700 peak    45 spectrum    1 weight  0.10000E+01 volume  0.19834E-03 ppm1      8.176 ppm2      2.530 CV     1
 ASSI {   46}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      4.100     2.100     1.900 peak    46 spectrum    1 weight  0.10000E+01 volume  0.12380E-02 ppm1      8.177 ppm2      2.113 CV     1
 ASSI {   49}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HD1 ))
      4.900     3.000     1.100 peak    49 spectrum    1 weight  0.10000E+01 volume  0.55509E-03 ppm1      8.178 ppm2      1.664 CV     1
 ASSI {   50}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HG1 ))
      2.500     0.800     0.800 peak    50 spectrum    1 weight  0.10000E+01 volume  0.25228E-02 ppm1      8.175 ppm2      1.465 CV     1
 ASSI {   51}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HN2 ))
      4.700     2.700     1.300 peak    51 spectrum    1 weight  0.10000E+01 volume  0.47253E-03 ppm1      8.130 ppm2      7.101 CV     1
 ASSI {   57}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HN  ))
      2.000     0.500     0.500 peak    57 spectrum    1 weight  0.10000E+01 volume  0.61558E-02 ppm1      8.008 ppm2      7.619 CV     1
 ASSI {   59}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      2.900     1.100     1.100 peak    59 spectrum    1 weight  0.10000E+01 volume  0.32429E-02 ppm1      8.010 ppm2      4.117 CV     1
 ASSI {   61}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.700     1.700     1.700 peak    61 spectrum    1 weight  0.10000E+01 volume  0.34085E-03 ppm1      8.013 ppm2      2.031 CV     1
 ASSI {   62}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      2.200     0.600     0.600 peak    62 spectrum    1 weight  0.10000E+01 volume  0.10004E-01 ppm1      8.013 ppm2      1.828 CV     1
 ASSI {   65}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.500     0.800     0.800 peak    65 spectrum    1 weight  0.10000E+01 volume  0.43162E-02 ppm1      7.993 ppm2      4.364 CV     1
 ASSI {   68}
   (( segid "    " and resid 12   and name HN  ))
   (  segid "    " and resid 11   and name HD2%)
      5.000     3.100     1.000 peak    68 spectrum    1 weight  0.10000E+01 volume  0.51249E-03 ppm1      7.994 ppm2      0.886 CV     1
 ASSI {   72}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HD1 ))
      3.200     1.200     1.200 peak    72 spectrum    1 weight  0.10000E+01 volume  0.17842E-02 ppm1      7.795 ppm2      7.334 CV     1
 ASSI {   73}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HD1 ))
      5.500     3.800     0.500 peak    73 spectrum    1 weight  0.10000E+01 volume  0.15498E-03 ppm1      7.794 ppm2      7.166 CV     1
 ASSI {   74}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 4    and name HN  ))
      3.700     1.700     1.700 peak    74 spectrum    1 weight  0.10000E+01 volume  0.38829E-03 ppm1      7.795 ppm2      7.100 CV     1
 ASSI {   77}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      6.000     4.500     0.000 peak    77 spectrum    1 weight  0.10000E+01 volume  0.15026E-03 ppm1      7.794 ppm2      3.996 CV     1
 ASSI {   79}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 10   and name HE1 ))
      5.800     4.200     0.200 peak    79 spectrum    1 weight  0.10000E+01 volume  0.20671E-03 ppm1      8.013 ppm2      2.981 CV     1
 ASSI {   81}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 5    and name HB2 ))
      3.600     1.700     1.700 peak    81 spectrum    1 weight  0.10000E+01 volume  0.97532E-03 ppm1      7.795 ppm2      1.815 CV     1
 ASSI {   82}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HA  ))
      2.500     0.800     0.800 peak    82 spectrum    1 weight  0.10000E+01 volume  0.45049E-02 ppm1      7.652 ppm2      4.390 CV     1
 ASSI {   83}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      2.700     0.900     0.900 peak    83 spectrum    1 weight  0.10000E+01 volume  0.25623E-02 ppm1      7.690 ppm2      3.994 CV     1
 ASSI {   90}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 11   and name HA  ))
      2.600     0.800     0.800 peak    90 spectrum    1 weight  0.10000E+01 volume  0.33282E-02 ppm1      7.623 ppm2      4.359 CV     1
 ASSI {   91}
   (( segid "    " and resid 13   and name HN1 ))
   (( segid "    " and resid 13   and name HB2 ))
      4.800     2.800     1.200 peak    91 spectrum    1 weight  0.10000E+01 volume  0.31343E-03 ppm1      7.606 ppm2      3.168 CV     1
 ASSI {   92}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HD2 ))
      5.100     3.200     0.900 peak    92 spectrum    1 weight  0.10000E+01 volume  0.50116E-03 ppm1      7.689 ppm2      3.004 CV     1
 ASSI {   96}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 12   and name HA2 ))
      6.000     4.600     0.000 peak    96 spectrum    1 weight  0.10000E+01 volume  0.17018E-03 ppm1      7.620 ppm2      3.860 CV     1
 ASSI {   98}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      3.100     1.200     1.200 peak    98 spectrum    1 weight  0.10000E+01 volume  0.46713E-02 ppm1      7.650 ppm2      2.034 CV     1
 ASSI {   99}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      3.800     1.800     1.800 peak    99 spectrum    1 weight  0.10000E+01 volume  0.54815E-03 ppm1      7.689 ppm2      4.219 CV     1
 ASSI {  100}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
      5.200     3.400     0.800 peak   100 spectrum    1 weight  0.10000E+01 volume  0.21359E-03 ppm1      7.683 ppm2      1.945 CV     1
 ASSI {  101}
   (( segid "    " and resid 13   and name HN1 ))
   (( segid "    " and resid 11   and name HG  ))
      2.500     0.800     0.800 peak   101 spectrum    1 weight  0.10000E+01 volume  0.42481E-02 ppm1      7.617 ppm2      1.656 CV     1
 ASSI {  102}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HG2 ))
      3.500     1.500     1.500 peak   102 spectrum    1 weight  0.10000E+01 volume  0.61674E-03 ppm1      7.632 ppm2      1.455 CV     1
 ASSI {  103}
   (( segid "    " and resid 11   and name HN  ))
   (  segid "    " and resid 11   and name HD1%)
      4.800     2.800     1.200 peak   103 spectrum    1 weight  0.10000E+01 volume  0.57506E-03 ppm1      7.631 ppm2      0.928 CV     1
 ASSI {  106}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 4    and name HA  ))
      4.500     2.500     1.500 peak   106 spectrum    1 weight  0.10000E+01 volume  0.29139E-03 ppm1      7.586 ppm2      4.630 CV     1
 ASSI {  111}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 7    and name HB2 ))
      3.700     1.700     1.700 peak   111 spectrum    1 weight  0.10000E+01 volume  0.24417E-03 ppm1      7.583 ppm2      1.582 CV     1
 ASSI {  114}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     5.100     0.000 peak   114 spectrum    1 weight  0.10000E+01 volume  0.18039E-03 ppm1      7.375 ppm2      3.953 CV     1
 ASSI {  118}
   (  segid "    " and resid 10   and name HZ% )
   (( segid "    " and resid 10   and name HB1 ))
      4.900     3.000     1.100 peak   118 spectrum    1 weight  0.10000E+01 volume  0.34374E-03 ppm1      7.424 ppm2      1.824 CV     1
 ASSI {  120}
   (  segid "    " and resid 9    and name HZ% )
   (( segid "    " and resid 9    and name HG1 ))
      3.700     1.800     1.800 peak   120 spectrum    1 weight  0.10000E+01 volume  0.81162E-03 ppm1      7.471 ppm2      1.468 CV     1
 ASSI {  123}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 4    and name HH2 ))
      2.400     0.700     0.700 peak   123 spectrum    1 weight  0.10000E+01 volume  0.98084E-02 ppm1      7.376 ppm2      7.067 CV     1
 ASSI {  124}
   (( segid "    " and resid 6    and name HD1 ))
   (( segid "    " and resid 6    and name HA  ))
      3.900     1.900     1.900 peak   124 spectrum    1 weight  0.10000E+01 volume  0.16854E-02 ppm1      7.336 ppm2      4.455 CV     1
 ASSI {  125}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      2.900     1.000     1.000 peak   125 spectrum    1 weight  0.10000E+01 volume  0.14983E-02 ppm1      7.364 ppm2      4.222 CV     1
 ASSI {  126}
   (( segid "    " and resid 6    and name HD1 ))
   (( segid "    " and resid 3    and name HA  ))
      3.900     1.900     1.900 peak   126 spectrum    1 weight  0.10000E+01 volume  0.51050E-03 ppm1      7.336 ppm2      3.955 CV     1
 ASSI {  130}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      4.200     2.200     1.800 peak   130 spectrum    1 weight  0.10000E+01 volume  0.35128E-03 ppm1      7.378 ppm2      3.154 CV     1
 ASSI {  131}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
      3.000     1.100     1.100 peak   131 spectrum    1 weight  0.10000E+01 volume  0.23804E-02 ppm1      7.366 ppm2      1.951 CV     1
 ASSI {  133}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 2    and name HA  ))
      5.700     4.000     0.300 peak   133 spectrum    1 weight  0.10000E+01 volume  0.26267E-03 ppm1      7.088 ppm2      4.412 CV     1
 ASSI {  140}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 2    and name HA  ))
      6.000     5.200     0.000 peak   140 spectrum    1 weight  0.10000E+01 volume  0.13356E-03 ppm1      7.172 ppm2      4.424 CV     1
 ASSI {  141}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 5    and name HA  ))
      5.400     3.600     0.600 peak   141 spectrum    1 weight  0.10000E+01 volume  0.25950E-03 ppm1      7.177 ppm2      4.215 CV     1
 ASSI {  142}
   (( segid "    " and resid 13   and name HN2 ))
   (( segid "    " and resid 12   and name HA2 ))
      3.700     3.700     2.300 peak   142 spectrum    1 weight  0.10000E+01 volume  0.76414E-04 ppm1      7.117 ppm2      3.869 CV     1
 ASSI {  143}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 3    and name HA  ))
      5.900     4.300     0.100 peak   143 spectrum    1 weight  0.10000E+01 volume  0.12685E-03 ppm1      7.179 ppm2      3.953 CV     1
 ASSI {  145}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 5    and name HG1 ))
      5.100     3.200     0.900 peak   145 spectrum    1 weight  0.10000E+01 volume  0.34498E-03 ppm1      7.176 ppm2      1.936 CV     1
 ASSI {  147}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 3    and name HG1 ))
      3.400     1.400     1.400 peak   147 spectrum    1 weight  0.10000E+01 volume  0.85184E-03 ppm1      7.176 ppm2      1.506 CV     1
 ASSI {  150}
   (( segid "    " and resid 6    and name HH2 ))
   (( segid "    " and resid 4    and name HA  ))
      4.000     2.000     2.000 peak   150 spectrum    1 weight  0.10000E+01 volume  0.91036E-03 ppm1      7.112 ppm2      4.624 CV     1
 ASSI {  151}
   (( segid "    " and resid 7    and name HE  ))
   (( segid "    " and resid 6    and name HA  ))
      4.700     2.700     1.300 peak   151 spectrum    1 weight  0.10000E+01 volume  0.14638E-03 ppm1      7.056 ppm2      4.448 CV     1
 ASSI {  155}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      4.900     3.100     1.100 peak   155 spectrum    1 weight  0.10000E+01 volume  0.32541E-03 ppm1      7.091 ppm2      3.306 CV     1
 ASSI {  157}
   (( segid "    " and resid 5    and name HE21))
   (( segid "    " and resid 5    and name HB2 ))
      3.700     1.700     1.700 peak   157 spectrum    1 weight  0.10000E+01 volume  0.14323E-02 ppm1      7.106 ppm2      1.814 CV     1
 ASSI {  159}
   (( segid "    " and resid 5    and name HE21))
   (( segid "    " and resid 10   and name HG2 ))
      2.500     0.800     0.800 peak   159 spectrum    1 weight  0.10000E+01 volume  0.19546E-02 ppm1      7.105 ppm2      1.469 CV     1
 ASSI {  162}
   (( segid "    " and resid 4    and name HH2 ))
   (  segid "    " and resid 11   and name HD1%)
      6.000     4.500     0.000 peak   162 spectrum    1 weight  0.10000E+01 volume  0.21733E-03 ppm1      7.056 ppm2      0.927 CV     1
 ASSI {  163}
   (( segid "    " and resid 3    and name HE  ))
   (( segid "    " and resid 3    and name HA  ))
      6.000     4.800     0.000 peak   163 spectrum    1 weight  0.10000E+01 volume  0.15699E-03 ppm1      6.994 ppm2      3.953 CV     1
 ASSI {  164}
   (( segid "    " and resid 3    and name HE  ))
   (( segid "    " and resid 3    and name HB1 ))
      4.400     2.400     1.600 peak   164 spectrum    1 weight  0.10000E+01 volume  0.12068E-02 ppm1      6.988 ppm2      1.764 CV     1
 ASSI {  167}
   (( segid "    " and resid 5    and name HE22))
   (( segid "    " and resid 5    and name HB2 ))
      5.000     3.100     1.000 peak   167 spectrum    1 weight  0.10000E+01 volume  0.22757E-03 ppm1      6.702 ppm2      1.820 CV     1
 ASSI {  168}
   (( segid "    " and resid 5    and name HE22))
   (( segid "    " and resid 10   and name HG2 ))
      5.000     3.100     1.000 peak   168 spectrum    1 weight  0.10000E+01 volume  0.37790E-03 ppm1      6.702 ppm2      1.470 CV     1
 ASSI {  172}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 13   and name HA  ))
      5.200     3.400     0.800 peak   172 spectrum    1 weight  0.10000E+01 volume  0.75964E-03 ppm1      3.228 ppm2      4.559 CV     1
 ASSI {  174}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 13   and name HA  ))
      4.700     2.700     1.300 peak   174 spectrum    1 weight  0.10000E+01 volume  0.74869E-03 ppm1      3.066 ppm2      4.549 CV     1
 ASSI {  176}
   (( segid "    " and resid 2    and name HD2 ))
   (( segid "    " and resid 2    and name HA  ))
      3.700     1.700     1.700 peak   176 spectrum    1 weight  0.10000E+01 volume  0.20536E-02 ppm1      3.237 ppm2      4.423 CV     1
 ASSI {  178}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 6    and name HA  ))
      4.200     2.200     1.800 peak   178 spectrum    1 weight  0.10000E+01 volume  0.86407E-03 ppm1      1.860 ppm2      4.453 CV     1
 ASSI {  182}
   (( segid "    " and resid 8    and name HG1 ))
   (( segid "    " and resid 8    and name HA  ))
      3.900     1.900     1.900 peak   182 spectrum    1 weight  0.10000E+01 volume  0.13772E-02 ppm1      2.619 ppm2      4.390 CV     1
 ASSI {  186}
   (( segid "    " and resid 11   and name HB1 ))
   (( segid "    " and resid 11   and name HA  ))
      2.900     1.000     1.000 peak   186 spectrum    1 weight  0.10000E+01 volume  0.46030E-02 ppm1      1.751 ppm2      4.364 CV     1
 ASSI {  187}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 11   and name HA  ))
      2.400     0.700     0.700 peak   187 spectrum    1 weight  0.10000E+01 volume  0.11379E-01 ppm1      1.656 ppm2      4.372 CV     1
 ASSI {  188}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 11   and name HA  ))
      5.100     3.200     0.900 peak   188 spectrum    1 weight  0.10000E+01 volume  0.51967E-03 ppm1      1.461 ppm2      4.372 CV     1
 ASSI {  192}
   (( segid "    " and resid 6    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      5.300     3.500     0.700 peak   192 spectrum    1 weight  0.10000E+01 volume  0.26167E-03 ppm1      3.312 ppm2      4.221 CV     1
 ASSI {  193}
   (( segid "    " and resid 10   and name HE1 ))
   (( segid "    " and resid 10   and name HA  ))
      5.600     3.900     0.400 peak   193 spectrum    1 weight  0.10000E+01 volume  0.29028E-03 ppm1      2.991 ppm2      4.204 CV     1
 ASSI {  196}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 5    and name HA  ))
      5.900     4.300     0.100 peak   196 spectrum    1 weight  0.10000E+01 volume  0.18980E-03 ppm1      2.112 ppm2      4.220 CV     1
 ASSI {  198}
   (( segid "    " and resid 10   and name HB1 ))
   (( segid "    " and resid 10   and name HA  ))
      2.300     0.600     0.600 peak   198 spectrum    1 weight  0.10000E+01 volume  0.99119E-02 ppm1      1.829 ppm2      4.206 CV     1
 ASSI {  199}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 10   and name HA  ))
      4.200     2.200     1.800 peak   199 spectrum    1 weight  0.10000E+01 volume  0.18988E-02 ppm1      1.668 ppm2      4.197 CV     1
 ASSI {  200}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 10   and name HA  ))
      3.300     1.300     1.300 peak   200 spectrum    1 weight  0.10000E+01 volume  0.33389E-02 ppm1      1.461 ppm2      4.207 CV     1
 ASSI {  206}
   (( segid "    " and resid 9    and name HG1 ))
   (( segid "    " and resid 9    and name HA  ))
      2.800     1.000     1.000 peak   206 spectrum    1 weight  0.10000E+01 volume  0.28362E-02 ppm1      1.458 ppm2      4.114 CV     1
 ASSI {  209}
   (( segid "    " and resid 7    and name HD2 ))
   (( segid "    " and resid 7    and name HA  ))
      3.700     1.700     1.700 peak   209 spectrum    1 weight  0.10000E+01 volume  0.17772E-02 ppm1      2.999 ppm2      3.987 CV     1
 ASSI {  210}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HA  ))
      2.400     0.700     0.700 peak   210 spectrum    1 weight  0.10000E+01 volume  0.61654E-02 ppm1      1.781 ppm2      3.956 CV     1
 ASSI {  212}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HA  ))
      3.200     1.300     1.300 peak   212 spectrum    1 weight  0.10000E+01 volume  0.14587E-02 ppm1      1.103 ppm2      3.992 CV     1
 ASSI {  222}
   (( segid "    " and resid 9    and name HB1 ))
   (( segid "    " and resid 9    and name HE1 ))
      3.700     1.700     1.700 peak   222 spectrum    1 weight  0.10000E+01 volume  0.93334E-03 ppm1      1.866 ppm2      2.983 CV     1
 ASSI {  229}
   (( segid "    " and resid 8    and name HB1 ))
   (( segid "    " and resid 8    and name HG1 ))
      3.200     1.200     1.200 peak   229 spectrum    1 weight  0.10000E+01 volume  0.31202E-02 ppm1      2.115 ppm2      2.612 CV     1
 ASSI {  234}
   (( segid "    " and resid 7    and name HG2 ))
   (( segid "    " and resid 7    and name HB1 ))
      3.000     1.100     1.100 peak   234 spectrum    1 weight  0.10000E+01 volume  0.35991E-02 ppm1      1.098 ppm2      1.758 CV     1
 ASSI {  235}
   (  segid "    " and resid 11   and name HD1%)
   (( segid "    " and resid 11   and name HB1 ))
      3.300     1.300     1.300 peak   235 spectrum    1 weight  0.10000E+01 volume  0.54561E-02 ppm1      0.933 ppm2      1.756 CV     1
 ASSI {  236}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HB1 ))
      2.800     1.000     1.000 peak   236 spectrum    1 weight  0.10000E+01 volume  0.29544E-02 ppm1      0.887 ppm2      1.749 CV     1
 ASSI {  237}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 2    and name HG1 ))
      2.300     0.700     0.700 peak   237 spectrum    1 weight  0.10000E+01 volume  0.11014E-01 ppm1      1.130 ppm2      1.651 CV     1
 ASSI {  239}
   (  segid "    " and resid 11   and name HD2%)
   (( segid "    " and resid 11   and name HG  ))
      2.300     0.700     0.700 peak   239 spectrum    1 weight  0.10000E+01 volume  0.83640E-02 ppm1      0.888 ppm2      1.652 CV     1
 ASSI {  241}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 3    and name HE  ))
      5.100     3.300     0.900 peak   241 spectrum    1 weight  0.10000E+01 volume  0.60042E-04 ppm1      9.892 ppm2      6.996 CV     1
 ASSI {  242}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 5    and name HE22))
      5.900     4.300     0.100 peak   242 spectrum    1 weight  0.10000E+01 volume  0.52464E-04 ppm1      9.896 ppm2      6.693 CV     1
 ASSI {  243}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 4    and name HB2 ))
      4.700     2.800     1.300 peak   243 spectrum    1 weight  0.10000E+01 volume  0.24029E-03 ppm1      9.894 ppm2      3.057 CV     1
 ASSI {  244}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 3    and name HG1 ))
      4.100     2.100     1.900 peak   244 spectrum    1 weight  0.10000E+01 volume  0.29576E-03 ppm1      9.894 ppm2      1.504 CV     1
 ASSI {  245}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.700     0.000 peak   245 spectrum    1 weight  0.10000E+01 volume  0.85900E-04 ppm1      8.708 ppm2      7.358 CV     1
 ASSI {  246}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      6.000     5.500     0.000 peak   246 spectrum    1 weight  0.10000E+01 volume  0.54483E-04 ppm1      8.707 ppm2      4.216 CV     1
 ASSI {  247}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 13   and name HB1 ))
      5.200     3.400     0.800 peak   247 spectrum    1 weight  0.10000E+01 volume  0.10714E-03 ppm1      8.709 ppm2      2.982 CV     1
 ASSI {  248}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      6.000     4.800     0.000 peak   248 spectrum    1 weight  0.10000E+01 volume  0.10792E-03 ppm1      8.283 ppm2      7.361 CV     1
 ASSI {  249}
   (( segid "    " and resid 3    and name HN  ))
   (( segid "    " and resid 3    and name HE  ))
      5.200     3.400     0.800 peak   249 spectrum    1 weight  0.10000E+01 volume  0.13717E-03 ppm1      8.280 ppm2      6.985 CV     1
 ASSI {  250}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 12   and name HN  ))
      2.400     0.700     0.700 peak   250 spectrum    1 weight  0.10000E+01 volume  0.39947E-02 ppm1      8.132 ppm2      7.992 CV     1
 ASSI {  251}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 13   and name HN1 ))
      2.900     1.000     1.000 peak   251 spectrum    1 weight  0.10000E+01 volume  0.16394E-02 ppm1      8.133 ppm2      7.602 CV     1
 ASSI {  252}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 6    and name HN  ))
      5.800     4.200     0.200 peak   252 spectrum    1 weight  0.10000E+01 volume  0.10440E-03 ppm1      8.179 ppm2      7.785 CV     1
 ASSI {  253}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      4.800     2.900     1.200 peak   253 spectrum    1 weight  0.10000E+01 volume  0.16254E-03 ppm1      8.176 ppm2      4.216 CV     1
 ASSI {  255}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HB1 ))
      3.800     1.800     1.800 peak   255 spectrum    1 weight  0.10000E+01 volume  0.28555E-03 ppm1      8.126 ppm2      1.751 CV     1
 ASSI {  259}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 9    and name HG1 ))
      4.700     2.700     1.300 peak   259 spectrum    1 weight  0.10000E+01 volume  0.21452E-03 ppm1      7.796 ppm2      1.470 CV     1
 ASSI {  260}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HZ3 ))
      4.600     2.600     1.400 peak   260 spectrum    1 weight  0.10000E+01 volume  0.55617E-03 ppm1      7.689 ppm2      7.048 CV     1
 ASSI {  261}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 5    and name HE22))
      5.900     4.300     0.100 peak   261 spectrum    1 weight  0.10000E+01 volume  0.10995E-03 ppm1      7.634 ppm2      6.703 CV     1
 ASSI {  262}
   (( segid "    " and resid 13   and name HN1 ))
   (( segid "    " and resid 4    and name HD1 ))
      2.600     2.600     3.400 peak   262 spectrum    1 weight  0.10000E+01 volume  0.68373E-03 ppm1      7.607 ppm2      7.166 CV     1
 ASSI {  263}
   (( segid "    " and resid 6    and name HZ2 ))
   (( segid "    " and resid 3    and name HA  ))
      3.500     3.500     2.500 peak   263 spectrum    1 weight  0.10000E+01 volume  0.10091E-03 ppm1      7.418 ppm2      3.961 CV     1
 ASSI {  265}
   (( segid "    " and resid 13   and name HN1 ))
   (( segid "    " and resid 13   and name HB1 ))
      4.400     2.400     1.600 peak   265 spectrum    1 weight  0.10000E+01 volume  0.48722E-03 ppm1      7.607 ppm2      2.980 CV     1
 ASSI {  267}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 9    and name HG1 ))
      6.000     4.900     0.000 peak   267 spectrum    1 weight  0.10000E+01 volume  0.80614E-04 ppm1      7.590 ppm2      1.474 CV     1
 ASSI {  268}
   (  segid "    " and resid 10   and name HZ% )
   (( segid "    " and resid 10   and name HG2 ))
      4.000     2.000     2.000 peak   268 spectrum    1 weight  0.10000E+01 volume  0.75216E-03 ppm1      7.425 ppm2      1.463 CV     1
 ASSI {  270}
   (( segid "    " and resid 6    and name HD1 ))
   (( segid "    " and resid 3    and name HG1 ))
      2.800     2.800     3.200 peak   270 spectrum    1 weight  0.10000E+01 volume  0.42826E-03 ppm1      7.337 ppm2      1.512 CV     1
 ASSI {  273}
   (( segid "    " and resid 4    and name HE3 ))
   (( segid "    " and resid 5    and name HE22))
      4.600     2.700     1.400 peak   273 spectrum    1 weight  0.10000E+01 volume  0.12116E-03 ppm1      7.471 ppm2      6.694 CV     1
 ASSI {  274}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 2    and name HB1 ))
      3.800     1.800     1.800 peak   274 spectrum    1 weight  0.10000E+01 volume  0.36278E-03 ppm1      7.176 ppm2      1.129 CV     1
 ASSI {  275}
   (( segid "    " and resid 5    and name HE21))
   (  segid "    " and resid 8    and name HE% )
      4.400     2.400     1.600 peak   275 spectrum    1 weight  0.10000E+01 volume  0.19492E-03 ppm1      7.114 ppm2      2.073 CV     1
 ASSI {  280}
   (( segid "    " and resid 3    and name HE  ))
   (( segid "    " and resid 2    and name HG1 ))
      5.600     3.900     0.400 peak   280 spectrum    1 weight  0.10000E+01 volume  0.15042E-03 ppm1      6.991 ppm2      1.656 CV     1
 ASSI {  282}
   (( segid "    " and resid 5    and name HE22))
   (( segid "    " and resid 11   and name HA  ))
      6.000     6.000     0.000 peak   282 spectrum    1 weight  0.10000E+01 volume  0.58020E-04 ppm1      6.699 ppm2      4.357 CV     1
 ASSI {  283}
   (( segid "    " and resid 5    and name HE22))
   (( segid "    " and resid 5    and name HA  ))
      6.000     5.600     0.000 peak   283 spectrum    1 weight  0.10000E+01 volume  0.65726E-04 ppm1      6.702 ppm2      4.219 CV     1
 ASSI {  285}
   (( segid "    " and resid 5    and name HE22))
   (( segid "    " and resid 10   and name HE1 ))
      4.600     2.600     1.400 peak   285 spectrum    1 weight  0.10000E+01 volume  0.37762E-03 ppm1      6.696 ppm2      2.995 CV     1
 ASSI {  286}
   (( segid "    " and resid 5    and name HE22))
   (  segid "    " and resid 8    and name HE% )
      5.800     4.200     0.200 peak   286 spectrum    1 weight  0.10000E+01 volume  0.93263E-04 ppm1      6.702 ppm2      2.078 CV     1
 ASSI {  287}
   (( segid "    " and resid 5    and name HE22))
   (( segid "    " and resid 10   and name HD1 ))
      5.600     4.000     0.400 peak   287 spectrum    1 weight  0.10000E+01 volume  0.16932E-03 ppm1      6.702 ppm2      1.658 CV     1
 ASSI {  289}
   (( segid "    " and resid 12   and name HA2 ))
   (( segid "    " and resid 13   and name HA  ))
      6.000     5.200     0.000 peak   289 spectrum    1 weight  0.10000E+01 volume  0.86056E-04 ppm1      3.866 ppm2      4.556 CV     1
 ASSI {  293}
   (( segid "    " and resid 3    and name HB1 ))
   (( segid "    " and resid 3    and name HD1 ))
      2.800     1.000     1.000 peak   293 spectrum    1 weight  0.10000E+01 volume  0.51757E-02 ppm1      1.768 ppm2      3.103 CV     1
 ASSI {  296}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 5    and name HG1 ))
      2.200     2.200     3.800 peak   296 spectrum    1 weight  0.10000E+01 volume  0.73068E-02 ppm1      1.465 ppm2      1.938 CV     1
 ASSI {  297}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 5    and name HG1 ))
      1.900     1.900     4.100 peak   297 spectrum    1 weight  0.10000E+01 volume  0.33571E-01 ppm1      1.827 ppm2      1.944 CV     1
 ASSI {  298}
   (( segid "    " and resid 10   and name HD1 ))
   (( segid "    " and resid 8    and name HB1 ))
      2.000     2.000     4.000 peak   298 spectrum    1 weight  0.10000E+01 volume  0.34522E-02 ppm1      1.668 ppm2      2.100 CV     1
 ASSI {  301}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 9    and name HB1 ))
      2.300     2.300     3.700 peak   301 spectrum    1 weight  0.10000E+01 volume  0.19912E-01 ppm1      1.666 ppm2      1.854 CV     1
 ASSI {  306}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 5    and name HN  ))
      5.000     3.200     1.000 peak   306 spectrum    1 weight  0.10000E+01 volume  0.23614E-03 ppm1      7.688 ppm2      7.368 CV     1
 ASSI {  307}
   (( segid "    " and resid 6    and name HD1 ))
   (( segid "    " and resid 13   and name HB2 ))
      3.700     3.700     2.300 peak   307 spectrum    1 weight  0.10000E+01 volume  0.72644E-04 ppm1      7.337 ppm2      3.157 CV     1
 ASSI {  309}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 3    and name HB1 ))
      4.400     2.500     1.600 peak   309 spectrum    1 weight  0.10000E+01 volume  0.74096E-03 ppm1      7.175 ppm2      1.763 CV     1
 ASSI {  310}
   (( segid "    " and resid 6    and name HZ3 ))
   (( segid "    " and resid 5    and name HA  ))
      5.400     3.600     0.600 peak   310 spectrum    1 weight  0.10000E+01 volume  0.30337E-03 ppm1      7.053 ppm2      4.215 CV     1
 ASSI {  311}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HB1 ))
      3.400     1.400     1.400 peak   311 spectrum    1 weight  0.10000E+01 volume  0.30600E-02 ppm1      7.630 ppm2      1.830 CV     1
 ASSI {  312}
   (( segid "    " and resid 6    and name HE1 ))
   (( segid "    " and resid 4    and name HN  ))
      4.200     2.200     1.800 peak   312 spectrum    1 weight  0.10000E+01 volume  0.20844E-03 ppm1      9.865 ppm2      7.096 CV     1
 ASSI {  313}
   (( segid "    " and resid 6    and name HE1 ))
   (( segid "    " and resid 6    and name HE3 ))
      5.700     4.100     0.300 peak   313 spectrum    1 weight  0.10000E+01 volume  0.58527E-04 ppm1      9.863 ppm2      7.583 CV     1
 ASSI {  314}
   (( segid "    " and resid 6    and name HE1 ))
   (( segid "    " and resid 3    and name HB1 ))
      6.000     6.000     0.000 peak   314 spectrum    1 weight  0.10000E+01 volume  0.88950E-04 ppm1      9.862 ppm2      1.764 CV     1
 ASSI {  316}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 6    and name HB2 ))
      6.000     6.000     0.000 peak   316 spectrum    1 weight  0.10000E+01 volume  0.56126E-04 ppm1      8.705 ppm2      3.313 CV     1
 ASSI {  317}
   (( segid "    " and resid 2    and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      5.400     3.600     0.600 peak   317 spectrum    1 weight  0.10000E+01 volume  0.30399E-03 ppm1      8.710 ppm2      4.554 CV     1
 ASSI {  318}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 5    and name HE21))
      6.000     5.400     0.000 peak   318 spectrum    1 weight  0.10000E+01 volume  0.74644E-04 ppm1      8.175 ppm2      7.093 CV     1
 ASSI {  321}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HA  ))
      4.300     2.400     1.700 peak   321 spectrum    1 weight  0.10000E+01 volume  0.25004E-03 ppm1      8.177 ppm2      3.992 CV     1
 ASSI {  322}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 9    and name HE1 ))
      5.100     3.200     0.900 peak   322 spectrum    1 weight  0.10000E+01 volume  0.37265E-03 ppm1      8.179 ppm2      2.986 CV     1
 ASSI {  323}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 8    and name HG1 ))
      4.900     2.900     1.100 peak   323 spectrum    1 weight  0.10000E+01 volume  0.87712E-04 ppm1      8.013 ppm2      2.607 CV     1
 ASSI {  325}
   (( segid "    " and resid 9    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      3.300     3.300     2.700 peak   325 spectrum    1 weight  0.10000E+01 volume  0.15715E-03 ppm1      8.175 ppm2      1.586 CV     1
 ASSI {  326}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 11   and name HG  ))
      3.800     1.800     1.800 peak   326 spectrum    1 weight  0.10000E+01 volume  0.52509E-03 ppm1      8.130 ppm2      1.661 CV     1
 ASSI {  327}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
      5.500     3.800     0.500 peak   327 spectrum    1 weight  0.10000E+01 volume  0.79219E-04 ppm1      7.989 ppm2      1.940 CV     1
 ASSI {  328}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      6.000     6.000     0.000 peak   328 spectrum    1 weight  0.10000E+01 volume  0.39197E-04 ppm1      7.796 ppm2      1.091 CV     1
 ASSI {  329}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HB2 ))
      6.000     4.700     0.000 peak   329 spectrum    1 weight  0.10000E+01 volume  0.20277E-03 ppm1      7.797 ppm2      1.593 CV     1
 ASSI {  330}
   (( segid "    " and resid 12   and name HN  ))
   (( segid "    " and resid 13   and name HA  ))
      6.000     6.000     0.000 peak   330 spectrum    1 weight  0.10000E+01 volume  0.90256E-04 ppm1      7.988 ppm2      4.548 CV     1
 ASSI {  331}
   (( segid "    " and resid 10   and name HN  ))
   (( segid "    " and resid 5    and name HE21))
      5.100     3.200     0.900 peak   331 spectrum    1 weight  0.10000E+01 volume  0.14916E-03 ppm1      8.006 ppm2      7.101 CV     1
 ASSI {  332}
   (( segid "    " and resid 13   and name HN1 ))
   (( segid "    " and resid 3    and name HE  ))
      2.700     2.700     3.300 peak   332 spectrum    1 weight  0.10000E+01 volume  0.49193E-03 ppm1      7.607 ppm2      6.991 CV     1
 ASSI {  335}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      2.700     0.900     0.900 peak   335 spectrum    1 weight  0.10000E+01 volume  0.26831E-02 ppm1      7.691 ppm2      4.455 CV     1
 ASSI {  336}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 10   and name HE1 ))
      4.800     2.900     1.200 peak   336 spectrum    1 weight  0.10000E+01 volume  0.42059E-03 ppm1      7.642 ppm2      2.993 CV     1
 ASSI {  339}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 7    and name HB1 ))
      3.600     1.600     1.600 peak   339 spectrum    1 weight  0.10000E+01 volume  0.25813E-02 ppm1      7.688 ppm2      1.761 CV     1
 ASSI {  342}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG1 ))
      5.200     3.400     0.800 peak   342 spectrum    1 weight  0.10000E+01 volume  0.44695E-03 ppm1      7.649 ppm2      1.172 CV     1
 ASSI {  343}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 7    and name HG2 ))
      4.800     2.900     1.200 peak   343 spectrum    1 weight  0.10000E+01 volume  0.51277E-03 ppm1      7.649 ppm2      1.099 CV     1
 ASSI {  344}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 7    and name HG2 ))
      4.000     2.000     2.000 peak   344 spectrum    1 weight  0.10000E+01 volume  0.13606E-03 ppm1      7.584 ppm2      1.097 CV     1
 ASSI {  346}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 2    and name HB1 ))
      5.500     3.800     0.500 peak   346 spectrum    1 weight  0.10000E+01 volume  0.25083E-03 ppm1      7.370 ppm2      1.122 CV     1
 ASSI {  348}
   (  segid "    " and resid 9    and name HZ% )
   (( segid "    " and resid 9    and name HD1 ))
      3.900     1.900     1.900 peak   348 spectrum    1 weight  0.10000E+01 volume  0.74411E-03 ppm1      7.469 ppm2      1.674 CV     1
 ASSI {  349}
   (  segid "    " and resid 9    and name HZ% )
   (( segid "    " and resid 9    and name HB1 ))
      4.800     2.900     1.200 peak   349 spectrum    1 weight  0.10000E+01 volume  0.34762E-03 ppm1      7.473 ppm2      1.852 CV     1
 ASSI {  350}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB2 ))
      3.400     1.400     1.400 peak   350 spectrum    1 weight  0.10000E+01 volume  0.64998E-03 ppm1      7.369 ppm2      3.053 CV     1
 ASSI {  352}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HB1 ))
      4.200     2.200     1.800 peak   352 spectrum    1 weight  0.10000E+01 volume  0.60909E-03 ppm1      7.370 ppm2      3.343 CV     1
 ASSI {  353}
   (( segid "    " and resid 6    and name HD1 ))
   (( segid "    " and resid 4    and name HA  ))
      3.900     1.900     1.900 peak   353 spectrum    1 weight  0.10000E+01 volume  0.11898E-02 ppm1      7.339 ppm2      4.629 CV     1
 ASSI {  354}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      3.100     1.200     1.200 peak   354 spectrum    1 weight  0.10000E+01 volume  0.23871E-02 ppm1      7.368 ppm2      4.629 CV     1
 ASSI {  355}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 13   and name HB2 ))
      4.600     2.600     1.400 peak   355 spectrum    1 weight  0.10000E+01 volume  0.10563E-03 ppm1      7.177 ppm2      3.162 CV     1
 ASSI {  356}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 1    and name HB2 ))
      6.000     5.200     0.000 peak   356 spectrum    1 weight  0.10000E+01 volume  0.14027E-03 ppm1      7.177 ppm2      3.240 CV     1
 ASSI {  364}
   (( segid "    " and resid 5    and name HE22))
   (( segid "    " and resid 13   and name HA  ))
      5.600     4.000     0.400 peak   364 spectrum    1 weight  0.10000E+01 volume  0.56036E-04 ppm1      6.697 ppm2      4.562 CV     1
 ASSI {  365}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 8    and name HA  ))
      4.500     2.500     1.500 peak   365 spectrum    1 weight  0.10000E+01 volume  0.34051E-03 ppm1      4.124 ppm2      4.386 CV     1
 ASSI {  368}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 1    and name HA  ))
      5.200     3.400     0.800 peak   368 spectrum    1 weight  0.10000E+01 volume  0.28347E-03 ppm1      2.984 ppm2      4.359 CV     1
 ASSI {  371}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HD2 ))
      3.300     1.300     1.300 peak   371 spectrum    1 weight  0.10000E+01 volume  0.32337E-02 ppm1      1.762 ppm2      3.001 CV     1
 ASSI {  372}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 2    and name HD2 ))
      3.600     1.600     1.600 peak   372 spectrum    1 weight  0.10000E+01 volume  0.68270E-03 ppm1      1.134 ppm2      3.235 CV     1
 ASSI {  374}
   (( segid "    " and resid 6    and name HE1 ))
   (( segid "    " and resid 4    and name HA  ))
      4.100     2.100     1.900 peak   374 spectrum    1 weight  0.10000E+01 volume  0.34843E-03 ppm1      9.865 ppm2      4.624 CV     1
 ASSI {  375}
   (( segid "    " and resid 4    and name HE1 ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.500     0.000 peak   375 spectrum    1 weight  0.10000E+01 volume  0.14886E-03 ppm1      9.896 ppm2      4.627 CV     1
 ASSI {  376}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 8    and name HN  ))
      4.000     2.000     2.000 peak   376 spectrum    1 weight  0.10000E+01 volume  0.10761E-02 ppm1      7.795 ppm2      7.640 CV     1
 ASSI {  377}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HZ3 ))
      5.700     4.000     0.300 peak   377 spectrum    1 weight  0.10000E+01 volume  0.19366E-03 ppm1      7.794 ppm2      7.058 CV     1
 ASSI {  378}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 3    and name HA  ))
      5.800     4.300     0.200 peak   378 spectrum    1 weight  0.10000E+01 volume  0.99710E-04 ppm1      7.793 ppm2      3.950 CV     1
 ASSI {  380}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      5.400     3.700     0.600 peak   380 spectrum    1 weight  0.10000E+01 volume  0.13084E-03 ppm1      7.690 ppm2      4.629 CV     1
 ASSI {  381}
   (( segid "    " and resid 8    and name HN  ))
   (( segid "    " and resid 4    and name HA  ))
      5.900     4.400     0.100 peak   381 spectrum    1 weight  0.10000E+01 volume  0.90601E-04 ppm1      7.646 ppm2      4.630 CV     1
 ASSI {  383}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 6    and name HA  ))
      4.700     2.800     1.300 peak   383 spectrum    1 weight  0.10000E+01 volume  0.22838E-03 ppm1      7.369 ppm2      4.454 CV     1
 ASSI {  384}
   (( segid "    " and resid 6    and name HZ3 ))
   (( segid "    " and resid 4    and name HA  ))
      4.300     2.300     1.700 peak   384 spectrum    1 weight  0.10000E+01 volume  0.56964E-03 ppm1      7.059 ppm2      4.625 CV     1
 ASSI {  386}
   (( segid "    " and resid 4    and name HN  ))
   (( segid "    " and resid 5    and name HA  ))
      5.200     3.300     0.800 peak   386 spectrum    1 weight  0.10000E+01 volume  0.18705E-03 ppm1      7.083 ppm2      4.218 CV     1
 ASSI {  392}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 10   and name HA  ))
      3.200     1.300     1.300 peak   392 spectrum    1 weight  0.10000E+01 volume  0.26092E-02 ppm1      4.120 ppm2      4.194 CV     1
 ASSI {  393}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 5    and name HA  ))
      3.100     1.200     1.200 peak   393 spectrum    1 weight  0.10000E+01 volume  0.11031E-02 ppm1      4.123 ppm2      4.227 CV     1
 ASSI {  395}
   (( segid "    " and resid 12   and name HA1 ))
   (( segid "    " and resid 11   and name HA  ))
      3.900     1.900     1.900 peak   395 spectrum    1 weight  0.10000E+01 volume  0.57371E-03 ppm1      4.044 ppm2      4.360 CV     1
 ASSI {  396}
   (( segid "    " and resid 12   and name HA1 ))
   (( segid "    " and resid 13   and name HA  ))
      5.800     4.300     0.200 peak   396 spectrum    1 weight  0.10000E+01 volume  0.17139E-03 ppm1      4.040 ppm2      4.555 CV     1
 ASSI {  397}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     4.600     0.000 peak   397 spectrum    1 weight  0.10000E+01 volume  0.84486E-04 ppm1      1.942 ppm2      4.630 CV     1
 ASSI {  398}
   (( segid "    " and resid 5    and name HB2 ))
   (( segid "    " and resid 4    and name HA  ))
      5.400     5.400     0.600 peak   398 spectrum    1 weight  0.10000E+01 volume  0.15571E-03 ppm1      1.822 ppm2      4.623 CV     1
 ASSI {  400}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 12   and name HA2 ))
      3.600     1.600     1.600 peak   400 spectrum    1 weight  0.10000E+01 volume  0.92342E-04 ppm1      3.173 ppm2      3.858 CV     1
 ASSI {  401}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 7    and name HA  ))
      2.400     0.700     0.700 peak   401 spectrum    1 weight  0.10000E+01 volume  0.51509E-02 ppm1      1.763 ppm2      3.983 CV     1
 ASSI {  402}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 2    and name HD1 ))
      4.100     2.100     1.900 peak   402 spectrum    1 weight  0.10000E+01 volume  0.35280E-03 ppm1      1.126 ppm2      3.149 CV     1
 ASSI {  403}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 13   and name HB2 ))
      6.000     6.000     0.000 peak   403 spectrum    1 weight  0.10000E+01 volume  0.99731E-04 ppm1      1.949 ppm2      3.159 CV     1
 ASSI {  404}
   (( segid "    " and resid 5    and name HG1 ))
   (( segid "    " and resid 13   and name HB1 ))
      5.900     4.400     0.100 peak   404 spectrum    1 weight  0.10000E+01 volume  0.23691E-03 ppm1      1.937 ppm2      2.982 CV     1
 ASSI {  406}
   (( segid "    " and resid 9    and name HD1 ))
   (( segid "    " and resid 1    and name HB1 ))
      2.900     2.900     3.100 peak   406 spectrum    1 weight  0.10000E+01 volume  0.35327E-03 ppm1      1.657 ppm2      3.059 CV     1
 ASSI {  407}
   (  segid "    " and resid 9    and name HZ% )
   (( segid "    " and resid 9    and name HE1 ))
      3.300     1.400     1.400 peak   407 spectrum    1 weight  0.10000E+01 volume  0.11143E-02 ppm1      7.469 ppm2      2.984 CV     1
 ASSI {  408}
   (( segid "    " and resid 2    and name HE  ))
   (( segid "    " and resid 2    and name HA  ))
      4.500     2.500     1.500 peak   408 spectrum    1 weight  0.10000E+01 volume  0.59264E-03 ppm1      7.111 ppm2      4.414 CV     1
 ASSI {  413}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 1    and name HB2 ))
      6.000     4.800     0.000 peak   413 spectrum    1 weight  0.10000E+01 volume  0.15810E-03 ppm1      8.127 ppm2      3.235 CV     1
 ASSI {  414}
   (( segid "    " and resid 13   and name HN  ))
   (( segid "    " and resid 9    and name HG1 ))
      3.300     3.300     2.700 peak   414 spectrum    1 weight  0.10000E+01 volume  0.15673E-03 ppm1      8.130 ppm2      1.466 CV     1
 ASSI {  415}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 6    and name HZ2 ))
      4.600     2.600     1.400 peak   415 spectrum    1 weight  0.10000E+01 volume  0.25505E-03 ppm1      7.792 ppm2      7.432 CV     1
 ASSI {  417}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      6.000     5.400     0.000 peak   417 spectrum    1 weight  0.10000E+01 volume  0.52023E-04 ppm1      7.788 ppm2      4.119 CV     1
 ASSI {  418}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 8    and name HB2 ))
      6.000     6.000     0.000 peak   418 spectrum    1 weight  0.10000E+01 volume  0.10986E-03 ppm1      7.794 ppm2      2.036 CV     1
 ASSI {  419}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 8    and name HB1 ))
      6.000     6.000     0.000 peak   419 spectrum    1 weight  0.10000E+01 volume  0.50166E-04 ppm1      7.793 ppm2      2.107 CV     1
 ASSI {  420}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 7    and name HG1 ))
      6.000     6.000     0.000 peak   420 spectrum    1 weight  0.10000E+01 volume  0.66045E-04 ppm1      7.789 ppm2      1.162 CV     1
 ASSI {  422}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 9    and name HG1 ))
      4.400     2.400     1.600 peak   422 spectrum    1 weight  0.10000E+01 volume  0.12193E-03 ppm1      7.689 ppm2      1.464 CV     1
 ASSI {  423}
   (( segid "    " and resid 7    and name HN  ))
   (( segid "    " and resid 9    and name HA  ))
      5.200     3.400     0.800 peak   423 spectrum    1 weight  0.10000E+01 volume  0.10956E-03 ppm1      7.685 ppm2      4.118 CV     1
 ASSI {  425}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 6    and name HZ2 ))
      3.100     3.100     2.900 peak   425 spectrum    1 weight  0.10000E+01 volume  0.24301E-02 ppm1      7.582 ppm2      7.430 CV     1
 ASSI {  427}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 8    and name HG2 ))
      6.000     5.000     0.000 peak   427 spectrum    1 weight  0.10000E+01 volume  0.50463E-04 ppm1      7.592 ppm2      2.533 CV     1
 ASSI {  428}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 8    and name HB1 ))
      6.000     5.400     0.000 peak   428 spectrum    1 weight  0.10000E+01 volume  0.11419E-03 ppm1      7.582 ppm2      2.110 CV     1
 ASSI {  429}
   (( segid "    " and resid 6    and name HE3 ))
   (( segid "    " and resid 8    and name HB2 ))
      6.000     6.000     0.000 peak   429 spectrum    1 weight  0.10000E+01 volume  0.16018E-03 ppm1      7.583 ppm2      2.038 CV     1
 ASSI {  430}
   (( segid "    " and resid 13   and name HN1 ))
   (( segid "    " and resid 5    and name HG1 ))
      3.300     3.300     2.700 peak   430 spectrum    1 weight  0.10000E+01 volume  0.14601E-03 ppm1      7.598 ppm2      1.949 CV     1
 ASSI {  431}
   (( segid "    " and resid 13   and name HN1 ))
   (  segid "    " and resid 11   and name HD2%)
      4.900     3.000     1.100 peak   431 spectrum    1 weight  0.10000E+01 volume  0.11832E-03 ppm1      7.590 ppm2      0.927 CV     1
 ASSI {  433}
   (( segid "    " and resid 4    and name HE3 ))
   (  segid "    " and resid 11   and name HD2%)
      6.000     5.000     0.000 peak   433 spectrum    1 weight  0.10000E+01 volume  0.49197E-04 ppm1      7.461 ppm2      0.892 CV     1
 ASSI {  434}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 4    and name HD1 ))
      2.800     1.000     1.000 peak   434 spectrum    1 weight  0.10000E+01 volume  0.68491E-03 ppm1      7.370 ppm2      7.168 CV     1
 ASSI {  435}
   (( segid "    " and resid 4    and name HZ2 ))
   (( segid "    " and resid 3    and name HE  ))
      4.100     2.200     1.900 peak   435 spectrum    1 weight  0.10000E+01 volume  0.34192E-03 ppm1      7.376 ppm2      6.989 CV     1
 ASSI {  437}
   (( segid "    " and resid 4    and name HD1 ))
   (( segid "    " and resid 13   and name HA  ))
      6.000     4.800     0.000 peak   437 spectrum    1 weight  0.10000E+01 volume  0.25867E-04 ppm1      7.175 ppm2      4.548 CV     1
 ASSI {  438}
   (( segid "    " and resid 3    and name HE  ))
   (( segid "    " and resid 4    and name HB1 ))
      5.400     3.600     0.600 peak   438 spectrum    1 weight  0.10000E+01 volume  0.82340E-04 ppm1      6.999 ppm2      3.356 CV     1
 ASSI {  440}
   (( segid "    " and resid 3    and name HE  ))
   (( segid "    " and resid 2    and name HD2 ))
      5.900     4.300     0.100 peak   440 spectrum    1 weight  0.10000E+01 volume  0.48778E-04 ppm1      6.986 ppm2      3.231 CV     1
 ASSI {  441}
   (( segid "    " and resid 3    and name HE  ))
   (( segid "    " and resid 13   and name HB1 ))
      6.000     6.000     0.000 peak   441 spectrum    1 weight  0.10000E+01 volume  0.17256E-03 ppm1      6.998 ppm2      2.978 CV     1
 ASSI {  443}
   (( segid "    " and resid 6    and name HH2 ))
   (( segid "    " and resid 8    and name HG2 ))
      6.000     5.100     0.000 peak   443 spectrum    1 weight  0.10000E+01 volume  0.30465E-04 ppm1      7.116 ppm2      2.535 CV     1
 ASSI {  444}
   (( segid "    " and resid 6    and name HZ3 ))
   (( segid "    " and resid 8    and name HG2 ))
      4.800     2.900     1.200 peak   444 spectrum    1 weight  0.10000E+01 volume  0.72520E-04 ppm1      7.057 ppm2      2.527 CV     1
 ASSI {  446}
   (( segid "    " and resid 1    and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
      6.000     4.700     0.000 peak   446 spectrum    1 weight  0.10000E+01 volume  0.18462E-03 ppm1      4.361 ppm2      4.458 CV     1
 ASSI {  447}
   (( segid "    " and resid 9    and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
      6.000     5.200     0.000 peak   447 spectrum    1 weight  0.10000E+01 volume  0.40082E-04 ppm1      4.122 ppm2      4.462 CV     1
 ASSI {  448}
   (( segid "    " and resid 3    and name HA  ))
   (( segid "    " and resid 4    and name HA  ))
      6.000     5.400     0.000 peak   448 spectrum    1 weight  0.10000E+01 volume  0.44897E-04 ppm1      3.958 ppm2      4.611 CV     1
 ASSI {  449}
   (( segid "    " and resid 11   and name HG  ))
   (( segid "    " and resid 13   and name HA  ))
      5.500     3.800     0.500 peak   449 spectrum    1 weight  0.10000E+01 volume  0.10966E-03 ppm1      1.656 ppm2      4.553 CV     1
 ASSI {  451}
   (( segid "    " and resid 7    and name HA  ))
   (( segid "    " and resid 6    and name HA  ))
      4.400     2.400     1.600 peak   451 spectrum    1 weight  0.10000E+01 volume  0.24642E-03 ppm1      3.996 ppm2      4.458 CV     1
 ASSI {  452}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      6.000     5.600     0.000 peak   452 spectrum    1 weight  0.10000E+01 volume  0.41785E-04 ppm1      3.227 ppm2      4.219 CV     1
 ASSI {  453}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 9    and name HA  ))
      4.100     4.100     1.900 peak   453 spectrum    1 weight  0.10000E+01 volume  0.42579E-04 ppm1      3.158 ppm2      4.118 CV     1
 ASSI {  454}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 5    and name HA  ))
      3.800     1.800     1.800 peak   454 spectrum    1 weight  0.10000E+01 volume  0.64077E-04 ppm1      3.158 ppm2      4.218 CV     1
 ASSI {  455}
   (( segid "    " and resid 13   and name HB2 ))
   (( segid "    " and resid 12   and name HA1 ))
      6.000     6.000     0.000 peak   455 spectrum    1 weight  0.10000E+01 volume  0.35235E-04 ppm1      3.162 ppm2      4.021 CV     1
 ASSI {  456}
   (( segid "    " and resid 13   and name HB1 ))
   (( segid "    " and resid 12   and name HA2 ))
      4.900     3.000     1.100 peak   456 spectrum    1 weight  0.10000E+01 volume  0.15901E-03 ppm1      2.983 ppm2      3.852 CV     1
 ASSI {  457}
   (( segid "    " and resid 1    and name HB1 ))
   (( segid "    " and resid 12   and name HA2 ))
      4.900     2.900     1.100 peak   457 spectrum    1 weight  0.10000E+01 volume  0.21900E-03 ppm1      3.057 ppm2      3.860 CV     1
 ASSI {  458}
   (( segid "    " and resid 1    and name HB2 ))
   (( segid "    " and resid 12   and name HA2 ))
      6.000     4.500     0.000 peak   458 spectrum    1 weight  0.10000E+01 volume  0.47197E-04 ppm1      3.240 ppm2      3.856 CV     1
 ASSI {  461}
   (( segid "    " and resid 7    and name HB1 ))
   (( segid "    " and resid 6    and name HB2 ))
      6.000     6.000     0.000 peak   461 spectrum    1 weight  0.10000E+01 volume  0.64627E-04 ppm1      1.758 ppm2      3.308 CV     1
 ASSI {  462}
   (( segid "    " and resid 3    and name HG1 ))
   (( segid "    " and resid 2    and name HD2 ))
      5.000     3.100     1.000 peak   462 spectrum    1 weight  0.10000E+01 volume  0.20321E-03 ppm1      1.523 ppm2      3.240 CV     1
 ASSI {  463}
   (( segid "    " and resid 10   and name HG2 ))
   (( segid "    " and resid 8    and name HB1 ))
      2.400     2.400     3.600 peak   463 spectrum    1 weight  0.10000E+01 volume  0.93503E-03 ppm1      1.459 ppm2      2.110 CV     1
 ASSI {  464}
   (( segid "    " and resid 2    and name HB1 ))
   (( segid "    " and resid 3    and name HG1 ))
      2.700     0.900     0.900 peak   464 spectrum    1 weight  0.10000E+01 volume  0.30249E-02 ppm1      1.132 ppm2      1.506 CV     1
 ASSI {  467}
   (( segid "    " and resid 11   and name HN  ))
   (( segid "    " and resid 5    and name HG1 ))
      3.100     1.200     1.200 peak   467 spectrum    1 weight  0.10000E+01 volume  0.66683E-03 ppm1      7.639 ppm2      1.943 CV     1
 ASSI {  468}
   (( segid "    " and resid 5    and name HN  ))
   (( segid "    " and resid 9    and name HG1 ))
      4.200     2.200     1.800 peak   468 spectrum    1 weight  0.10000E+01 volume  0.11256E-02 ppm1      7.369 ppm2      1.474 CV     1
 ASSI {  470}
   (( segid "    " and resid 6    and name HN  ))
   (( segid "    " and resid 13   and name HB2 ))
      5.800     4.200     0.200 peak   470 spectrum    1 weight  0.10000E+01 volume  0.11554E-03 ppm1      7.794 ppm2      3.165 CV     1

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1   1H    CYS   1          1HT       CYS   1   1.130   4.831   1.750
    2   2H    CYS   1          2HT       CYS   1   0.409   5.575   3.087
    3   3H    CYS   1          3HT       CYS   1  -0.363   4.277   2.324
    4    HA   CYS   1           HA       CYS   1   1.164   4.075   4.524
    5   1HB   CYS   1          2HB       CYS   1  -0.479   2.474   3.474
    6   2HB   CYS   1          1HB       CYS   1   0.819   1.931   2.420
    7    H    ARG   2           H        ARG   2   2.311   3.662   1.196
    8    HA   ARG   2           HA       ARG   2   4.998   4.239   1.959
    9   1HB   ARG   2          2HB       ARG   2   4.950   1.921   2.694
   10   2HB   ARG   2          1HB       ARG   2   4.378   1.410   1.111
   11   1HG   ARG   2          2HG       ARG   2   6.736   0.960   1.313
   12   2HG   ARG   2          1HG       ARG   2   6.464   2.228   0.116
   13   1HD   ARG   2          2HD       ARG   2   8.359   2.776   1.541
   14   2HD   ARG   2          1HD       ARG   2   7.041   3.926   1.763
   15    HE   ARG   2           HE       ARG   2   6.784   1.906   3.681
   16   1HH1  ARG   2          1HH1      ARG   2   8.926   4.528   2.858
   17   2HH1  ARG   2          2HH1      ARG   2   9.438   4.794   4.491
   18   1HH2  ARG   2          1HH2      ARG   2   7.452   2.249   5.835
   19   2HH2  ARG   2          2HH2      ARG   2   8.599   3.498   6.184
   20    H    ARG   3           H        ARG   3   3.351   2.360  -0.619
   21    HA   ARG   3           HA       ARG   3   3.648   4.384  -2.572
   22   1HB   ARG   3          2HB       ARG   3   5.412   3.298  -3.954
   23   2HB   ARG   3          1HB       ARG   3   6.013   3.926  -2.424
   24   1HG   ARG   3          2HG       ARG   3   5.898   1.664  -1.472
   25   2HG   ARG   3          1HG       ARG   3   5.359   1.051  -3.036
   26   1HD   ARG   3          2HD       ARG   3   7.447   1.777  -4.055
   27   2HD   ARG   3          1HD       ARG   3   7.982   2.444  -2.513
   28    HE   ARG   3           HE       ARG   3   7.370  -0.255  -2.127
   29   1HH1  ARG   3          1HH1      ARG   3   9.690   1.708  -3.835
   30   2HH1  ARG   3          2HH1      ARG   3  10.945   0.517  -3.759
   31   1HH2  ARG   3          1HH2      ARG   3   9.016  -1.826  -2.023
   32   2HH2  ARG   3          2HH2      ARG   3  10.561  -1.493  -2.729
   33    H    TRP   4           H        TRP   4   1.766   2.333  -1.620
   34    HA   TRP   4           HA       TRP   4   0.643   1.600  -4.073
   35   1HB   TRP   4          2HB       TRP   4   0.817  -0.960  -3.637
   36   2HB   TRP   4          1HB       TRP   4   2.110  -0.125  -4.480
   37    HD1  TRP   4           HD       TRP   4   2.736   0.792  -1.042
   38    HE1  TRP   4           1HE      TRP   4   4.426  -0.786   0.064
   39    HE3  TRP   4           3HE      TRP   4   2.560  -3.057  -4.388
   40    HZ2  TRP   4           2HZ      TRP   4   5.544  -3.337  -0.406
   41    HZ3  TRP   4           3HZ      TRP   4   3.972  -5.035  -3.991
   42    HH2  TRP   4           HH       TRP   4   5.431  -5.171  -2.036
   43    H    GLN   5           H        GLN   5   0.890   0.299  -0.767
   44    HA   GLN   5           HA       GLN   5  -1.973  -0.097  -0.725
   45   1HB   GLN   5          2HB       GLN   5   0.253  -0.762   1.166
   46   2HB   GLN   5          1HB       GLN   5  -1.422  -0.834   1.697
   47   1HG   GLN   5          2HG       GLN   5  -0.839  -3.018   1.037
   48   2HG   GLN   5          1HG       GLN   5  -1.852  -2.366  -0.240
   49   1HE2  GLN   5          1HE2      GLN   5  -1.227  -2.766  -2.184
   50   2HE2  GLN   5          2HE2      GLN   5   0.399  -3.051  -2.701
   51    H    TRP   6           H        TRP   6  -1.533   2.549  -1.076
   52    HA   TRP   6           HA       TRP   6  -1.593   3.898   1.485
   53   1HB   TRP   6          2HB       TRP   6  -2.501   5.668  -0.530
   54   2HB   TRP   6          1HB       TRP   6  -0.928   5.644   0.252
   55    HD1  TRP   6           HD       TRP   6   1.080   5.257  -1.290
   56    HE1  TRP   6           1HE      TRP   6   1.407   4.476  -3.719
   57    HE3  TRP   6           3HE      TRP   6  -3.738   3.921  -2.377
   58    HZ2  TRP   6           2HZ      TRP   6  -0.164   3.440  -5.820
   59    HZ3  TRP   6           3HZ      TRP   6  -4.240   3.052  -4.623
   60    HH2  TRP   6           HH       TRP   6  -2.489   2.816  -6.307
   61    H    ARG   7           H        ARG   7  -3.800   3.160  -1.138
   62    HA   ARG   7           HA       ARG   7  -6.096   3.801   0.588
   63   1HB   ARG   7          2HB       ARG   7  -5.995   3.478  -2.424
   64   2HB   ARG   7          1HB       ARG   7  -7.403   3.936  -1.483
   65   1HG   ARG   7          2HG       ARG   7  -4.880   5.565  -1.653
   66   2HG   ARG   7          1HG       ARG   7  -6.304   5.821  -2.661
   67   1HD   ARG   7          2HD       ARG   7  -6.467   7.379  -0.897
   68   2HD   ARG   7          1HD       ARG   7  -7.614   6.096  -0.518
   69    HE   ARG   7           HE       ARG   7  -5.161   5.533   0.728
   70   1HH1  ARG   7          1HH1      ARG   7  -7.804   7.795   0.917
   71   2HH1  ARG   7          2HH1      ARG   7  -7.604   8.085   2.613
   72   1HH2  ARG   7          1HH2      ARG   7  -4.892   5.905   2.962
   73   2HH2  ARG   7          2HH2      ARG   7  -5.949   7.010   3.775
   74    H    MET   8           H        MET   8  -4.734   1.522  -1.705
   75    HA   MET   8           HA       MET   8  -6.623  -0.567  -0.966
   76   1HB   MET   8          2HB       MET   8  -5.340  -1.867  -2.723
   77   2HB   MET   8          1HB       MET   8  -6.207  -0.453  -3.303
   78   1HG   MET   8          2HG       MET   8  -4.117   0.821  -3.279
   79   2HG   MET   8          1HG       MET   8  -3.258  -0.612  -2.718
   80   1HE   MET   8          1HE       MET   8  -2.836  -2.838  -4.386
   81   2HE   MET   8          2HE       MET   8  -3.896  -3.036  -5.782
   82   3HE   MET   8          3HE       MET   8  -4.585  -2.885  -4.165
   83    H    LYS   9           H        LYS   9  -5.566  -0.286   1.268
   84    HA   LYS   9           HA       LYS   9  -2.974  -1.335   1.729
   85   1HB   LYS   9          2HB       LYS   9  -5.229  -1.115   3.721
   86   2HB   LYS   9          1HB       LYS   9  -3.506  -1.177   4.067
   87   1HG   LYS   9          2HG       LYS   9  -3.252   0.990   2.871
   88   2HG   LYS   9          1HG       LYS   9  -5.006   1.056   2.720
   89   1HD   LYS   9          2HD       LYS   9  -4.277   2.378   4.614
   90   2HD   LYS   9          1HD       LYS   9  -5.203   0.984   5.170
   91   1HE   LYS   9          2HE       LYS   9  -3.127  -0.189   5.698
   92   2HE   LYS   9          1HE       LYS   9  -2.192   1.186   5.113
   93   1HZ   LYS   9          1HZ       LYS   9  -4.107   1.970   7.074
   94   2HZ   LYS   9          2HZ       LYS   9  -2.434   2.217   7.049
   95   3HZ   LYS   9          3HZ       LYS   9  -3.066   0.780   7.676
   96    H    LYS  10           H        LYS  10  -3.745  -3.281   0.212
   97    HA   LYS  10           HA       LYS  10  -5.033  -5.393   1.701
   98   1HB   LYS  10          2HB       LYS  10  -4.648  -6.745  -0.348
   99   2HB   LYS  10          1HB       LYS  10  -5.531  -5.257  -0.656
  100   1HG   LYS  10          2HG       LYS  10  -3.485  -4.211  -1.485
  101   2HG   LYS  10          1HG       LYS  10  -2.597  -5.703  -1.171
  102   1HD   LYS  10          2HD       LYS  10  -4.939  -5.435  -3.055
  103   2HD   LYS  10          1HD       LYS  10  -3.243  -5.465  -3.540
  104   1HE   LYS  10          2HE       LYS  10  -3.013  -7.711  -2.596
  105   2HE   LYS  10          1HE       LYS  10  -4.706  -7.678  -2.103
  106   1HZ   LYS  10          1HZ       LYS  10  -5.120  -7.238  -4.598
  107   2HZ   LYS  10          2HZ       LYS  10  -4.780  -8.814  -4.088
  108   3HZ   LYS  10          3HZ       LYS  10  -3.570  -7.881  -4.811
  109    H    LEU  11           H        LEU  11  -1.825  -4.767   0.315
  110    HA   LEU  11           HA       LEU  11  -0.704  -7.064   1.682
  111   1HB   LEU  11          2HB       LEU  11   0.005  -6.476  -0.615
  112   2HB   LEU  11          1HB       LEU  11   0.655  -4.966  -0.006
  113    HG   LEU  11           HG       LEU  11   2.271  -6.226   1.369
  114   1HD1  LEU  11          1HD1      LEU  11   2.562  -8.666   0.784
  115   2HD1  LEU  11          2HD1      LEU  11   0.951  -8.595   0.071
  116   3HD1  LEU  11          3HD1      LEU  11   1.169  -8.272   1.791
  117   1HD2  LEU  11          1HD2      LEU  11   2.354  -7.057  -1.526
  118   2HD2  LEU  11          2HD2      LEU  11   3.721  -6.876  -0.427
  119   3HD2  LEU  11          3HD2      LEU  11   2.804  -5.458  -0.934
  120    H    GLY  12           H        GLY  12  -1.278  -3.816   2.314
  121   1HA   GLY  12          2HA       GLY  12  -0.855  -2.577   4.217
  122   2HA   GLY  12          1HA       GLY  12   0.045  -3.943   4.857
  123    HA   CYS  13           HA       CYS  13   2.626  -1.698   0.874
  124   1HB   CYS  13          2HB       CYS  13   3.168   0.465   1.592
  125   2HB   CYS  13          1HB       CYS  13   1.476   0.270   2.020
  126   1HN   NH2  14          H         CYS  13   3.861  -3.715   1.339
  127   2HN   NH2  14          2HN       CYS  13   4.842  -3.851   2.758
  Start of MODEL    2
    1   1H    CYS   1          1HT       CYS   1  -0.239   5.035   3.144
    2   2H    CYS   1          2HT       CYS   1   0.448   4.318   1.775
    3   3H    CYS   1          3HT       CYS   1   1.222   5.623   2.525
    4    HA   CYS   1           HA       CYS   1   1.311   4.146   4.586
    5   1HB   CYS   1          2HB       CYS   1  -0.281   2.507   3.527
    6   2HB   CYS   1          1HB       CYS   1   1.010   2.055   2.420
    7    H    ARG   2           H        ARG   2   2.413   3.832   1.234
    8    HA   ARG   2           HA       ARG   2   5.087   4.530   1.945
    9   1HB   ARG   2          2HB       ARG   2   5.081   2.154   2.628
   10   2HB   ARG   2          1HB       ARG   2   4.629   1.702   0.990
   11   1HG   ARG   2          2HG       ARG   2   6.728   2.693   0.166
   12   2HG   ARG   2          1HG       ARG   2   7.184   3.050   1.831
   13   1HD   ARG   2          2HD       ARG   2   6.650   0.308   0.691
   14   2HD   ARG   2          1HD       ARG   2   8.238   0.992   1.036
   15    HE   ARG   2           HE       ARG   2   6.546  -0.299   2.876
   16   1HH1  ARG   2          1HH1      ARG   2   8.647   2.473   2.633
   17   2HH1  ARG   2          2HH1      ARG   2   9.012   2.505   4.326
   18   1HH2  ARG   2          1HH2      ARG   2   7.023  -0.262   5.105
   19   2HH2  ARG   2          2HH2      ARG   2   8.091   0.952   5.729
   20    H    ARG   3           H        ARG   3   3.497   2.574  -0.601
   21    HA   ARG   3           HA       ARG   3   3.517   4.622  -2.521
   22   1HB   ARG   3          2HB       ARG   3   5.317   3.634  -4.017
   23   2HB   ARG   3          1HB       ARG   3   5.860   4.530  -2.609
   24   1HG   ARG   3          2HG       ARG   3   7.245   2.643  -2.733
   25   2HG   ARG   3          1HG       ARG   3   6.098   2.303  -1.438
   26   1HD   ARG   3          2HD       ARG   3   4.770   0.939  -2.968
   27   2HD   ARG   3          1HD       ARG   3   5.900   1.294  -4.274
   28    HE   ARG   3           HE       ARG   3   6.184  -0.721  -2.333
   29   1HH1  ARG   3          1HH1      ARG   3   8.065   1.715  -3.977
   30   2HH1  ARG   3          2HH1      ARG   3   9.555   0.845  -3.827
   31   1HH2  ARG   3          1HH2      ARG   3   8.141  -1.867  -2.134
   32   2HH2  ARG   3          2HH2      ARG   3   9.598  -1.188  -2.781
   33    H    TRP   4           H        TRP   4   1.831   2.495  -1.562
   34    HA   TRP   4           HA       TRP   4   0.704   1.674  -3.981
   35   1HB   TRP   4          2HB       TRP   4   1.002  -0.865  -3.543
   36   2HB   TRP   4          1HB       TRP   4   2.259   0.023  -4.388
   37    HD1  TRP   4           HD       TRP   4   2.849   0.974  -0.960
   38    HE1  TRP   4           1HE      TRP   4   4.607  -0.527   0.148
   39    HE3  TRP   4           3HE      TRP   4   2.821  -2.892  -4.286
   40    HZ2  TRP   4           2HZ      TRP   4   5.827  -3.033  -0.313
   41    HZ3  TRP   4           3HZ      TRP   4   4.313  -4.810  -3.886
   42    HH2  TRP   4           HH       TRP   4   5.782  -4.879  -1.935
   43    H    GLN   5           H        GLN   5   1.054   0.431  -0.654
   44    HA   GLN   5           HA       GLN   5  -1.792  -0.086  -0.579
   45   1HB   GLN   5          2HB       GLN   5   0.473  -0.666   1.293
   46   2HB   GLN   5          1HB       GLN   5  -1.194  -0.800   1.837
   47   1HG   GLN   5          2HG       GLN   5  -0.530  -2.960   1.174
   48   2HG   GLN   5          1HG       GLN   5  -1.583  -2.348  -0.092
   49   1HE2  GLN   5          1HE2      GLN   5  -0.962  -2.719  -2.043
   50   2HE2  GLN   5          2HE2      GLN   5   0.668  -2.940  -2.577
   51    H    TRP   6           H        TRP   6  -1.446   2.578  -0.931
   52    HA   TRP   6           HA       TRP   6  -1.550   3.919   1.634
   53   1HB   TRP   6          2HB       TRP   6  -2.517   5.666  -0.364
   54   2HB   TRP   6          1HB       TRP   6  -0.933   5.678   0.395
   55    HD1  TRP   6           HD       TRP   6   1.059   5.347  -1.174
   56    HE1  TRP   6           1HE      TRP   6   1.373   4.589  -3.612
   57    HE3  TRP   6           3HE      TRP   6  -3.737   3.895  -2.202
   58    HZ2  TRP   6           2HZ      TRP   6  -0.201   3.525  -5.697
   59    HZ3  TRP   6           3HZ      TRP   6  -4.248   3.024  -4.445
   60    HH2  TRP   6           HH       TRP   6  -2.516   2.842  -6.155
   61    H    ARG   7           H        ARG   7  -3.729   3.072  -0.976
   62    HA   ARG   7           HA       ARG   7  -6.040   3.630   0.761
   63   1HB   ARG   7          2HB       ARG   7  -5.932   3.377  -2.257
   64   2HB   ARG   7          1HB       ARG   7  -7.364   3.737  -1.309
   65   1HG   ARG   7          2HG       ARG   7  -4.926   5.497  -1.425
   66   2HG   ARG   7          1HG       ARG   7  -6.359   5.707  -2.432
   67   1HD   ARG   7          2HD       ARG   7  -6.599   7.206  -0.620
   68   2HD   ARG   7          1HD       ARG   7  -7.688   5.862  -0.289
   69    HE   ARG   7           HE       ARG   7  -5.192   5.406   0.942
   70   1HH1  ARG   7          1HH1      ARG   7  -8.043   7.391   1.230
   71   2HH1  ARG   7          2HH1      ARG   7  -7.877   7.604   2.940
   72   1HH2  ARG   7          1HH2      ARG   7  -4.965   5.685   3.191
   73   2HH2  ARG   7          2HH2      ARG   7  -6.127   6.635   4.055
   74    H    MET   8           H        MET   8  -4.624   1.447  -1.594
   75    HA   MET   8           HA       MET   8  -6.426  -0.722  -0.887
   76   1HB   MET   8          2HB       MET   8  -5.084  -1.957  -2.640
   77   2HB   MET   8          1HB       MET   8  -5.976  -0.558  -3.220
   78   1HG   MET   8          2HG       MET   8  -3.907   0.765  -3.123
   79   2HG   MET   8          1HG       MET   8  -3.032  -0.673  -2.603
   80   1HE   MET   8          1HE       MET   8  -2.840  -2.833  -3.989
   81   2HE   MET   8          2HE       MET   8  -3.201  -2.983  -5.709
   82   3HE   MET   8          3HE       MET   8  -4.514  -2.951  -4.532
   83    H    LYS   9           H        LYS   9  -5.416  -0.393   1.357
   84    HA   LYS   9           HA       LYS   9  -2.793  -1.332   1.873
   85   1HB   LYS   9          2HB       LYS   9  -5.099  -1.217   3.816
   86   2HB   LYS   9          1HB       LYS   9  -3.384  -1.196   4.199
   87   1HG   LYS   9          2HG       LYS   9  -3.189   0.984   3.055
   88   2HG   LYS   9          1HG       LYS   9  -4.932   0.963   2.785
   89   1HD   LYS   9          2HD       LYS   9  -5.273   0.832   5.230
   90   2HD   LYS   9          1HD       LYS   9  -3.527   0.951   5.454
   91   1HE   LYS   9          2HE       LYS   9  -4.561   3.119   5.778
   92   2HE   LYS   9          1HE       LYS   9  -3.548   3.137   4.336
   93   1HZ   LYS   9          1HZ       LYS   9  -5.744   4.225   4.061
   94   2HZ   LYS   9          2HZ       LYS   9  -6.486   2.722   4.282
   95   3HZ   LYS   9          3HZ       LYS   9  -5.465   2.973   2.957
   96    H    LYS  10           H        LYS  10  -3.495  -3.299   0.330
   97    HA   LYS  10           HA       LYS  10  -4.697  -5.471   1.796
   98   1HB   LYS  10          2HB       LYS  10  -4.258  -6.782  -0.263
   99   2HB   LYS  10          1HB       LYS  10  -5.172  -5.313  -0.569
  100   1HG   LYS  10          2HG       LYS  10  -3.062  -4.213  -1.281
  101   2HG   LYS  10          1HG       LYS  10  -2.245  -5.766  -1.103
  102   1HD   LYS  10          2HD       LYS  10  -4.573  -5.203  -2.941
  103   2HD   LYS  10          1HD       LYS  10  -2.884  -5.329  -3.432
  104   1HE   LYS  10          2HE       LYS  10  -2.833  -7.651  -2.670
  105   2HE   LYS  10          1HE       LYS  10  -4.516  -7.524  -2.159
  106   1HZ   LYS  10          1HZ       LYS  10  -5.230  -7.837  -4.231
  107   2HZ   LYS  10          2HZ       LYS  10  -3.663  -8.360  -4.594
  108   3HZ   LYS  10          3HZ       LYS  10  -4.109  -6.755  -4.893
  109    H    LEU  11           H        LEU  11  -1.502  -4.667   0.487
  110    HA   LEU  11           HA       LEU  11  -0.307  -6.933   1.860
  111   1HB   LEU  11          2HB       LEU  11   0.383  -6.375  -0.445
  112   2HB   LEU  11          1HB       LEU  11   0.969  -4.823   0.123
  113    HG   LEU  11           HG       LEU  11   2.630  -5.986   1.537
  114   1HD1  LEU  11          1HD1      LEU  11   1.169  -8.348   0.530
  115   2HD1  LEU  11          2HD1      LEU  11   1.981  -8.086   2.073
  116   3HD1  LEU  11          3HD1      LEU  11   2.923  -8.486   0.637
  117   1HD2  LEU  11          1HD2      LEU  11   3.632  -5.328  -0.407
  118   2HD2  LEU  11          2HD2      LEU  11   2.548  -6.279  -1.419
  119   3HD2  LEU  11          3HD2      LEU  11   3.849  -7.072  -0.532
  120    H    GLY  12           H        GLY  12  -0.954  -3.675   2.405
  121   1HA   GLY  12          2HA       GLY  12  -0.554  -2.364   4.265
  122   2HA   GLY  12          1HA       GLY  12   0.337  -3.707   4.964
  123    HA   CYS  13           HA       CYS  13   3.035  -1.668   0.957
  124   1HB   CYS  13          2HB       CYS  13   3.491   0.548   1.524
  125   2HB   CYS  13          1HB       CYS  13   1.806   0.348   1.974
  126   1HN   NH2  14          H         CYS  13   3.801  -3.871   2.194
  127   2HN   NH2  14          2HN       CYS  13   5.186  -3.641   3.201
  Start of MODEL    3
    1   1H    CYS   1          1HT       CYS   1   0.978   5.464   2.020
    2   2H    CYS   1          2HT       CYS   1  -0.405   5.430   2.993
    3   3H    CYS   1          3HT       CYS   1  -0.166   4.233   1.823
    4    HA   CYS   1           HA       CYS   1   0.874   4.434   4.498
    5   1HB   CYS   1          2HB       CYS   1  -0.622   2.654   3.539
    6   2HB   CYS   1          1HB       CYS   1   0.728   2.132   2.541
    7    H    ARG   2           H        ARG   2   2.170   3.885   1.250
    8    HA   ARG   2           HA       ARG   2   4.791   4.655   2.085
    9   1HB   ARG   2          2HB       ARG   2   4.849   2.364   2.898
   10   2HB   ARG   2          1HB       ARG   2   4.342   1.767   1.324
   11   1HG   ARG   2          2HG       ARG   2   6.421   2.578   0.338
   12   2HG   ARG   2          1HG       ARG   2   6.929   3.193   1.911
   13   1HD   ARG   2          2HD       ARG   2   6.865   0.911   2.811
   14   2HD   ARG   2          1HD       ARG   2   6.376   0.306   1.229
   15    HE   ARG   2           HE       ARG   2   8.757   1.742   0.924
   16   1HH1  ARG   2          1HH1      ARG   2   7.610  -1.198   2.409
   17   2HH1  ARG   2          2HH1      ARG   2   9.129  -2.017   2.258
   18   1HH2  ARG   2          1HH2      ARG   2  10.757   0.671   0.724
   19   2HH2  ARG   2          2HH2      ARG   2  10.918  -0.954   1.304
   20    H    ARG   3           H        ARG   3   3.271   2.641  -0.475
   21    HA   ARG   3           HA       ARG   3   3.575   4.608  -2.483
   22   1HB   ARG   3          2HB       ARG   3   5.392   3.505  -3.789
   23   2HB   ARG   3          1HB       ARG   3   5.941   4.212  -2.274
   24   1HG   ARG   3          2HG       ARG   3   5.845   1.988  -1.229
   25   2HG   ARG   3          1HG       ARG   3   5.371   1.299  -2.782
   26   1HD   ARG   3          2HD       ARG   3   7.471   2.022  -3.769
   27   2HD   ARG   3          1HD       ARG   3   7.941   2.785  -2.250
   28    HE   ARG   3           HE       ARG   3   7.394   0.091  -1.741
   29   1HH1  ARG   3          1HH1      ARG   3   9.710   2.033  -3.479
   30   2HH1  ARG   3          2HH1      ARG   3  10.996   0.888  -3.299
   31   1HH2  ARG   3          1HH2      ARG   3   9.083  -1.419  -1.499
   32   2HH2  ARG   3          2HH2      ARG   3  10.641  -1.074  -2.175
   33    H    TRP   4           H        TRP   4   1.714   2.513  -1.519
   34    HA   TRP   4           HA       TRP   4   0.666   1.718  -3.986
   35   1HB   TRP   4          2HB       TRP   4   0.900  -0.827  -3.544
   36   2HB   TRP   4          1HB       TRP   4   2.207   0.038  -4.334
   37    HD1  TRP   4           HD       TRP   4   2.687   0.979  -0.892
   38    HE1  TRP   4           1HE      TRP   4   4.361  -0.560   0.292
   39    HE3  TRP   4           3HE      TRP   4   2.696  -2.902  -4.204
   40    HZ2  TRP   4           2HZ      TRP   4   5.538  -3.097  -0.114
   41    HZ3  TRP   4           3HZ      TRP   4   4.123  -4.853  -3.737
   42    HH2  TRP   4           HH       TRP   4   5.512  -4.948  -1.730
   43    H    GLN   5           H        GLN   5   0.867   0.488  -0.648
   44    HA   GLN   5           HA       GLN   5  -1.977  -0.014  -0.677
   45   1HB   GLN   5          2HB       GLN   5   0.219  -0.564   1.282
   46   2HB   GLN   5          1HB       GLN   5  -1.464  -0.666   1.781
   47   1HG   GLN   5          2HG       GLN   5  -0.850  -2.849   1.201
   48   2HG   GLN   5          1HG       GLN   5  -1.798  -2.248  -0.152
   49   1HE2  GLN   5          1HE2      GLN   5  -1.060  -2.743  -2.036
   50   2HE2  GLN   5          2HE2      GLN   5   0.597  -3.007  -2.453
   51    H    TRP   6           H        TRP   6  -1.748   2.591  -1.096
   52    HA   TRP   6           HA       TRP   6  -1.861   4.015   1.429
   53   1HB   TRP   6          2HB       TRP   6  -2.789   5.715  -0.623
   54   2HB   TRP   6          1HB       TRP   6  -1.202   5.724   0.134
   55    HD1  TRP   6           HD       TRP   6   0.792   5.288  -1.421
   56    HE1  TRP   6           1HE      TRP   6   1.087   4.461  -3.838
   57    HE3  TRP   6           3HE      TRP   6  -4.046   3.939  -2.431
   58    HZ2  TRP   6           2HZ      TRP   6  -0.508   3.389  -5.899
   59    HZ3  TRP   6           3HZ      TRP   6  -4.570   3.026  -4.652
   60    HH2  TRP   6           HH       TRP   6  -2.837   2.756  -6.349
   61    H    ARG   7           H        ARG   7  -3.997   3.060  -1.175
   62    HA   ARG   7           HA       ARG   7  -6.333   3.635   0.524
   63   1HB   ARG   7          2HB       ARG   7  -6.194   3.377  -2.493
   64   2HB   ARG   7          1HB       ARG   7  -7.641   3.720  -1.559
   65   1HG   ARG   7          2HG       ARG   7  -5.228   5.516  -1.614
   66   2HG   ARG   7          1HG       ARG   7  -6.610   5.692  -2.695
   67   1HD   ARG   7          2HD       ARG   7  -6.977   7.205  -0.924
   68   2HD   ARG   7          1HD       ARG   7  -8.049   5.840  -0.623
   69    HE   ARG   7           HE       ARG   7  -5.620   5.452   0.746
   70   1HH1  ARG   7          1HH1      ARG   7  -8.479   7.440   0.826
   71   2HH1  ARG   7          2HH1      ARG   7  -8.402   7.708   2.534
   72   1HH2  ARG   7          1HH2      ARG   7  -5.509   5.803   3.000
   73   2HH2  ARG   7          2HH2      ARG   7  -6.715   6.779   3.770
   74    H    MET   8           H        MET   8  -4.837   1.450  -1.770
   75    HA   MET   8           HA       MET   8  -6.650  -0.727  -1.109
   76   1HB   MET   8          2HB       MET   8  -5.290  -1.957  -2.832
   77   2HB   MET   8          1HB       MET   8  -6.122  -0.531  -3.432
   78   1HG   MET   8          2HG       MET   8  -4.018   0.738  -3.224
   79   2HG   MET   8          1HG       MET   8  -3.206  -0.743  -2.722
   80   1HE   MET   8          1HE       MET   8  -4.573  -2.949  -5.454
   81   2HE   MET   8          2HE       MET   8  -3.703  -2.863  -3.923
   82   3HE   MET   8          3HE       MET   8  -2.810  -2.927  -5.441
   83    H    LYS   9           H        LYS   9  -5.559  -0.216   1.149
   84    HA   LYS   9           HA       LYS   9  -2.996  -1.252   1.710
   85   1HB   LYS   9          2HB       LYS   9  -5.359  -0.801   3.537
   86   2HB   LYS   9          1HB       LYS   9  -3.718  -1.129   4.072
   87   1HG   LYS   9          2HG       LYS   9  -2.928   0.927   3.302
   88   2HG   LYS   9          1HG       LYS   9  -4.362   1.211   2.319
   89   1HD   LYS   9          2HD       LYS   9  -4.436   2.601   4.299
   90   2HD   LYS   9          1HD       LYS   9  -5.702   1.376   4.393
   91   1HE   LYS   9          2HE       LYS   9  -4.267   0.019   5.849
   92   2HE   LYS   9          1HE       LYS   9  -3.018   1.259   5.766
   93   1HZ   LYS   9          1HZ       LYS   9  -5.605   2.234   6.589
   94   2HZ   LYS   9          2HZ       LYS   9  -4.078   2.529   7.251
   95   3HZ   LYS   9          3HZ       LYS   9  -4.919   1.121   7.662
   96    H    LYS  10           H        LYS  10  -3.612  -3.288   0.310
   97    HA   LYS  10           HA       LYS  10  -4.944  -5.344   1.852
   98   1HB   LYS  10          2HB       LYS  10  -4.502  -6.784  -0.110
   99   2HB   LYS  10          1HB       LYS  10  -5.359  -5.309  -0.535
  100   1HG   LYS  10          2HG       LYS  10  -3.241  -4.320  -1.294
  101   2HG   LYS  10          1HG       LYS  10  -2.420  -5.837  -0.918
  102   1HD   LYS  10          2HD       LYS  10  -3.834  -7.007  -2.531
  103   2HD   LYS  10          1HD       LYS  10  -4.676  -5.498  -2.894
  104   1HE   LYS  10          2HE       LYS  10  -3.020  -5.932  -4.597
  105   2HE   LYS  10          1HE       LYS  10  -2.548  -4.524  -3.647
  106   1HZ   LYS  10          1HZ       LYS  10  -0.995  -5.876  -2.426
  107   2HZ   LYS  10          2HZ       LYS  10  -0.688  -6.034  -4.081
  108   3HZ   LYS  10          3HZ       LYS  10  -1.489  -7.269  -3.249
  109    H    LEU  11           H        LEU  11  -1.718  -4.627   0.601
  110    HA   LEU  11           HA       LEU  11  -0.569  -6.852   2.075
  111   1HB   LEU  11          2HB       LEU  11   0.173  -6.354  -0.231
  112   2HB   LEU  11          1HB       LEU  11   0.765  -4.797   0.316
  113    HG   LEU  11           HG       LEU  11   2.383  -5.944   1.788
  114   1HD1  LEU  11          1HD1      LEU  11   0.802  -8.251   1.018
  115   2HD1  LEU  11          2HD1      LEU  11   1.921  -8.044   2.365
  116   3HD1  LEU  11          3HD1      LEU  11   2.529  -8.506   0.775
  117   1HD2  LEU  11          1HD2      LEU  11   2.428  -6.641  -1.140
  118   2HD2  LEU  11          2HD2      LEU  11   3.799  -6.884  -0.057
  119   3HD2  LEU  11          3HD2      LEU  11   3.181  -5.258  -0.346
  120    H    GLY  12           H        GLY  12  -1.298  -3.622   2.579
  121   1HA   GLY  12          2HA       GLY  12  -0.926  -2.258   4.401
  122   2HA   GLY  12          1HA       GLY  12  -0.029  -3.577   5.142
  123    HA   CYS  13           HA       CYS  13   2.595  -1.415   1.127
  124   1HB   CYS  13          2HB       CYS  13   3.098   0.769   1.784
  125   2HB   CYS  13          1HB       CYS  13   1.410   0.570   2.217
  126   1HN   NH2  14          H         CYS  13   3.859  -3.403   1.655
  127   2HN   NH2  14          2HN       CYS  13   4.809  -3.497   3.098
  Start of MODEL    4
    1   1H    CYS   1          1HT       CYS   1  -0.293   4.403   2.454
    2   2H    CYS   1          2HT       CYS   1   1.128   5.293   2.235
    3   3H    CYS   1          3HT       CYS   1   0.116   5.626   3.549
    4    HA   CYS   1           HA       CYS   1   1.122   4.145   4.810
    5   1HB   CYS   1          2HB       CYS   1  -0.435   2.560   3.624
    6   2HB   CYS   1          1HB       CYS   1   0.882   2.184   2.519
    7    H    ARG   2           H        ARG   2   2.299   3.970   1.461
    8    HA   ARG   2           HA       ARG   2   4.937   4.707   2.247
    9   1HB   ARG   2          2HB       ARG   2   5.031   2.355   2.914
   10   2HB   ARG   2          1HB       ARG   2   4.524   1.864   1.304
   11   1HG   ARG   2          2HG       ARG   2   6.575   2.764   0.362
   12   2HG   ARG   2          1HG       ARG   2   7.080   3.315   1.961
   13   1HD   ARG   2          2HD       ARG   2   7.078   0.989   2.746
   14   2HD   ARG   2          1HD       ARG   2   6.600   0.453   1.136
   15    HE   ARG   2           HE       ARG   2   8.940   1.966   0.902
   16   1HH1  ARG   2          1HH1      ARG   2   7.872  -1.072   2.233
   17   2HH1  ARG   2          2HH1      ARG   2   9.411  -1.844   2.043
   18   1HH2  ARG   2          1HH2      ARG   2  10.970   0.957   0.647
   19   2HH2  ARG   2          2HH2      ARG   2  11.172  -0.689   1.142
   20    H    ARG   3           H        ARG   3   3.551   2.699  -0.386
   21    HA   ARG   3           HA       ARG   3   3.517   4.775  -2.279
   22   1HB   ARG   3          2HB       ARG   3   5.452   3.921  -3.699
   23   2HB   ARG   3          1HB       ARG   3   5.857   4.849  -2.265
   24   1HG   ARG   3          2HG       ARG   3   7.378   3.054  -2.350
   25   2HG   ARG   3          1HG       ARG   3   6.223   2.667  -1.076
   26   1HD   ARG   3          2HD       ARG   3   5.014   1.206  -2.632
   27   2HD   ARG   3          1HD       ARG   3   6.184   1.587  -3.893
   28    HE   ARG   3           HE       ARG   3   6.478  -0.359  -1.879
   29   1HH1  ARG   3          1HH1      ARG   3   8.302   2.110  -3.537
   30   2HH1  ARG   3          2HH1      ARG   3   9.826   1.323  -3.299
   31   1HH2  ARG   3          1HH2      ARG   3   8.483  -1.398  -1.563
   32   2HH2  ARG   3          2HH2      ARG   3   9.929  -0.668  -2.179
   33    H    TRP   4           H        TRP   4   1.905   2.559  -1.456
   34    HA   TRP   4           HA       TRP   4   0.979   1.687  -3.941
   35   1HB   TRP   4          2HB       TRP   4   1.392  -0.821  -3.539
   36   2HB   TRP   4          1HB       TRP   4   2.682   0.144  -4.235
   37    HD1  TRP   4           HD       TRP   4   3.078   1.136  -0.861
   38    HE1  TRP   4           1HE      TRP   4   4.713  -0.360   0.425
   39    HE3  TRP   4           3HE      TRP   4   3.110  -2.899  -3.984
   40    HZ2  TRP   4           2HZ      TRP   4   5.871  -2.925   0.167
   41    HZ3  TRP   4           3HZ      TRP   4   4.509  -4.839  -3.396
   42    HH2  TRP   4           HH       TRP   4   5.856  -4.851  -1.359
   43    H    GLN   5           H        GLN   5   1.198   0.638  -0.557
   44    HA   GLN   5           HA       GLN   5  -1.621  -0.079  -0.657
   45   1HB   GLN   5          2HB       GLN   5   0.606  -0.648   1.237
   46   2HB   GLN   5          1HB       GLN   5  -1.048  -0.716   1.831
   47   1HG   GLN   5          2HG       GLN   5  -0.503  -2.908   1.199
   48   2HG   GLN   5          1HG       GLN   5  -1.535  -2.278  -0.073
   49   1HE2  GLN   5          1HE2      GLN   5  -0.962  -2.793  -2.008
   50   2HE2  GLN   5          2HE2      GLN   5   0.654  -3.086  -2.550
   51    H    TRP   6           H        TRP   6  -1.322   2.608  -0.970
   52    HA   TRP   6           HA       TRP   6  -1.621   3.929   1.585
   53   1HB   TRP   6          2HB       TRP   6  -2.555   5.624  -0.492
   54   2HB   TRP   6          1HB       TRP   6  -1.037   5.730   0.388
   55    HD1  TRP   6           HD       TRP   6   1.088   5.502  -1.024
   56    HE1  TRP   6           1HE      TRP   6   1.627   4.741  -3.423
   57    HE3  TRP   6           3HE      TRP   6  -3.525   3.755  -2.382
   58    HZ2  TRP   6           2HZ      TRP   6   0.279   3.560  -5.601
   59    HZ3  TRP   6           3HZ      TRP   6  -3.814   2.829  -4.644
   60    HH2  TRP   6           HH       TRP   6  -1.951   2.733  -6.218
   61    H    ARG   7           H        ARG   7  -3.629   3.042  -1.152
   62    HA   ARG   7           HA       ARG   7  -6.057   3.515   0.442
   63   1HB   ARG   7          2HB       ARG   7  -5.729   3.188  -2.553
   64   2HB   ARG   7          1HB       ARG   7  -7.251   3.460  -1.722
   65   1HG   ARG   7          2HG       ARG   7  -4.947   5.392  -1.668
   66   2HG   ARG   7          1HG       ARG   7  -6.278   5.473  -2.822
   67   1HD   ARG   7          2HD       ARG   7  -6.821   6.983  -1.088
   68   2HD   ARG   7          1HD       ARG   7  -7.832   5.562  -0.831
   69    HE   ARG   7           HE       ARG   7  -5.431   5.366   0.660
   70   1HH1  ARG   7          1HH1      ARG   7  -8.509   7.000   0.604
   71   2HH1  ARG   7          2HH1      ARG   7  -8.554   7.247   2.318
   72   1HH2  ARG   7          1HH2      ARG   7  -5.483   5.687   2.915
   73   2HH2  ARG   7          2HH2      ARG   7  -6.834   6.501   3.631
   74    H    MET   8           H        MET   8  -4.432   1.310  -1.760
   75    HA   MET   8           HA       MET   8  -6.193  -0.903  -1.135
   76   1HB   MET   8          2HB       MET   8  -3.712  -0.667  -2.848
   77   2HB   MET   8          1HB       MET   8  -4.600  -2.166  -2.630
   78   1HG   MET   8          2HG       MET   8  -6.582  -1.128  -3.602
   79   2HG   MET   8          1HG       MET   8  -5.684   0.370  -3.833
   80   1HE   MET   8          1HE       MET   8  -4.345  -3.345  -4.370
   81   2HE   MET   8          2HE       MET   8  -4.838  -3.588  -6.047
   82   3HE   MET   8          3HE       MET   8  -6.057  -3.368  -4.791
   83    H    LYS   9           H        LYS   9  -5.401  -0.326   1.220
   84    HA   LYS   9           HA       LYS   9  -2.841  -1.227   2.029
   85   1HB   LYS   9          2HB       LYS   9  -5.321  -0.882   3.713
   86   2HB   LYS   9          1HB       LYS   9  -3.663  -0.946   4.295
   87   1HG   LYS   9          2HG       LYS   9  -3.175   1.119   3.034
   88   2HG   LYS   9          1HG       LYS   9  -4.870   1.195   2.557
   89   1HD   LYS   9          2HD       LYS   9  -3.871   1.221   5.403
   90   2HD   LYS   9          1HD       LYS   9  -4.341   2.651   4.482
   91   1HE   LYS   9          2HE       LYS   9  -6.605   1.730   4.235
   92   2HE   LYS   9          1HE       LYS   9  -6.127   0.325   5.187
   93   1HZ   LYS   9          1HZ       LYS   9  -7.109   2.747   6.119
   94   2HZ   LYS   9          2HZ       LYS   9  -5.487   2.683   6.593
   95   3HZ   LYS   9          3HZ       LYS   9  -6.546   1.441   7.035
   96    H    LYS  10           H        LYS  10  -3.640  -3.300   0.536
   97    HA   LYS  10           HA       LYS  10  -4.798  -5.350   2.197
   98   1HB   LYS  10          2HB       LYS  10  -4.461  -6.804   0.218
   99   2HB   LYS  10          1HB       LYS  10  -5.372  -5.347  -0.155
  100   1HG   LYS  10          2HG       LYS  10  -3.328  -4.323  -1.055
  101   2HG   LYS  10          1HG       LYS  10  -2.456  -5.821  -0.731
  102   1HD   LYS  10          2HD       LYS  10  -3.934  -7.022  -2.253
  103   2HD   LYS  10          1HD       LYS  10  -4.842  -5.538  -2.555
  104   1HE   LYS  10          2HE       LYS  10  -2.800  -4.500  -3.447
  105   2HE   LYS  10          1HE       LYS  10  -1.937  -6.017  -3.202
  106   1HZ   LYS  10          1HZ       LYS  10  -3.106  -7.053  -4.883
  107   2HZ   LYS  10          2HZ       LYS  10  -2.907  -5.495  -5.509
  108   3HZ   LYS  10          3HZ       LYS  10  -4.389  -5.951  -4.835
  109    H    LEU  11           H        LEU  11  -1.674  -4.674   0.670
  110    HA   LEU  11           HA       LEU  11  -0.397  -6.859   2.068
  111   1HB   LEU  11          2HB       LEU  11   0.214  -6.259  -0.263
  112   2HB   LEU  11          1HB       LEU  11   0.824  -4.724   0.325
  113    HG   LEU  11           HG       LEU  11   2.511  -5.932   1.674
  114   1HD1  LEU  11          1HD1      LEU  11   2.640  -8.434   0.534
  115   2HD1  LEU  11          2HD1      LEU  11   0.917  -8.213   0.835
  116   3HD1  LEU  11          3HD1      LEU  11   2.071  -8.061   2.161
  117   1HD2  LEU  11          1HD2      LEU  11   2.644  -6.821  -1.194
  118   2HD2  LEU  11          2HD2      LEU  11   3.974  -6.398  -0.116
  119   3HD2  LEU  11          3HD2      LEU  11   2.882  -5.144  -0.703
  120    H    GLY  12           H        GLY  12  -0.989  -3.548   2.515
  121   1HA   GLY  12          2HA       GLY  12  -0.610  -2.215   4.366
  122   2HA   GLY  12          1HA       GLY  12   0.264  -3.552   5.101
  123    HA   CYS  13           HA       CYS  13   3.011  -1.596   1.082
  124   1HB   CYS  13          2HB       CYS  13   3.488   0.632   1.642
  125   2HB   CYS  13          1HB       CYS  13   1.783   0.443   2.015
  126   1HN   NH2  14          H         CYS  13   3.818  -3.768   2.300
  127   2HN   NH2  14          2HN       CYS  13   5.112  -3.531   3.423
  Start of MODEL    5
    1   1H    CYS   1          1HT       CYS   1  -0.404   5.054   2.994
    2   2H    CYS   1          2HT       CYS   1   0.649   4.676   1.725
    3   3H    CYS   1          3HT       CYS   1   1.003   5.964   2.763
    4    HA   CYS   1           HA       CYS   1   1.255   4.442   4.617
    5   1HB   CYS   1          2HB       CYS   1  -0.364   2.793   3.595
    6   2HB   CYS   1          1HB       CYS   1   0.938   2.279   2.529
    7    H    ARG   2           H        ARG   2   2.339   3.926   1.271
    8    HA   ARG   2           HA       ARG   2   5.026   4.639   1.961
    9   1HB   ARG   2          2HB       ARG   2   4.970   2.286   2.724
   10   2HB   ARG   2          1HB       ARG   2   4.521   1.786   1.100
   11   1HG   ARG   2          2HG       ARG   2   6.636   2.577   0.234
   12   2HG   ARG   2          1HG       ARG   2   7.084   3.187   1.829
   13   1HD   ARG   2          2HD       ARG   2   6.960   0.885   2.709
   14   2HD   ARG   2          1HD       ARG   2   6.590   0.305   1.085
   15    HE   ARG   2           HE       ARG   2   8.967   1.760   0.955
   16   1HH1  ARG   2          1HH1      ARG   2   7.760  -1.179   2.386
   17   2HH1  ARG   2          2HH1      ARG   2   9.295  -1.978   2.351
   18   1HH2  ARG   2          1HH2      ARG   2  10.993   0.716   0.908
   19   2HH2  ARG   2          2HH2      ARG   2  11.133  -0.901   1.511
   20    H    ARG   3           H        ARG   3   3.437   2.611  -0.537
   21    HA   ARG   3           HA       ARG   3   3.462   4.599  -2.516
   22   1HB   ARG   3          2HB       ARG   3   5.278   3.582  -3.975
   23   2HB   ARG   3          1HB       ARG   3   5.804   4.524  -2.590
   24   1HG   ARG   3          2HG       ARG   3   7.200   2.625  -2.699
   25   2HG   ARG   3          1HG       ARG   3   6.099   2.369  -1.347
   26   1HD   ARG   3          2HD       ARG   3   4.716   0.920  -2.744
   27   2HD   ARG   3          1HD       ARG   3   5.794   1.197  -4.110
   28    HE   ARG   3           HE       ARG   3   6.158  -0.690  -2.047
   29   1HH1  ARG   3          1HH1      ARG   3   7.946   1.591  -3.987
   30   2HH1  ARG   3          2HH1      ARG   3   9.439   0.723  -3.859
   31   1HH2  ARG   3          1HH2      ARG   3   8.121  -1.836  -1.878
   32   2HH2  ARG   3          2HH2      ARG   3   9.539  -1.223  -2.663
   33    H    TRP   4           H        TRP   4   1.772   2.494  -1.521
   34    HA   TRP   4           HA       TRP   4   0.701   1.586  -3.943
   35   1HB   TRP   4          2HB       TRP   4   0.982  -0.932  -3.390
   36   2HB   TRP   4          1HB       TRP   4   2.268  -0.084  -4.232
   37    HD1  TRP   4           HD       TRP   4   2.760   1.015  -0.835
   38    HE1  TRP   4           1HE      TRP   4   4.469  -0.444   0.400
   39    HE3  TRP   4           3HE      TRP   4   2.811  -3.005  -3.979
   40    HZ2  TRP   4           2HZ      TRP   4   5.683  -2.979   0.096
   41    HZ3  TRP   4           3HZ      TRP   4   4.273  -4.912  -3.436
   42    HH2  TRP   4           HH       TRP   4   5.676  -4.897  -1.439
   43    H    GLN   5           H        GLN   5   0.970   0.510  -0.556
   44    HA   GLN   5           HA       GLN   5  -1.880  -0.010  -0.517
   45   1HB   GLN   5          2HB       GLN   5   0.355  -0.536   1.408
   46   2HB   GLN   5          1HB       GLN   5  -1.319  -0.629   1.939
   47   1HG   GLN   5          2HG       GLN   5  -0.708  -2.820   1.378
   48   2HG   GLN   5          1HG       GLN   5  -1.692  -2.245   0.043
   49   1HE2  GLN   5          1HE2      GLN   5  -0.990  -2.766  -1.858
   50   2HE2  GLN   5          2HE2      GLN   5   0.659  -3.028  -2.305
   51    H    TRP   6           H        TRP   6  -1.690   2.584  -0.976
   52    HA   TRP   6           HA       TRP   6  -1.753   4.046   1.538
   53   1HB   TRP   6          2HB       TRP   6  -2.717   5.705  -0.539
   54   2HB   TRP   6          1HB       TRP   6  -1.138   5.757   0.233
   55    HD1  TRP   6           HD       TRP   6   0.881   5.314  -1.286
   56    HE1  TRP   6           1HE      TRP   6   1.213   4.457  -3.689
   57    HE3  TRP   6           3HE      TRP   6  -3.927   3.913  -2.323
   58    HZ2  TRP   6           2HZ      TRP   6  -0.352   3.339  -5.752
   59    HZ3  TRP   6           3HZ      TRP   6  -4.424   2.962  -4.537
   60    HH2  TRP   6           HH       TRP   6  -2.673   2.681  -6.215
   61    H    ARG   7           H        ARG   7  -3.930   3.111  -1.051
   62    HA   ARG   7           HA       ARG   7  -6.240   3.686   0.684
   63   1HB   ARG   7          2HB       ARG   7  -6.137   3.457  -2.335
   64   2HB   ARG   7          1HB       ARG   7  -7.570   3.807  -1.384
   65   1HG   ARG   7          2HG       ARG   7  -5.139   5.576  -1.445
   66   2HG   ARG   7          1HG       ARG   7  -6.531   5.778  -2.508
   67   1HD   ARG   7          2HD       ARG   7  -6.864   7.275  -0.717
   68   2HD   ARG   7          1HD       ARG   7  -7.943   5.915  -0.414
   69    HE   ARG   7           HE       ARG   7  -5.499   5.490   0.915
   70   1HH1  ARG   7          1HH1      ARG   7  -8.333   7.510   1.055
   71   2HH1  ARG   7          2HH1      ARG   7  -8.227   7.764   2.766
   72   1HH2  ARG   7          1HH2      ARG   7  -5.346   5.821   3.167
   73   2HH2  ARG   7          2HH2      ARG   7  -6.526   6.805   3.967
   74    H    MET   8           H        MET   8  -4.851   1.502  -1.697
   75    HA   MET   8           HA       MET   8  -6.669  -0.652  -0.975
   76   1HB   MET   8          2HB       MET   8  -5.399  -1.890  -2.765
   77   2HB   MET   8          1HB       MET   8  -6.256  -0.459  -3.318
   78   1HG   MET   8          2HG       MET   8  -4.153   0.798  -3.258
   79   2HG   MET   8          1HG       MET   8  -3.309  -0.658  -2.736
   80   1HE   MET   8          1HE       MET   8  -4.260  -2.829  -3.899
   81   2HE   MET   8          2HE       MET   8  -2.943  -2.937  -5.068
   82   3HE   MET   8          3HE       MET   8  -4.617  -2.964  -5.621
   83    H    LYS   9           H        LYS   9  -5.518  -0.255   1.246
   84    HA   LYS   9           HA       LYS   9  -2.928  -1.277   1.680
   85   1HB   LYS   9          2HB       LYS   9  -5.175  -1.116   3.684
   86   2HB   LYS   9          1HB       LYS   9  -3.450  -1.153   4.025
   87   1HG   LYS   9          2HG       LYS   9  -3.198   1.022   2.910
   88   2HG   LYS   9          1HG       LYS   9  -4.937   1.059   2.625
   89   1HD   LYS   9          2HD       LYS   9  -3.607   0.942   5.331
   90   2HD   LYS   9          1HD       LYS   9  -4.291   2.387   4.586
   91   1HE   LYS   9          2HE       LYS   9  -5.803  -0.116   5.326
   92   2HE   LYS   9          1HE       LYS   9  -5.835   1.412   6.205
   93   1HZ   LYS   9          1HZ       LYS   9  -6.852   0.899   3.466
   94   2HZ   LYS   9          2HZ       LYS   9  -6.717   2.444   4.138
   95   3HZ   LYS   9          3HZ       LYS   9  -7.756   1.307   4.836
   96    H    LYS  10           H        LYS  10  -3.393  -3.263   0.252
   97    HA   LYS  10           HA       LYS  10  -4.774  -5.416   1.597
   98   1HB   LYS  10          2HB       LYS  10  -4.186  -6.759  -0.357
   99   2HB   LYS  10          1HB       LYS  10  -4.917  -5.236  -0.842
  100   1HG   LYS  10          2HG       LYS  10  -2.723  -4.330  -1.371
  101   2HG   LYS  10          1HG       LYS  10  -1.967  -5.837  -0.846
  102   1HD   LYS  10          2HD       LYS  10  -3.293  -7.027  -2.592
  103   2HD   LYS  10          1HD       LYS  10  -3.849  -5.455  -3.171
  104   1HE   LYS  10          2HE       LYS  10  -0.978  -6.355  -3.011
  105   2HE   LYS  10          1HE       LYS  10  -1.952  -6.304  -4.479
  106   1HZ   LYS  10          1HZ       LYS  10  -1.197  -4.244  -4.725
  107   2HZ   LYS  10          2HZ       LYS  10  -0.549  -4.195  -3.164
  108   3HZ   LYS  10          3HZ       LYS  10  -2.173  -3.795  -3.418
  109    H    LEU  11           H        LEU  11  -1.453  -4.609   0.675
  110    HA   LEU  11           HA       LEU  11  -0.434  -6.832   2.267
  111   1HB   LEU  11          2HB       LEU  11   0.455  -6.471  -0.007
  112   2HB   LEU  11          1HB       LEU  11   1.028  -4.888   0.483
  113    HG   LEU  11           HG       LEU  11   2.545  -5.962   2.115
  114   1HD1  LEU  11          1HD1      LEU  11   1.383  -7.995   2.592
  115   2HD1  LEU  11          2HD1      LEU  11   2.938  -8.412   1.872
  116   3HD1  LEU  11          3HD1      LEU  11   1.466  -8.499   0.905
  117   1HD2  LEU  11          1HD2      LEU  11   2.720  -6.639  -0.798
  118   2HD2  LEU  11          2HD2      LEU  11   3.989  -7.123   0.327
  119   3HD2  LEU  11          3HD2      LEU  11   3.601  -5.415   0.116
  120    H    GLY  12           H        GLY  12  -1.086  -3.551   2.551
  121   1HA   GLY  12          2HA       GLY  12  -0.811  -2.128   4.351
  122   2HA   GLY  12          1HA       GLY  12   0.047  -3.416   5.184
  123    HA   CYS  13           HA       CYS  13   2.930  -1.532   1.216
  124   1HB   CYS  13          2HB       CYS  13   3.334   0.697   1.705
  125   2HB   CYS  13          1HB       CYS  13   1.652   0.507   2.176
  126   1HN   NH2  14          H         CYS  13   3.644  -3.698   2.513
  127   2HN   NH2  14          2HN       CYS  13   4.988  -3.453   3.576
  Start of MODEL    6
    1   1H    CYS   1          1HT       CYS   1  -0.416   5.012   3.140
    2   2H    CYS   1          2HT       CYS   1   0.208   4.216   1.784
    3   3H    CYS   1          3HT       CYS   1   1.054   5.512   2.466
    4    HA   CYS   1           HA       CYS   1   1.059   4.067   4.589
    5   1HB   CYS   1          2HB       CYS   1  -0.498   2.428   3.485
    6   2HB   CYS   1          1HB       CYS   1   0.822   1.980   2.412
    7    H    ARG   2           H        ARG   2   2.263   3.768   1.271
    8    HA   ARG   2           HA       ARG   2   4.911   4.471   2.054
    9   1HB   ARG   2          2HB       ARG   2   4.945   2.124   2.762
   10   2HB   ARG   2          1HB       ARG   2   4.446   1.625   1.152
   11   1HG   ARG   2          2HG       ARG   2   6.532   2.540   0.236
   12   2HG   ARG   2          1HG       ARG   2   7.034   2.983   1.868
   13   1HD   ARG   2          2HD       ARG   2   6.944   0.631   2.534
   14   2HD   ARG   2          1HD       ARG   2   6.442   0.189   0.903
   15    HE   ARG   2           HE       ARG   2   8.640   0.190   0.340
   16   1HH1  ARG   2          1HH1      ARG   2   8.224   2.397   3.008
   17   2HH1  ARG   2          2HH1      ARG   2   9.906   2.797   3.103
   18   1HH2  ARG   2          1HH2      ARG   2  10.853   0.710   0.465
   19   2HH2  ARG   2          2HH2      ARG   2  11.399   1.840   1.660
   20    H    ARG   3           H        ARG   3   3.385   2.489  -0.514
   21    HA   ARG   3           HA       ARG   3   3.457   4.514  -2.457
   22   1HB   ARG   3          2HB       ARG   3   5.299   3.549  -3.893
   23   2HB   ARG   3          1HB       ARG   3   5.817   4.404  -2.449
   24   1HG   ARG   3          2HG       ARG   3   7.180   2.513  -2.550
   25   2HG   ARG   3          1HG       ARG   3   5.964   2.125  -1.334
   26   1HD   ARG   3          2HD       ARG   3   4.706   0.854  -3.016
   27   2HD   ARG   3          1HD       ARG   3   5.940   1.232  -4.215
   28    HE   ARG   3           HE       ARG   3   6.031  -0.857  -2.335
   29   1HH1  ARG   3          1HH1      ARG   3   8.084   1.577  -3.756
   30   2HH1  ARG   3          2HH1      ARG   3   9.538   0.666  -3.523
   31   1HH2  ARG   3          1HH2      ARG   3   7.938  -2.060  -2.029
   32   2HH2  ARG   3          2HH2      ARG   3   9.455  -1.402  -2.542
   33    H    TRP   4           H        TRP   4   1.793   2.325  -1.488
   34    HA   TRP   4           HA       TRP   4   0.704   1.500  -3.931
   35   1HB   TRP   4          2HB       TRP   4   1.038  -1.029  -3.504
   36   2HB   TRP   4          1HB       TRP   4   2.306  -0.120  -4.309
   37    HD1  TRP   4           HD       TRP   4   2.831   0.847  -0.892
   38    HE1  TRP   4           1HE      TRP   4   4.556  -0.648   0.274
   39    HE3  TRP   4           3HE      TRP   4   2.843  -3.068  -4.162
   40    HZ2  TRP   4           2HZ      TRP   4   5.770  -3.171  -0.128
   41    HZ3  TRP   4           3HZ      TRP   4   4.315  -4.988  -3.704
   42    HH2  TRP   4           HH       TRP   4   5.745  -5.039  -1.725
   43    H    GLN   5           H        GLN   5   1.028   0.400  -0.560
   44    HA   GLN   5           HA       GLN   5  -1.800  -0.250  -0.541
   45   1HB   GLN   5          2HB       GLN   5   0.458  -0.740   1.358
   46   2HB   GLN   5          1HB       GLN   5  -1.204  -0.888   1.909
   47   1HG   GLN   5          2HG       GLN   5  -0.522  -3.052   1.296
   48   2HG   GLN   5          1HG       GLN   5  -1.570  -2.483   0.008
   49   1HE2  GLN   5          1HE2      GLN   5  -0.928  -2.853  -1.946
   50   2HE2  GLN   5          2HE2      GLN   5   0.709  -3.099  -2.449
   51    H    TRP   6           H        TRP   6  -1.302   2.505  -0.861
   52    HA   TRP   6           HA       TRP   6  -1.653   3.788   1.701
   53   1HB   TRP   6          2HB       TRP   6  -2.506   5.555  -0.337
   54   2HB   TRP   6          1HB       TRP   6  -0.987   5.588   0.547
   55    HD1  TRP   6           HD       TRP   6   1.118   5.378  -0.881
   56    HE1  TRP   6           1HE      TRP   6   1.645   4.658  -3.294
   57    HE3  TRP   6           3HE      TRP   6  -3.519   3.720  -2.269
   58    HZ2  TRP   6           2HZ      TRP   6   0.279   3.541  -5.497
   59    HZ3  TRP   6           3HZ      TRP   6  -3.822   2.847  -4.550
   60    HH2  TRP   6           HH       TRP   6  -1.963   2.758  -6.128
   61    H    ARG   7           H        ARG   7  -3.600   2.923  -1.065
   62    HA   ARG   7           HA       ARG   7  -6.062   3.429   0.465
   63   1HB   ARG   7          2HB       ARG   7  -5.683   3.133  -2.528
   64   2HB   ARG   7          1HB       ARG   7  -7.204   3.460  -1.715
   65   1HG   ARG   7          2HG       ARG   7  -4.817   5.293  -1.673
   66   2HG   ARG   7          1HG       ARG   7  -6.190   5.451  -2.768
   67   1HD   ARG   7          2HD       ARG   7  -6.595   6.957  -0.995
   68   2HD   ARG   7          1HD       ARG   7  -7.653   5.577  -0.711
   69    HE   ARG   7           HE       ARG   7  -5.229   5.211   0.674
   70   1HH1  ARG   7          1HH1      ARG   7  -8.126   7.141   0.752
   71   2HH1  ARG   7          2HH1      ARG   7  -8.059   7.406   2.462
   72   1HH2  ARG   7          1HH2      ARG   7  -5.130   5.555   2.926
   73   2HH2  ARG   7          2HH2      ARG   7  -6.355   6.504   3.698
   74    H    MET   8           H        MET   8  -4.371   1.254  -1.704
   75    HA   MET   8           HA       MET   8  -6.170  -0.964  -1.215
   76   1HB   MET   8          2HB       MET   8  -3.566  -0.776  -2.750
   77   2HB   MET   8          1HB       MET   8  -4.594  -2.198  -2.693
   78   1HG   MET   8          2HG       MET   8  -6.376  -0.985  -3.791
   79   2HG   MET   8          1HG       MET   8  -5.398   0.481  -3.798
   80   1HE   MET   8          1HE       MET   8  -3.083   0.690  -5.621
   81   2HE   MET   8          2HE       MET   8  -2.337  -0.878  -5.937
   82   3HE   MET   8          3HE       MET   8  -2.688  -0.385  -4.280
   83    H    LYS   9           H        LYS   9  -5.497  -0.454   1.189
   84    HA   LYS   9           HA       LYS   9  -2.970  -1.346   2.100
   85   1HB   LYS   9          2HB       LYS   9  -5.522  -1.110   3.690
   86   2HB   LYS   9          1HB       LYS   9  -3.881  -1.110   4.322
   87   1HG   LYS   9          2HG       LYS   9  -3.446   0.999   3.121
   88   2HG   LYS   9          1HG       LYS   9  -5.123   1.006   2.576
   89   1HD   LYS   9          2HD       LYS   9  -4.207   1.059   5.448
   90   2HD   LYS   9          1HD       LYS   9  -4.788   2.450   4.533
   91   1HE   LYS   9          2HE       LYS   9  -6.959   1.346   4.247
   92   2HE   LYS   9          1HE       LYS   9  -6.374  -0.036   5.172
   93   1HZ   LYS   9          1HZ       LYS   9  -5.894   1.819   6.936
   94   2HZ   LYS   9          2HZ       LYS   9  -7.435   1.136   6.793
   95   3HZ   LYS   9          3HZ       LYS   9  -7.111   2.643   6.098
   96    H    LYS  10           H        LYS  10  -3.682  -3.396   0.516
   97    HA   LYS  10           HA       LYS  10  -4.864  -5.502   2.092
   98   1HB   LYS  10          2HB       LYS  10  -4.428  -6.908   0.096
   99   2HB   LYS  10          1HB       LYS  10  -5.367  -5.467  -0.271
  100   1HG   LYS  10          2HG       LYS  10  -3.357  -4.371  -1.116
  101   2HG   LYS  10          1HG       LYS  10  -2.416  -5.817  -0.750
  102   1HD   LYS  10          2HD       LYS  10  -3.861  -7.099  -2.296
  103   2HD   LYS  10          1HD       LYS  10  -4.695  -5.599  -2.712
  104   1HE   LYS  10          2HE       LYS  10  -1.756  -6.135  -3.079
  105   2HE   LYS  10          1HE       LYS  10  -2.969  -6.184  -4.359
  106   1HZ   LYS  10          1HZ       LYS  10  -1.994  -4.079  -4.509
  107   2HZ   LYS  10          2HZ       LYS  10  -2.001  -3.839  -2.835
  108   3HZ   LYS  10          3HZ       LYS  10  -3.453  -3.796  -3.700
  109    H    LEU  11           H        LEU  11  -1.700  -4.733   0.693
  110    HA   LEU  11           HA       LEU  11  -0.445  -6.923   2.120
  111   1HB   LEU  11          2HB       LEU  11   0.227  -6.408  -0.192
  112   2HB   LEU  11          1HB       LEU  11   0.765  -4.822   0.329
  113    HG   LEU  11           HG       LEU  11   2.472  -5.891   1.764
  114   1HD1  LEU  11          1HD1      LEU  11   1.310  -8.403   0.597
  115   2HD1  LEU  11          2HD1      LEU  11   1.562  -7.991   2.293
  116   3HD1  LEU  11          3HD1      LEU  11   2.945  -8.333   1.255
  117   1HD2  LEU  11          1HD2      LEU  11   3.236  -7.187  -0.679
  118   2HD2  LEU  11          2HD2      LEU  11   3.852  -5.697   0.038
  119   3HD2  LEU  11          3HD2      LEU  11   2.450  -5.648  -1.029
  120    H    GLY  12           H        GLY  12  -1.115  -3.645   2.575
  121   1HA   GLY  12          2HA       GLY  12  -0.726  -2.271   4.383
  122   2HA   GLY  12          1HA       GLY  12   0.120  -3.605   5.156
  123    HA   CYS  13           HA       CYS  13   2.987  -1.795   1.161
  124   1HB   CYS  13          2HB       CYS  13   3.474   0.442   1.663
  125   2HB   CYS  13          1HB       CYS  13   1.758   0.281   1.999
  126   1HN   NH2  14          H         CYS  13   3.823  -3.912   2.340
  127   2HN   NH2  14          2HN       CYS  13   5.051  -3.680   3.535
  Start of MODEL    7
    1   1H    CYS   1          1HT       CYS   1   0.030   5.835   2.843
    2   2H    CYS   1          2HT       CYS   1  -0.701   4.440   2.226
    3   3H    CYS   1          3HT       CYS   1   0.770   4.977   1.587
    4    HA   CYS   1           HA       CYS   1   0.813   4.506   4.431
    5   1HB   CYS   1          2HB       CYS   1  -0.731   2.733   3.553
    6   2HB   CYS   1          1HB       CYS   1   0.576   2.173   2.518
    7    H    ARG   2           H        ARG   2   2.033   3.864   1.166
    8    HA   ARG   2           HA       ARG   2   4.682   4.610   1.943
    9   1HB   ARG   2          2HB       ARG   2   4.710   2.326   2.786
   10   2HB   ARG   2          1HB       ARG   2   4.171   1.721   1.225
   11   1HG   ARG   2          2HG       ARG   2   6.246   2.443   0.198
   12   2HG   ARG   2          1HG       ARG   2   6.784   3.130   1.732
   13   1HD   ARG   2          2HD       ARG   2   6.737   0.906   2.744
   14   2HD   ARG   2          1HD       ARG   2   6.183   0.218   1.219
   15    HE   ARG   2           HE       ARG   2   8.565   1.587   0.732
   16   1HH1  ARG   2          1HH1      ARG   2   7.445  -1.201   2.495
   17   2HH1  ARG   2          2HH1      ARG   2   8.946  -2.055   2.353
   18   1HH2  ARG   2          1HH2      ARG   2  10.546   0.471   0.540
   19   2HH2  ARG   2          2HH2      ARG   2  10.709  -1.104   1.243
   20    H    ARG   3           H        ARG   3   3.137   2.553  -0.562
   21    HA   ARG   3           HA       ARG   3   3.369   4.490  -2.601
   22   1HB   ARG   3          2HB       ARG   3   5.189   3.407  -3.928
   23   2HB   ARG   3          1HB       ARG   3   5.745   4.170  -2.444
   24   1HG   ARG   3          2HG       ARG   3   5.698   1.938  -1.350
   25   2HG   ARG   3          1HG       ARG   3   5.316   1.231  -2.922
   26   1HD   ARG   3          2HD       ARG   3   7.402   2.072  -3.834
   27   2HD   ARG   3          1HD       ARG   3   7.774   2.867  -2.304
   28    HE   ARG   3           HE       ARG   3   7.369   0.121  -1.846
   29   1HH1  ARG   3          1HH1      ARG   3   9.651   2.293  -3.342
   30   2HH1  ARG   3          2HH1      ARG   3  11.009   1.246  -3.092
   31   1HH2  ARG   3          1HH2      ARG   3   9.154  -1.261  -1.512
   32   2HH2  ARG   3          2HH2      ARG   3  10.725  -0.775  -2.054
   33    H    TRP   4           H        TRP   4   1.556   2.422  -1.585
   34    HA   TRP   4           HA       TRP   4   0.492   1.538  -4.012
   35   1HB   TRP   4          2HB       TRP   4   0.752  -0.988  -3.492
   36   2HB   TRP   4          1HB       TRP   4   2.048  -0.139  -4.315
   37    HD1  TRP   4           HD       TRP   4   2.553   0.927  -0.917
   38    HE1  TRP   4           1HE      TRP   4   4.233  -0.565   0.316
   39    HE3  TRP   4           3HE      TRP   4   2.548  -3.081  -4.079
   40    HZ2  TRP   4           2HZ      TRP   4   5.407  -3.116   0.004
   41    HZ3  TRP   4           3HZ      TRP   4   3.978  -5.013  -3.541
   42    HH2  TRP   4           HH       TRP   4   5.376  -5.028  -1.538
   43    H    GLN   5           H        GLN   5   0.733   0.367  -0.652
   44    HA   GLN   5           HA       GLN   5  -2.112  -0.114  -0.630
   45   1HB   GLN   5          2HB       GLN   5   0.113  -0.646   1.300
   46   2HB   GLN   5          1HB       GLN   5  -1.561  -0.722   1.834
   47   1HG   GLN   5          2HG       GLN   5  -0.982  -2.921   1.286
   48   2HG   GLN   5          1HG       GLN   5  -1.945  -2.339  -0.061
   49   1HE2  GLN   5          1HE2      GLN   5  -1.250  -2.930  -1.935
   50   2HE2  GLN   5          2HE2      GLN   5   0.399  -3.206  -2.378
   51    H    TRP   6           H        TRP   6  -1.926   2.483  -1.085
   52    HA   TRP   6           HA       TRP   6  -2.010   3.904   1.453
   53   1HB   TRP   6          2HB       TRP   6  -2.908   5.624  -0.602
   54   2HB   TRP   6          1HB       TRP   6  -1.343   5.635   0.197
   55    HD1  TRP   6           HD       TRP   6   0.686   5.261  -1.312
   56    HE1  TRP   6           1HE      TRP   6   1.061   4.458  -3.725
   57    HE3  TRP   6           3HE      TRP   6  -4.095   3.828  -2.457
   58    HZ2  TRP   6           2HZ      TRP   6  -0.458   3.371  -5.835
   59    HZ3  TRP   6           3HZ      TRP   6  -4.544   2.925  -4.697
   60    HH2  TRP   6           HH       TRP   6  -2.764   2.701  -6.351
   61    H    ARG   7           H        ARG   7  -4.142   3.059  -1.207
   62    HA   ARG   7           HA       ARG   7  -6.479   3.654   0.483
   63   1HB   ARG   7          2HB       ARG   7  -6.363   3.317  -2.526
   64   2HB   ARG   7          1HB       ARG   7  -7.774   3.774  -1.586
   65   1HG   ARG   7          2HG       ARG   7  -5.264   5.423  -1.767
   66   2HG   ARG   7          1HG       ARG   7  -6.679   5.650  -2.794
   67   1HD   ARG   7          2HD       ARG   7  -6.873   7.233  -1.055
   68   2HD   ARG   7          1HD       ARG   7  -8.014   5.947  -0.670
   69    HE   ARG   7           HE       ARG   7  -5.578   5.412   0.612
   70   1HH1  ARG   7          1HH1      ARG   7  -8.221   7.680   0.737
   71   2HH1  ARG   7          2HH1      ARG   7  -8.030   8.004   2.428
   72   1HH2  ARG   7          1HH2      ARG   7  -5.319   5.837   2.836
   73   2HH2  ARG   7          2HH2      ARG   7  -6.381   6.958   3.620
   74    H    MET   8           H        MET   8  -4.977   1.396  -1.736
   75    HA   MET   8           HA       MET   8  -6.848  -0.729  -1.040
   76   1HB   MET   8          2HB       MET   8  -5.593  -2.010  -2.782
   77   2HB   MET   8          1HB       MET   8  -6.350  -0.544  -3.382
   78   1HG   MET   8          2HG       MET   8  -4.201   0.605  -3.285
   79   2HG   MET   8          1HG       MET   8  -3.443  -0.862  -2.667
   80   1HE   MET   8          1HE       MET   8  -1.891  -0.008  -4.371
   81   2HE   MET   8          2HE       MET   8  -2.384   0.445  -6.001
   82   3HE   MET   8          3HE       MET   8  -1.678  -1.143  -5.704
   83    H    LYS   9           H        LYS   9  -5.675  -0.213   1.190
   84    HA   LYS   9           HA       LYS   9  -3.134  -1.286   1.713
   85   1HB   LYS   9          2HB       LYS   9  -5.489  -0.830   3.545
   86   2HB   LYS   9          1HB       LYS   9  -3.872  -1.245   4.092
   87   1HG   LYS   9          2HG       LYS   9  -2.978   0.794   3.343
   88   2HG   LYS   9          1HG       LYS   9  -4.430   1.179   2.420
   89   1HD   LYS   9          2HD       LYS   9  -4.322   2.482   4.487
   90   2HD   LYS   9          1HD       LYS   9  -5.697   1.377   4.510
   91   1HE   LYS   9          2HE       LYS   9  -4.522   1.411   6.659
   92   2HE   LYS   9          1HE       LYS   9  -4.450  -0.179   5.901
   93   1HZ   LYS   9          1HZ       LYS   9  -2.218   1.082   4.988
   94   2HZ   LYS   9          2HZ       LYS   9  -2.270  -0.049   6.245
   95   3HZ   LYS   9          3HZ       LYS   9  -2.320   1.606   6.593
   96    H    LYS  10           H        LYS  10  -3.580  -3.298   0.352
   97    HA   LYS  10           HA       LYS  10  -5.001  -5.399   1.754
   98   1HB   LYS  10          2HB       LYS  10  -4.403  -6.796  -0.196
   99   2HB   LYS  10          1HB       LYS  10  -5.248  -5.322  -0.652
  100   1HG   LYS  10          2HG       LYS  10  -3.122  -4.297  -1.281
  101   2HG   LYS  10          1HG       LYS  10  -2.276  -5.775  -0.823
  102   1HD   LYS  10          2HD       LYS  10  -3.458  -7.017  -2.534
  103   2HD   LYS  10          1HD       LYS  10  -4.406  -5.587  -2.951
  104   1HE   LYS  10          2HE       LYS  10  -2.608  -5.888  -4.546
  105   2HE   LYS  10          1HE       LYS  10  -2.345  -4.427  -3.594
  106   1HZ   LYS  10          1HZ       LYS  10  -1.117  -6.689  -2.381
  107   2HZ   LYS  10          2HZ       LYS  10  -0.426  -5.218  -2.851
  108   3HZ   LYS  10          3HZ       LYS  10  -0.564  -6.481  -3.967
  109    H    LEU  11           H        LEU  11  -1.697  -4.642   0.737
  110    HA   LEU  11           HA       LEU  11  -0.658  -6.850   2.338
  111   1HB   LEU  11          2HB       LEU  11   0.196  -6.533   0.050
  112   2HB   LEU  11          1HB       LEU  11   0.771  -4.937   0.493
  113    HG   LEU  11           HG       LEU  11   2.324  -5.960   2.116
  114   1HD1  LEU  11          1HD1      LEU  11   0.931  -8.427   1.233
  115   2HD1  LEU  11          2HD1      LEU  11   1.533  -7.972   2.826
  116   3HD1  LEU  11          3HD1      LEU  11   2.657  -8.527   1.586
  117   1HD2  LEU  11          1HD2      LEU  11   2.871  -5.514  -0.337
  118   2HD2  LEU  11          2HD2      LEU  11   2.718  -7.256  -0.565
  119   3HD2  LEU  11          3HD2      LEU  11   3.934  -6.614   0.540
  120    H    GLY  12           H        GLY  12  -1.382  -3.616   2.694
  121   1HA   GLY  12          2HA       GLY  12  -1.037  -2.189   4.476
  122   2HA   GLY  12          1HA       GLY  12  -0.108  -3.462   5.256
  123    HA   CYS  13           HA       CYS  13   2.438  -1.422   1.131
  124   1HB   CYS  13          2HB       CYS  13   2.931   0.781   1.726
  125   2HB   CYS  13          1HB       CYS  13   1.257   0.574   2.210
  126   1HN   NH2  14          H         CYS  13   3.811  -3.324   1.595
  127   2HN   NH2  14          2HN       CYS  13   4.677  -3.464   3.085
  Start of MODEL    8
    1   1H    CYS   1          1HT       CYS   1   1.299   5.010   2.015
    2   2H    CYS   1          2HT       CYS   1   0.418   5.619   3.324
    3   3H    CYS   1          3HT       CYS   1  -0.177   4.302   2.443
    4    HA   CYS   1           HA       CYS   1   1.337   4.210   4.730
    5   1HB   CYS   1          2HB       CYS   1  -0.366   2.610   3.790
    6   2HB   CYS   1          1HB       CYS   1   0.883   2.011   2.706
    7    H    ARG   2           H        ARG   2   2.382   3.707   1.381
    8    HA   ARG   2           HA       ARG   2   5.110   4.204   2.099
    9   1HB   ARG   2          2HB       ARG   2   4.961   1.855   2.767
   10   2HB   ARG   2          1HB       ARG   2   4.371   1.426   1.169
   11   1HG   ARG   2          2HG       ARG   2   6.507   2.182   0.204
   12   2HG   ARG   2          1HG       ARG   2   7.094   2.527   1.832
   13   1HD   ARG   2          2HD       ARG   2   6.803   0.171   2.431
   14   2HD   ARG   2          1HD       ARG   2   6.217  -0.171   0.805
   15    HE   ARG   2           HE       ARG   2   8.391  -0.342   0.166
   16   1HH1  ARG   2          1HH1      ARG   2   8.252   1.767   2.939
   17   2HH1  ARG   2          2HH1      ARG   2   9.966   2.003   3.005
   18   1HH2  ARG   2          1HH2      ARG   2  10.648  -0.036   0.249
   19   2HH2  ARG   2          2HH2      ARG   2  11.327   0.978   1.477
   20    H    ARG   3           H        ARG   3   3.374   2.411  -0.479
   21    HA   ARG   3           HA       ARG   3   3.633   4.467  -2.401
   22   1HB   ARG   3          2HB       ARG   3   5.365   3.388  -3.841
   23   2HB   ARG   3          1HB       ARG   3   5.998   4.018  -2.324
   24   1HG   ARG   3          2HG       ARG   3   5.864   1.735  -1.377
   25   2HG   ARG   3          1HG       ARG   3   5.374   1.146  -2.966
   26   1HD   ARG   3          2HD       ARG   3   7.473   1.908  -3.922
   27   2HD   ARG   3          1HD       ARG   3   7.959   2.579  -2.365
   28    HE   ARG   3           HE       ARG   3   7.388  -0.143  -2.028
   29   1HH1  ARG   3          1HH1      ARG   3   9.730   1.912  -3.588
   30   2HH1  ARG   3          2HH1      ARG   3  11.014   0.755  -3.468
   31   1HH2  ARG   3          1HH2      ARG   3   9.071  -1.670  -1.866
   32   2HH2  ARG   3          2HH2      ARG   3  10.638  -1.283  -2.492
   33    H    TRP   4           H        TRP   4   1.754   2.426  -1.454
   34    HA   TRP   4           HA       TRP   4   0.589   1.716  -3.896
   35   1HB   TRP   4          2HB       TRP   4   0.754  -0.847  -3.481
   36   2HB   TRP   4          1HB       TRP   4   2.048  -0.015  -4.326
   37    HD1  TRP   4           HD       TRP   4   2.664   0.867  -0.873
   38    HE1  TRP   4           1HE      TRP   4   4.362  -0.714   0.216
   39    HE3  TRP   4           3HE      TRP   4   2.524  -2.933  -4.273
   40    HZ2  TRP   4           2HZ      TRP   4   5.498  -3.247  -0.286
   41    HZ3  TRP   4           3HZ      TRP   4   3.949  -4.907  -3.900
   42    HH2  TRP   4           HH       TRP   4   5.402  -5.060  -1.943
   43    H    GLN   5           H        GLN   5   0.868   0.367  -0.605
   44    HA   GLN   5           HA       GLN   5  -1.993   0.007  -0.524
   45   1HB   GLN   5          2HB       GLN   5   0.243  -0.692   1.345
   46   2HB   GLN   5          1HB       GLN   5  -1.430  -0.758   1.879
   47   1HG   GLN   5          2HG       GLN   5  -0.893  -2.940   1.213
   48   2HG   GLN   5          1HG       GLN   5  -1.863  -2.268  -0.088
   49   1HE2  GLN   5          1HE2      GLN   5  -1.202  -2.801  -1.995
   50   2HE2  GLN   5          2HE2      GLN   5   0.436  -3.074  -2.474
   51    H    TRP   6           H        TRP   6  -1.775   2.572  -0.887
   52    HA   TRP   6           HA       TRP   6  -1.694   3.941   1.682
   53   1HB   TRP   6          2HB       TRP   6  -2.581   5.747  -0.285
   54   2HB   TRP   6          1HB       TRP   6  -0.974   5.646   0.419
   55    HD1  TRP   6           HD       TRP   6   0.933   5.229  -1.235
   56    HE1  TRP   6           1HE      TRP   6   1.111   4.446  -3.679
   57    HE3  TRP   6           3HE      TRP   6  -3.969   3.991  -2.068
   58    HZ2  TRP   6           2HZ      TRP   6  -0.590   3.444  -5.691
   59    HZ3  TRP   6           3HZ      TRP   6  -4.603   3.132  -4.282
   60    HH2  TRP   6           HH       TRP   6  -2.948   2.863  -6.056
   61    H    ARG   7           H        ARG   7  -3.922   2.954  -0.792
   62    HA   ARG   7           HA       ARG   7  -6.163   3.611   0.996
   63   1HB   ARG   7          2HB       ARG   7  -6.242   3.564  -2.030
   64   2HB   ARG   7          1HB       ARG   7  -7.564   3.995  -0.955
   65   1HG   ARG   7          2HG       ARG   7  -5.023   5.532  -1.436
   66   2HG   ARG   7          1HG       ARG   7  -6.664   6.002  -1.866
   67   1HD   ARG   7          2HD       ARG   7  -5.452   5.793   0.878
   68   2HD   ARG   7          1HD       ARG   7  -6.076   7.233   0.076
   69    HE   ARG   7           HE       ARG   7  -7.551   5.422   1.643
   70   1HH1  ARG   7          1HH1      ARG   7  -7.805   7.269  -1.304
   71   2HH1  ARG   7          2HH1      ARG   7  -9.532   7.372  -1.240
   72   1HH2  ARG   7          1HH2      ARG   7  -9.822   5.553   1.732
   73   2HH2  ARG   7          2HH2      ARG   7 -10.679   6.398   0.486
   74    H    MET   8           H        MET   8  -4.826   1.524  -1.483
   75    HA   MET   8           HA       MET   8  -6.725  -0.606  -0.907
   76   1HB   MET   8          2HB       MET   8  -5.523  -1.805  -2.726
   77   2HB   MET   8          1HB       MET   8  -6.189  -0.264  -3.240
   78   1HG   MET   8          2HG       MET   8  -3.989   0.757  -3.067
   79   2HG   MET   8          1HG       MET   8  -3.314  -0.770  -2.502
   80   1HE   MET   8          1HE       MET   8  -2.048   0.367  -5.951
   81   2HE   MET   8          2HE       MET   8  -1.453  -1.126  -5.224
   82   3HE   MET   8          3HE       MET   8  -1.769   0.283  -4.212
   83    H    LYS   9           H        LYS   9  -5.508  -0.167   1.336
   84    HA   LYS   9           HA       LYS   9  -2.995  -1.350   1.786
   85   1HB   LYS   9          2HB       LYS   9  -5.266  -0.841   3.710
   86   2HB   LYS   9          1HB       LYS   9  -3.617  -1.236   4.171
   87   1HG   LYS   9          2HG       LYS   9  -2.784   0.803   3.374
   88   2HG   LYS   9          1HG       LYS   9  -4.266   1.159   2.491
   89   1HD   LYS   9          2HD       LYS   9  -4.171   2.511   4.491
   90   2HD   LYS   9          1HD       LYS   9  -5.464   1.322   4.654
   91   1HE   LYS   9          2HE       LYS   9  -3.970  -0.099   5.988
   92   2HE   LYS   9          1HE       LYS   9  -2.697   1.113   5.841
   93   1HZ   LYS   9          1HZ       LYS   9  -4.464   0.991   7.859
   94   2HZ   LYS   9          2HZ       LYS   9  -5.205   2.127   6.849
   95   3HZ   LYS   9          3HZ       LYS   9  -3.629   2.391   7.404
   96    H    LYS  10           H        LYS  10  -3.694  -3.337   0.390
   97    HA   LYS  10           HA       LYS  10  -5.071  -5.372   1.927
   98   1HB   LYS  10          2HB       LYS  10  -4.718  -6.793  -0.063
   99   2HB   LYS  10          1HB       LYS  10  -5.527  -5.282  -0.455
  100   1HG   LYS  10          2HG       LYS  10  -3.415  -4.358  -1.257
  101   2HG   LYS  10          1HG       LYS  10  -2.605  -5.876  -0.868
  102   1HD   LYS  10          2HD       LYS  10  -4.008  -7.057  -2.466
  103   2HD   LYS  10          1HD       LYS  10  -4.878  -5.563  -2.826
  104   1HE   LYS  10          2HE       LYS  10  -3.227  -5.995  -4.544
  105   2HE   LYS  10          1HE       LYS  10  -2.788  -4.557  -3.621
  106   1HZ   LYS  10          1HZ       LYS  10  -1.687  -7.176  -2.857
  107   2HZ   LYS  10          2HZ       LYS  10  -1.044  -5.632  -2.607
  108   3HZ   LYS  10          3HZ       LYS  10  -1.001  -6.324  -4.148
  109    H    LEU  11           H        LEU  11  -1.859  -4.712   0.626
  110    HA   LEU  11           HA       LEU  11  -0.714  -6.992   2.007
  111   1HB   LEU  11          2HB       LEU  11   0.029  -6.467  -0.267
  112   2HB   LEU  11          1HB       LEU  11   0.573  -4.889   0.272
  113    HG   LEU  11           HG       LEU  11   2.228  -5.997   1.748
  114   1HD1  LEU  11          1HD1      LEU  11   2.701  -8.374   1.433
  115   2HD1  LEU  11          2HD1      LEU  11   1.303  -8.510   0.367
  116   3HD1  LEU  11          3HD1      LEU  11   1.077  -8.116   2.070
  117   1HD2  LEU  11          1HD2      LEU  11   2.406  -5.474  -0.900
  118   2HD2  LEU  11          2HD2      LEU  11   2.843  -7.183  -0.869
  119   3HD2  LEU  11          3HD2      LEU  11   3.754  -6.024   0.096
  120    H    GLY  12           H        GLY  12  -1.297  -3.713   2.555
  121   1HA   GLY  12          2HA       GLY  12  -0.899  -2.438   4.447
  122   2HA   GLY  12          1HA       GLY  12  -0.010  -3.795   5.126
  123    HA   CYS  13           HA       CYS  13   2.551  -1.583   1.096
  124   1HB   CYS  13          2HB       CYS  13   3.146   0.556   1.819
  125   2HB   CYS  13          1HB       CYS  13   1.469   0.392   2.311
  126   1HN   NH2  14          H         CYS  13   3.853  -3.567   1.427
  127   2HN   NH2  14          2HN       CYS  13   4.737  -3.825   2.890
  Start of MODEL    9
    1   1H    CYS   1          1HT       CYS   1   0.284   4.376   1.972
    2   2H    CYS   1          2HT       CYS   1   1.184   5.587   2.736
    3   3H    CYS   1          3HT       CYS   1  -0.348   5.177   3.322
    4    HA   CYS   1           HA       CYS   1   1.005   4.099   4.807
    5   1HB   CYS   1          2HB       CYS   1  -0.653   2.622   3.604
    6   2HB   CYS   1          1HB       CYS   1   0.676   2.066   2.594
    7    H    ARG   2           H        ARG   2   2.279   3.678   1.516
    8    HA   ARG   2           HA       ARG   2   4.961   4.123   2.429
    9   1HB   ARG   2          2HB       ARG   2   4.664   1.741   3.017
   10   2HB   ARG   2          1HB       ARG   2   4.279   1.388   1.340
   11   1HG   ARG   2          2HG       ARG   2   6.551   0.777   1.757
   12   2HG   ARG   2          1HG       ARG   2   6.531   2.193   0.702
   13   1HD   ARG   2          2HD       ARG   2   6.971   3.635   2.620
   14   2HD   ARG   2          1HD       ARG   2   6.973   2.232   3.685
   15    HE   ARG   2           HE       ARG   2   9.145   1.909   3.102
   16   1HH1  ARG   2          1HH1      ARG   2   7.584   3.648   0.515
   17   2HH1  ARG   2          2HH1      ARG   2   9.025   3.778  -0.437
   18   1HH2  ARG   2          1HH2      ARG   2  11.044   2.080   1.856
   19   2HH2  ARG   2          2HH2      ARG   2  10.990   2.886   0.325
   20    H    ARG   3           H        ARG   3   3.435   2.365  -0.299
   21    HA   ARG   3           HA       ARG   3   3.768   4.459  -2.162
   22   1HB   ARG   3          2HB       ARG   3   5.628   3.498  -3.499
   23   2HB   ARG   3          1HB       ARG   3   6.140   4.066  -1.915
   24   1HG   ARG   3          2HG       ARG   3   6.072   1.763  -1.079
   25   2HG   ARG   3          1HG       ARG   3   5.601   1.206  -2.686
   26   1HD   ARG   3          2HD       ARG   3   7.692   2.036  -3.607
   27   2HD   ARG   3          1HD       ARG   3   8.159   2.660  -2.027
   28    HE   ARG   3           HE       ARG   3   7.635  -0.080  -1.781
   29   1HH1  ARG   3          1HH1      ARG   3   9.938   2.063  -3.282
   30   2HH1  ARG   3          2HH1      ARG   3  11.242   0.926  -3.206
   31   1HH2  ARG   3          1HH2      ARG   3   9.347  -1.586  -1.677
   32   2HH2  ARG   3          2HH2      ARG   3  10.905  -1.149  -2.295
   33    H    TRP   4           H        TRP   4   1.886   2.365  -1.388
   34    HA   TRP   4           HA       TRP   4   0.935   1.656  -3.921
   35   1HB   TRP   4          2HB       TRP   4   1.113  -0.905  -3.517
   36   2HB   TRP   4          1HB       TRP   4   2.457  -0.043  -4.243
   37    HD1  TRP   4           HD       TRP   4   2.867   0.852  -0.788
   38    HE1  TRP   4           1HE      TRP   4   4.459  -0.741   0.434
   39    HE3  TRP   4           3HE      TRP   4   2.854  -3.020  -4.117
   40    HZ2  TRP   4           2HZ      TRP   4   5.567  -3.313   0.054
   41    HZ3  TRP   4           3HZ      TRP   4   4.206  -5.015  -3.614
   42    HH2  TRP   4           HH       TRP   4   5.532  -5.157  -1.568
   43    H    GLN   5           H        GLN   5   0.968   0.358  -0.601
   44    HA   GLN   5           HA       GLN   5  -1.896  -0.040  -0.767
   45   1HB   GLN   5          2HB       GLN   5   0.197  -0.814   1.228
   46   2HB   GLN   5          1HB       GLN   5  -1.505  -0.859   1.662
   47   1HG   GLN   5          2HG       GLN   5  -0.943  -3.037   0.980
   48   2HG   GLN   5          1HG       GLN   5  -1.858  -2.329  -0.342
   49   1HE2  GLN   5          1HE2      GLN   5  -1.122  -2.739  -2.247
   50   2HE2  GLN   5          2HE2      GLN   5   0.528  -3.047  -2.666
   51    H    TRP   6           H        TRP   6  -1.530   2.573  -1.013
   52    HA   TRP   6           HA       TRP   6  -1.651   3.842   1.593
   53   1HB   TRP   6          2HB       TRP   6  -2.469   5.680  -0.406
   54   2HB   TRP   6          1HB       TRP   6  -0.930   5.625   0.444
   55    HD1  TRP   6           HD       TRP   6   1.146   5.251  -1.018
   56    HE1  TRP   6           1HE      TRP   6   1.572   4.536  -3.451
   57    HE3  TRP   6           3HE      TRP   6  -3.635   4.000  -2.360
   58    HZ2  TRP   6           2HZ      TRP   6   0.089   3.579  -5.648
   59    HZ3  TRP   6           3HZ      TRP   6  -4.041   3.199  -4.649
   60    HH2  TRP   6           HH       TRP   6  -2.217   2.991  -6.257
   61    H    ARG   7           H        ARG   7  -3.760   3.151  -1.121
   62    HA   ARG   7           HA       ARG   7  -6.110   3.729   0.560
   63   1HB   ARG   7          2HB       ARG   7  -5.897   3.611  -2.461
   64   2HB   ARG   7          1HB       ARG   7  -7.365   3.940  -1.555
   65   1HG   ARG   7          2HG       ARG   7  -4.910   5.674  -1.437
   66   2HG   ARG   7          1HG       ARG   7  -6.254   5.944  -2.546
   67   1HD   ARG   7          2HD       ARG   7  -6.634   7.364  -0.697
   68   2HD   ARG   7          1HD       ARG   7  -7.754   6.016  -0.515
   69    HE   ARG   7           HE       ARG   7  -5.357   5.508   0.899
   70   1HH1  ARG   7          1HH1      ARG   7  -8.255   7.439   1.030
   71   2HH1  ARG   7          2HH1      ARG   7  -8.247   7.564   2.757
   72   1HH2  ARG   7          1HH2      ARG   7  -5.340   5.668   3.173
   73   2HH2  ARG   7          2HH2      ARG   7  -6.591   6.559   3.974
   74    H    MET   8           H        MET   8  -4.609   1.555  -1.738
   75    HA   MET   8           HA       MET   8  -6.548  -0.555  -1.214
   76   1HB   MET   8          2HB       MET   8  -5.226  -1.791  -2.948
   77   2HB   MET   8          1HB       MET   8  -5.945  -0.295  -3.520
   78   1HG   MET   8          2HG       MET   8  -3.791   0.827  -3.283
   79   2HG   MET   8          1HG       MET   8  -3.073  -0.674  -2.703
   80   1HE   MET   8          1HE       MET   8  -4.469  -2.785  -4.339
   81   2HE   MET   8          2HE       MET   8  -2.712  -2.906  -4.440
   82   3HE   MET   8          3HE       MET   8  -3.684  -2.947  -5.910
   83    H    LYS   9           H        LYS   9  -5.504  -0.181   1.086
   84    HA   LYS   9           HA       LYS   9  -3.000  -1.328   1.683
   85   1HB   LYS   9          2HB       LYS   9  -5.405  -0.863   3.447
   86   2HB   LYS   9          1HB       LYS   9  -3.798  -1.278   4.024
   87   1HG   LYS   9          2HG       LYS   9  -2.902   0.775   3.375
   88   2HG   LYS   9          1HG       LYS   9  -4.281   1.154   2.346
   89   1HD   LYS   9          2HD       LYS   9  -4.362   2.462   4.392
   90   2HD   LYS   9          1HD       LYS   9  -5.705   1.319   4.347
   91   1HE   LYS   9          2HE       LYS   9  -4.437  -0.202   5.805
   92   2HE   LYS   9          1HE       LYS   9  -3.124   0.974   5.873
   93   1HZ   LYS   9          1HZ       LYS   9  -5.826   1.825   6.641
   94   2HZ   LYS   9          2HZ       LYS   9  -4.327   2.375   7.197
   95   3HZ   LYS   9          3HZ       LYS   9  -4.931   0.889   7.731
   96    H    LYS  10           H        LYS  10  -3.692  -3.286   0.168
   97    HA   LYS  10           HA       LYS  10  -5.085  -5.355   1.643
   98   1HB   LYS  10          2HB       LYS  10  -4.729  -6.721  -0.389
   99   2HB   LYS  10          1HB       LYS  10  -5.530  -5.196  -0.738
  100   1HG   LYS  10          2HG       LYS  10  -3.409  -4.261  -1.517
  101   2HG   LYS  10          1HG       LYS  10  -2.611  -5.795  -1.173
  102   1HD   LYS  10          2HD       LYS  10  -4.877  -5.398  -3.126
  103   2HD   LYS  10          1HD       LYS  10  -3.173  -5.555  -3.556
  104   1HE   LYS  10          2HE       LYS  10  -3.133  -7.799  -2.587
  105   2HE   LYS  10          1HE       LYS  10  -4.831  -7.641  -2.140
  106   1HZ   LYS  10          1HZ       LYS  10  -3.764  -7.600  -4.913
  107   2HZ   LYS  10          2HZ       LYS  10  -5.394  -7.457  -4.482
  108   3HZ   LYS  10          3HZ       LYS  10  -4.565  -8.900  -4.183
  109    H    LEU  11           H        LEU  11  -1.855  -4.719   0.339
  110    HA   LEU  11           HA       LEU  11  -0.757  -7.031   1.712
  111   1HB   LEU  11          2HB       LEU  11  -0.042  -6.410  -0.593
  112   2HB   LEU  11          1HB       LEU  11   0.654  -4.940   0.060
  113    HG   LEU  11           HG       LEU  11   2.231  -6.271   1.395
  114   1HD1  LEU  11          1HD1      LEU  11   0.467  -8.424   0.589
  115   2HD1  LEU  11          2HD1      LEU  11   1.660  -8.365   1.887
  116   3HD1  LEU  11          3HD1      LEU  11   2.159  -8.788   0.249
  117   1HD2  LEU  11          1HD2      LEU  11   2.803  -7.527  -1.132
  118   2HD2  LEU  11          2HD2      LEU  11   3.633  -6.197  -0.326
  119   3HD2  LEU  11          3HD2      LEU  11   2.247  -5.870  -1.366
  120    H    GLY  12           H        GLY  12  -1.481  -3.884   2.463
  121   1HA   GLY  12          2HA       GLY  12  -1.040  -2.613   4.328
  122   2HA   GLY  12          1HA       GLY  12  -0.131  -3.974   4.969
  123    HA   CYS  13           HA       CYS  13   2.450  -1.626   1.041
  124   1HB   CYS  13          2HB       CYS  13   2.990   0.524   1.833
  125   2HB   CYS  13          1HB       CYS  13   1.282   0.314   2.184
  126   1HN   NH2  14          H         CYS  13   3.835  -3.536   1.366
  127   2HN   NH2  14          2HN       CYS  13   4.670  -3.801   2.857
  Start of MODEL   10
    1   1H    CYS   1          1HT       CYS   1  -0.429   5.449   3.439
    2   2H    CYS   1          2HT       CYS   1  -0.348   4.325   2.179
    3   3H    CYS   1          3HT       CYS   1   0.881   5.470   2.369
    4    HA   CYS   1           HA       CYS   1   0.803   4.220   4.785
    5   1HB   CYS   1          2HB       CYS   1  -0.698   2.558   3.636
    6   2HB   CYS   1          1HB       CYS   1   0.647   2.163   2.573
    7    H    ARG   2           H        ARG   2   2.060   3.914   1.478
    8    HA   ARG   2           HA       ARG   2   4.681   4.697   2.316
    9   1HB   ARG   2          2HB       ARG   2   4.748   2.346   3.002
   10   2HB   ARG   2          1HB       ARG   2   4.290   1.850   1.378
   11   1HG   ARG   2          2HG       ARG   2   6.371   2.758   0.500
   12   2HG   ARG   2          1HG       ARG   2   6.829   3.286   2.120
   13   1HD   ARG   2          2HD       ARG   2   6.811   0.965   2.884
   14   2HD   ARG   2          1HD       ARG   2   6.334   0.433   1.273
   15    HE   ARG   2           HE       ARG   2   8.699   1.913   1.053
   16   1HH1  ARG   2          1HH1      ARG   2   7.579  -1.110   2.379
   17   2HH1  ARG   2          2HH1      ARG   2   9.105  -1.906   2.187
   18   1HH2  ARG   2          1HH2      ARG   2  10.709   0.872   0.797
   19   2HH2  ARG   2          2HH2      ARG   2  10.885  -0.779   1.292
   20    H    ARG   3           H        ARG   3   3.249   2.722  -0.319
   21    HA   ARG   3           HA       ARG   3   3.327   4.788  -2.219
   22   1HB   ARG   3          2HB       ARG   3   5.218   3.854  -3.633
   23   2HB   ARG   3          1HB       ARG   3   5.675   4.736  -2.184
   24   1HG   ARG   3          2HG       ARG   3   7.093   2.868  -2.276
   25   2HG   ARG   3          1HG       ARG   3   5.895   2.503  -1.034
   26   1HD   ARG   3          2HD       ARG   3   4.641   1.156  -2.658
   27   2HD   ARG   3          1HD       ARG   3   5.860   1.509  -3.882
   28    HE   ARG   3           HE       ARG   3   6.000  -0.506  -1.921
   29   1HH1  ARG   3          1HH1      ARG   3   7.999   1.911  -3.449
   30   2HH1  ARG   3          2HH1      ARG   3   9.469   1.025  -3.212
   31   1HH2  ARG   3          1HH2      ARG   3   7.930  -1.673  -1.610
   32   2HH2  ARG   3          2HH2      ARG   3   9.429  -1.011  -2.170
   33    H    TRP   4           H        TRP   4   1.649   2.586  -1.360
   34    HA   TRP   4           HA       TRP   4   0.639   1.805  -3.840
   35   1HB   TRP   4          2HB       TRP   4   0.989  -0.729  -3.500
   36   2HB   TRP   4          1HB       TRP   4   2.274   0.219  -4.229
   37    HD1  TRP   4           HD       TRP   4   2.687   1.055  -0.765
   38    HE1  TRP   4           1HE      TRP   4   4.388  -0.472   0.393
   39    HE3  TRP   4           3HE      TRP   4   2.827  -2.731  -4.183
   40    HZ2  TRP   4           2HZ      TRP   4   5.629  -2.969  -0.067
   41    HZ3  TRP   4           3HZ      TRP   4   4.299  -4.660  -3.752
   42    HH2  TRP   4           HH       TRP   4   5.667  -4.775  -1.733
   43    H    GLN   5           H        GLN   5   0.903   0.499  -0.532
   44    HA   GLN   5           HA       GLN   5  -1.923  -0.120  -0.585
   45   1HB   GLN   5          2HB       GLN   5   0.293  -0.666   1.349
   46   2HB   GLN   5          1HB       GLN   5  -1.382  -0.823   1.861
   47   1HG   GLN   5          2HG       GLN   5  -0.715  -2.972   1.206
   48   2HG   GLN   5          1HG       GLN   5  -1.704  -2.353  -0.110
   49   1HE2  GLN   5          1HE2      GLN   5  -0.989  -2.726  -2.029
   50   2HE2  GLN   5          2HE2      GLN   5   0.666  -2.949  -2.483
   51    H    TRP   6           H        TRP   6  -1.744   2.534  -0.901
   52    HA   TRP   6           HA       TRP   6  -1.950   3.847   1.676
   53   1HB   TRP   6          2HB       TRP   6  -2.983   5.550  -0.337
   54   2HB   TRP   6          1HB       TRP   6  -1.428   5.661   0.474
   55    HD1  TRP   6           HD       TRP   6   0.648   5.428  -1.016
   56    HE1  TRP   6           1HE      TRP   6   1.082   4.738  -3.456
   57    HE3  TRP   6           3HE      TRP   6  -4.039   3.783  -2.249
   58    HZ2  TRP   6           2HZ      TRP   6  -0.366   3.648  -5.618
   59    HZ3  TRP   6           3HZ      TRP   6  -4.428   2.939  -4.527
   60    HH2  TRP   6           HH       TRP   6  -2.628   2.872  -6.175
   61    H    ARG   7           H        ARG   7  -4.054   3.078  -1.036
   62    HA   ARG   7           HA       ARG   7  -6.415   3.440   0.675
   63   1HB   ARG   7          2HB       ARG   7  -6.199   3.210  -2.339
   64   2HB   ARG   7          1HB       ARG   7  -7.689   3.445  -1.442
   65   1HG   ARG   7          2HG       ARG   7  -5.404   5.395  -1.379
   66   2HG   ARG   7          1HG       ARG   7  -6.736   5.491  -2.529
   67   1HD   ARG   7          2HD       ARG   7  -7.348   6.939  -0.795
   68   2HD   ARG   7          1HD       ARG   7  -8.271   5.470  -0.490
   69    HE   ARG   7           HE       ARG   7  -7.200   5.309   1.508
   70   1HH1  ARG   7          1HH1      ARG   7  -5.210   7.198  -0.642
   71   2HH1  ARG   7          2HH1      ARG   7  -4.014   7.544   0.563
   72   1HH2  ARG   7          1HH2      ARG   7  -5.633   5.770   3.102
   73   2HH2  ARG   7          2HH2      ARG   7  -4.254   6.734   2.688
   74    H    MET   8           H        MET   8  -4.883   1.328  -1.691
   75    HA   MET   8           HA       MET   8  -6.591  -0.915  -0.996
   76   1HB   MET   8          2HB       MET   8  -5.225  -2.101  -2.738
   77   2HB   MET   8          1HB       MET   8  -6.111  -0.704  -3.327
   78   1HG   MET   8          2HG       MET   8  -4.067   0.623  -3.248
   79   2HG   MET   8          1HG       MET   8  -3.182  -0.771  -2.632
   80   1HE   MET   8          1HE       MET   8  -2.282   0.758  -5.730
   81   2HE   MET   8          2HE       MET   8  -1.532  -0.822  -5.948
   82   3HE   MET   8          3HE       MET   8  -1.574  -0.078  -4.349
   83    H    LYS   9           H        LYS   9  -5.595  -0.530   1.258
   84    HA   LYS   9           HA       LYS   9  -2.957  -1.390   1.802
   85   1HB   LYS   9          2HB       LYS   9  -5.296  -1.379   3.706
   86   2HB   LYS   9          1HB       LYS   9  -3.590  -1.314   4.122
   87   1HG   LYS   9          2HG       LYS   9  -3.435   0.888   3.024
   88   2HG   LYS   9          1HG       LYS   9  -5.168   0.821   2.702
   89   1HD   LYS   9          2HD       LYS   9  -5.607   0.687   5.107
   90   2HD   LYS   9          1HD       LYS   9  -3.871   0.754   5.424
   91   1HE   LYS   9          2HE       LYS   9  -3.763   2.969   4.409
   92   2HE   LYS   9          1HE       LYS   9  -5.491   2.902   4.058
   93   1HZ   LYS   9          1HZ       LYS   9  -6.039   3.215   6.235
   94   2HZ   LYS   9          2HZ       LYS   9  -4.590   4.088   6.193
   95   3HZ   LYS   9          3HZ       LYS   9  -4.615   2.521   6.829
   96    H    LYS  10           H        LYS  10  -3.433  -3.380   0.270
   97    HA   LYS  10           HA       LYS  10  -4.648  -5.605   1.655
   98   1HB   LYS  10          2HB       LYS  10  -4.033  -6.896  -0.370
   99   2HB   LYS  10          1HB       LYS  10  -4.990  -5.467  -0.733
  100   1HG   LYS  10          2HG       LYS  10  -2.904  -4.279  -1.344
  101   2HG   LYS  10          1HG       LYS  10  -2.017  -5.782  -1.086
  102   1HD   LYS  10          2HD       LYS  10  -4.273  -5.417  -3.057
  103   2HD   LYS  10          1HD       LYS  10  -2.558  -5.376  -3.466
  104   1HE   LYS  10          2HE       LYS  10  -2.315  -7.679  -2.678
  105   2HE   LYS  10          1HE       LYS  10  -4.028  -7.718  -2.260
  106   1HZ   LYS  10          1HZ       LYS  10  -3.251  -7.042  -5.009
  107   2HZ   LYS  10          2HZ       LYS  10  -4.654  -7.800  -4.446
  108   3HZ   LYS  10          3HZ       LYS  10  -3.203  -8.663  -4.523
  109    H    LEU  11           H        LEU  11  -1.413  -4.699   0.504
  110    HA   LEU  11           HA       LEU  11  -0.233  -6.896   2.012
  111   1HB   LEU  11          2HB       LEU  11   0.522  -6.431  -0.298
  112   2HB   LEU  11          1HB       LEU  11   1.079  -4.852   0.220
  113    HG   LEU  11           HG       LEU  11   2.708  -5.935   1.729
  114   1HD1  LEU  11          1HD1      LEU  11   2.161  -8.545   0.387
  115   2HD1  LEU  11          2HD1      LEU  11   1.238  -8.079   1.816
  116   3HD1  LEU  11          3HD1      LEU  11   2.994  -8.215   1.906
  117   1HD2  LEU  11          1HD2      LEU  11   3.159  -7.172  -0.941
  118   2HD2  LEU  11          2HD2      LEU  11   4.271  -6.272   0.088
  119   3HD2  LEU  11          3HD2      LEU  11   3.030  -5.417  -0.825
  120    H    GLY  12           H        GLY  12  -1.175  -3.791   2.606
  121   1HA   GLY  12          2HA       GLY  12  -0.803  -2.364   4.367
  122   2HA   GLY  12          1HA       GLY  12   0.123  -3.654   5.119
  123    HA   CYS  13           HA       CYS  13   2.813  -1.519   1.146
  124   1HB   CYS  13          2HB       CYS  13   3.179   0.711   1.743
  125   2HB   CYS  13          1HB       CYS  13   1.490   0.442   2.140
  126   1HN   NH2  14          H         CYS  13   3.545  -3.715   2.549
  127   2HN   NH2  14          2HN       CYS  13   4.939  -3.419   3.528
  Start of MODEL   11
    1   1H    CYS   1          1HT       CYS   1  -0.685   4.686   3.161
    2   2H    CYS   1          2HT       CYS   1   0.544   4.481   2.018
    3   3H    CYS   1          3HT       CYS   1   0.671   5.700   3.182
    4    HA   CYS   1           HA       CYS   1   0.869   4.105   4.939
    5   1HB   CYS   1          2HB       CYS   1  -0.638   2.459   3.786
    6   2HB   CYS   1          1HB       CYS   1   0.712   2.027   2.744
    7    H    ARG   2           H        ARG   2   2.211   3.829   1.668
    8    HA   ARG   2           HA       ARG   2   4.827   4.509   2.597
    9   1HB   ARG   2          2HB       ARG   2   4.689   2.086   3.198
   10   2HB   ARG   2          1HB       ARG   2   4.489   1.722   1.490
   11   1HG   ARG   2          2HG       ARG   2   6.673   2.676   1.014
   12   2HG   ARG   2          1HG       ARG   2   6.875   3.085   2.717
   13   1HD   ARG   2          2HD       ARG   2   6.706   0.692   3.286
   14   2HD   ARG   2          1HD       ARG   2   6.585   0.311   1.568
   15    HE   ARG   2           HE       ARG   2   8.960   0.781   3.018
   16   1HH1  ARG   2          1HH1      ARG   2   7.486   1.450  -0.068
   17   2HH1  ARG   2          2HH1      ARG   2   8.997   1.608  -0.899
   18   1HH2  ARG   2          1HH2      ARG   2  10.952   0.986   1.929
   19   2HH2  ARG   2          2HH2      ARG   2  10.964   1.343   0.234
   20    H    ARG   3           H        ARG   3   3.431   2.624  -0.120
   21    HA   ARG   3           HA       ARG   3   3.616   4.732  -1.971
   22   1HB   ARG   3          2HB       ARG   3   5.529   3.828  -3.343
   23   2HB   ARG   3          1HB       ARG   3   5.975   4.592  -1.826
   24   1HG   ARG   3          2HG       ARG   3   7.318   2.704  -1.915
   25   2HG   ARG   3          1HG       ARG   3   5.995   2.224  -0.854
   26   1HD   ARG   3          2HD       ARG   3   4.905   1.098  -2.737
   27   2HD   ARG   3          1HD       ARG   3   6.237   1.574  -3.789
   28    HE   ARG   3           HE       ARG   3   7.218   0.149  -1.554
   29   1HH1  ARG   3          1HH1      ARG   3   5.481  -0.315  -4.539
   30   2HH1  ARG   3          2HH1      ARG   3   6.012  -1.951  -4.743
   31   1HH2  ARG   3          1HH2      ARG   3   7.925  -2.004  -1.817
   32   2HH2  ARG   3          2HH2      ARG   3   7.402  -2.910  -3.197
   33    H    TRP   4           H        TRP   4   1.884   2.525  -1.198
   34    HA   TRP   4           HA       TRP   4   0.945   1.809  -3.736
   35   1HB   TRP   4          2HB       TRP   4   1.227  -0.739  -3.392
   36   2HB   TRP   4          1HB       TRP   4   2.556   0.186  -4.070
   37    HD1  TRP   4           HD       TRP   4   2.905   1.030  -0.615
   38    HE1  TRP   4           1HE      TRP   4   4.504  -0.550   0.616
   39    HE3  TRP   4           3HE      TRP   4   3.002  -2.809  -3.980
   40    HZ2  TRP   4           2HZ      TRP   4   5.658  -3.100   0.228
   41    HZ3  TRP   4           3HZ      TRP   4   4.378  -4.787  -3.476
   42    HH2  TRP   4           HH       TRP   4   5.677  -4.929  -1.412
   43    H    GLN   5           H        GLN   5   1.044   0.476  -0.430
   44    HA   GLN   5           HA       GLN   5  -1.798  -0.056  -0.593
   45   1HB   GLN   5          2HB       GLN   5   0.329  -0.700   1.408
   46   2HB   GLN   5          1HB       GLN   5  -1.365  -0.804   1.862
   47   1HG   GLN   5          2HG       GLN   5  -0.757  -2.968   1.211
   48   2HG   GLN   5          1HG       GLN   5  -1.667  -2.305  -0.136
   49   1HE2  GLN   5          1HE2      GLN   5  -0.894  -2.802  -2.013
   50   2HE2  GLN   5          2HE2      GLN   5   0.772  -3.041  -2.405
   51    H    TRP   6           H        TRP   6  -1.474   2.605  -0.858
   52    HA   TRP   6           HA       TRP   6  -1.746   3.887   1.726
   53   1HB   TRP   6          2HB       TRP   6  -2.602   5.675  -0.290
   54   2HB   TRP   6          1HB       TRP   6  -1.072   5.684   0.574
   55    HD1  TRP   6           HD       TRP   6   1.020   5.439  -0.877
   56    HE1  TRP   6           1HE      TRP   6   1.504   4.729  -3.302
   57    HE3  TRP   6           3HE      TRP   6  -3.667   3.906  -2.231
   58    HZ2  TRP   6           2HZ      TRP   6   0.090   3.668  -5.500
   59    HZ3  TRP   6           3HZ      TRP   6  -4.016   3.061  -4.516
   60    HH2  TRP   6           HH       TRP   6  -2.175   2.945  -6.116
   61    H    ARG   7           H        ARG   7  -3.745   3.066  -1.027
   62    HA   ARG   7           HA       ARG   7  -6.165   3.544   0.580
   63   1HB   ARG   7          2HB       ARG   7  -5.862   3.436  -2.433
   64   2HB   ARG   7          1HB       ARG   7  -7.362   3.717  -1.566
   65   1HG   ARG   7          2HG       ARG   7  -4.967   5.532  -1.419
   66   2HG   ARG   7          1HG       ARG   7  -6.321   5.760  -2.524
   67   1HD   ARG   7          2HD       ARG   7  -6.748   7.161  -0.672
   68   2HD   ARG   7          1HD       ARG   7  -7.816   5.772  -0.486
   69    HE   ARG   7           HE       ARG   7  -5.403   5.333   0.911
   70   1HH1  ARG   7          1HH1      ARG   7  -8.336   7.205   1.066
   71   2HH1  ARG   7          2HH1      ARG   7  -8.311   7.342   2.792
   72   1HH2  ARG   7          1HH2      ARG   7  -5.359   5.508   3.184
   73   2HH2  ARG   7          2HH2      ARG   7  -6.617   6.378   3.996
   74    H    MET   8           H        MET   8  -4.611   1.482  -1.807
   75    HA   MET   8           HA       MET   8  -6.428  -0.725  -1.311
   76   1HB   MET   8          2HB       MET   8  -4.942  -1.892  -2.989
   77   2HB   MET   8          1HB       MET   8  -5.782  -0.470  -3.589
   78   1HG   MET   8          2HG       MET   8  -3.742   0.846  -3.301
   79   2HG   MET   8          1HG       MET   8  -2.906  -0.588  -2.707
   80   1HE   MET   8          1HE       MET   8  -4.185  -2.873  -4.928
   81   2HE   MET   8          2HE       MET   8  -2.688  -2.738  -4.004
   82   3HE   MET   8          3HE       MET   8  -2.631  -2.868  -5.762
   83    H    LYS   9           H        LYS   9  -5.530  -0.376   1.026
   84    HA   LYS   9           HA       LYS   9  -2.982  -1.374   1.714
   85   1HB   LYS   9          2HB       LYS   9  -5.437  -1.268   3.465
   86   2HB   LYS   9          1HB       LYS   9  -3.761  -1.301   3.993
   87   1HG   LYS   9          2HG       LYS   9  -3.397   0.898   2.995
   88   2HG   LYS   9          1HG       LYS   9  -5.078   0.929   2.458
   89   1HD   LYS   9          2HD       LYS   9  -5.819   0.796   4.792
   90   2HD   LYS   9          1HD       LYS   9  -4.137   0.785   5.322
   91   1HE   LYS   9          2HE       LYS   9  -3.806   2.997   4.354
   92   2HE   LYS   9          1HE       LYS   9  -5.472   3.004   3.773
   93   1HZ   LYS   9          1HZ       LYS   9  -4.930   2.623   6.641
   94   2HZ   LYS   9          2HZ       LYS   9  -6.300   3.267   5.888
   95   3HZ   LYS   9          3HZ       LYS   9  -4.881   4.181   5.983
   96    H    LYS  10           H        LYS  10  -3.411  -3.333   0.146
   97    HA   LYS  10           HA       LYS  10  -4.811  -5.516   1.426
   98   1HB   LYS  10          2HB       LYS  10  -4.172  -6.815  -0.565
   99   2HB   LYS  10          1HB       LYS  10  -4.984  -5.314  -0.989
  100   1HG   LYS  10          2HG       LYS  10  -2.848  -4.286  -1.517
  101   2HG   LYS  10          1HG       LYS  10  -2.010  -5.766  -1.050
  102   1HD   LYS  10          2HD       LYS  10  -3.170  -6.982  -2.829
  103   2HD   LYS  10          1HD       LYS  10  -4.008  -5.499  -3.294
  104   1HE   LYS  10          2HE       LYS  10  -1.845  -4.447  -3.767
  105   2HE   LYS  10          1HE       LYS  10  -1.028  -5.952  -3.349
  106   1HZ   LYS  10          1HZ       LYS  10  -2.184  -5.200  -5.809
  107   2HZ   LYS  10          2HZ       LYS  10  -2.970  -6.582  -5.230
  108   3HZ   LYS  10          3HZ       LYS  10  -1.292  -6.589  -5.439
  109    H    LEU  11           H        LEU  11  -1.494  -4.672   0.527
  110    HA   LEU  11           HA       LEU  11  -0.467  -6.944   2.043
  111   1HB   LEU  11          2HB       LEU  11   0.409  -6.490  -0.225
  112   2HB   LEU  11          1HB       LEU  11   0.997  -4.936   0.332
  113    HG   LEU  11           HG       LEU  11   2.511  -6.093   1.909
  114   1HD1  LEU  11          1HD1      LEU  11   1.176  -8.497   0.745
  115   2HD1  LEU  11          2HD1      LEU  11   1.582  -8.139   2.424
  116   3HD1  LEU  11          3HD1      LEU  11   2.851  -8.599   1.288
  117   1HD2  LEU  11          1HD2      LEU  11   2.811  -5.724  -0.789
  118   2HD2  LEU  11          2HD2      LEU  11   3.262  -7.417  -0.580
  119   3HD2  LEU  11          3HD2      LEU  11   4.097  -6.162   0.335
  120    H    GLY  12           H        GLY  12  -1.253  -3.757   2.551
  121   1HA   GLY  12          2HA       GLY  12  -0.936  -2.375   4.362
  122   2HA   GLY  12          1HA       GLY  12  -0.072  -3.693   5.142
  123    HA   CYS  13           HA       CYS  13   2.745  -1.563   1.245
  124   1HB   CYS  13          2HB       CYS  13   3.231   0.614   1.948
  125   2HB   CYS  13          1HB       CYS  13   1.524   0.415   2.302
  126   1HN   NH2  14          H         CYS  13   3.929  -3.589   1.836
  127   2HN   NH2  14          2HN       CYS  13   4.838  -3.687   3.305
  Start of MODEL   12
    1   1H    CYS   1          1HT       CYS   1   1.440   5.637   2.210
    2   2H    CYS   1          2HT       CYS   1   0.039   5.372   3.122
    3   3H    CYS   1          3HT       CYS   1   0.353   4.421   1.758
    4    HA   CYS   1           HA       CYS   1   1.466   4.261   4.443
    5   1HB   CYS   1          2HB       CYS   1  -0.212   2.686   3.420
    6   2HB   CYS   1          1HB       CYS   1   1.035   2.189   2.283
    7    H    ARG   2           H        ARG   2   2.474   3.791   1.063
    8    HA   ARG   2           HA       ARG   2   5.180   4.456   1.699
    9   1HB   ARG   2          2HB       ARG   2   5.148   2.120   2.471
   10   2HB   ARG   2          1HB       ARG   2   4.608   1.603   0.881
   11   1HG   ARG   2          2HG       ARG   2   6.691   2.377  -0.102
   12   2HG   ARG   2          1HG       ARG   2   7.231   2.958   1.474
   13   1HD   ARG   2          2HD       ARG   2   6.628   0.094   0.741
   14   2HD   ARG   2          1HD       ARG   2   8.232   0.797   0.945
   15    HE   ARG   2           HE       ARG   2   6.586  -0.214   2.991
   16   1HH1  ARG   2          1HH1      ARG   2   8.716   2.463   2.317
   17   2HH1  ARG   2          2HH1      ARG   2   9.120   2.725   3.980
   18   1HH2  ARG   2          1HH2      ARG   2   7.113   0.129   5.183
   19   2HH2  ARG   2          2HH2      ARG   2   8.209   1.400   5.608
   20    H    ARG   3           H        ARG   3   3.478   2.473  -0.767
   21    HA   ARG   3           HA       ARG   3   3.557   4.474  -2.738
   22   1HB   ARG   3          2HB       ARG   3   5.292   3.374  -4.233
   23   2HB   ARG   3          1HB       ARG   3   5.892   4.276  -2.851
   24   1HG   ARG   3          2HG       ARG   3   7.189   2.332  -2.932
   25   2HG   ARG   3          1HG       ARG   3   6.025   2.058  -1.635
   26   1HD   ARG   3          2HD       ARG   3   4.643   0.733  -3.154
   27   2HD   ARG   3          1HD       ARG   3   5.793   1.021  -4.459
   28    HE   ARG   3           HE       ARG   3   5.979  -0.977  -2.485
   29   1HH1  ARG   3          1HH1      ARG   3   7.971   1.344  -4.166
   30   2HH1  ARG   3          2HH1      ARG   3   9.420   0.411  -3.996
   31   1HH2  ARG   3          1HH2      ARG   3   7.885  -2.206  -2.262
   32   2HH2  ARG   3          2HH2      ARG   3   9.372  -1.604  -2.917
   33    H    TRP   4           H        TRP   4   1.797   2.408  -1.711
   34    HA   TRP   4           HA       TRP   4   0.586   1.633  -4.099
   35   1HB   TRP   4          2HB       TRP   4   0.802  -0.909  -3.727
   36   2HB   TRP   4          1HB       TRP   4   2.095  -0.057  -4.552
   37    HD1  TRP   4           HD       TRP   4   2.802   0.815  -1.150
   38    HE1  TRP   4           1HE      TRP   4   4.463  -0.809  -0.068
   39    HE3  TRP   4           3HE      TRP   4   2.430  -3.046  -4.463
   40    HZ2  TRP   4           2HZ      TRP   4   5.485  -3.404  -0.542
   41    HZ3  TRP   4           3HZ      TRP   4   3.780  -5.069  -4.082
   42    HH2  TRP   4           HH       TRP   4   5.273  -5.244  -2.158
   43    H    GLN   5           H        GLN   5   0.983   0.432  -0.769
   44    HA   GLN   5           HA       GLN   5  -1.868  -0.051  -0.629
   45   1HB   GLN   5          2HB       GLN   5   0.441  -0.656   1.171
   46   2HB   GLN   5          1HB       GLN   5  -1.199  -0.703   1.803
   47   1HG   GLN   5          2HG       GLN   5  -0.708  -2.905   1.186
   48   2HG   GLN   5          1HG       GLN   5  -1.736  -2.276  -0.092
   49   1HE2  GLN   5          1HE2      GLN   5  -1.169  -2.870  -2.008
   50   2HE2  GLN   5          2HE2      GLN   5   0.441  -3.169  -2.557
   51    H    TRP   6           H        TRP   6  -1.632   2.567  -1.039
   52    HA   TRP   6           HA       TRP   6  -1.615   3.957   1.517
   53   1HB   TRP   6          2HB       TRP   6  -2.614   5.675  -0.505
   54   2HB   TRP   6          1HB       TRP   6  -1.033   5.714   0.263
   55    HD1  TRP   6           HD       TRP   6   0.985   5.321  -1.274
   56    HE1  TRP   6           1HE      TRP   6   1.309   4.545  -3.704
   57    HE3  TRP   6           3HE      TRP   6  -3.824   3.932  -2.338
   58    HZ2  TRP   6           2HZ      TRP   6  -0.260   3.492  -5.798
   59    HZ3  TRP   6           3HZ      TRP   6  -4.327   3.057  -4.582
   60    HH2  TRP   6           HH       TRP   6  -2.581   2.841  -6.274
   61    H    ARG   7           H        ARG   7  -3.876   3.214  -1.076
   62    HA   ARG   7           HA       ARG   7  -6.131   3.772   0.731
   63   1HB   ARG   7          2HB       ARG   7  -6.092   3.548  -2.290
   64   2HB   ARG   7          1HB       ARG   7  -7.501   3.915  -1.311
   65   1HG   ARG   7          2HG       ARG   7  -5.044   5.646  -1.404
   66   2HG   ARG   7          1HG       ARG   7  -6.447   5.875  -2.447
   67   1HD   ARG   7          2HD       ARG   7  -6.732   7.369  -0.645
   68   2HD   ARG   7          1HD       ARG   7  -7.829   6.025  -0.334
   69    HE   ARG   7           HE       ARG   7  -5.369   5.563   0.961
   70   1HH1  ARG   7          1HH1      ARG   7  -8.198   7.588   1.155
   71   2HH1  ARG   7          2HH1      ARG   7  -8.063   7.836   2.864
   72   1HH2  ARG   7          1HH2      ARG   7  -5.183   5.883   3.213
   73   2HH2  ARG   7          2HH2      ARG   7  -6.347   6.869   4.034
   74    H    MET   8           H        MET   8  -4.832   1.563  -1.678
   75    HA   MET   8           HA       MET   8  -6.673  -0.553  -0.908
   76   1HB   MET   8          2HB       MET   8  -5.498  -1.826  -2.722
   77   2HB   MET   8          1HB       MET   8  -6.303  -0.363  -3.265
   78   1HG   MET   8          2HG       MET   8  -4.175   0.802  -3.319
   79   2HG   MET   8          1HG       MET   8  -3.357  -0.636  -2.708
   80   1HE   MET   8          1HE       MET   8  -1.596  -0.863  -4.984
   81   2HE   MET   8          2HE       MET   8  -2.259   0.771  -4.978
   82   3HE   MET   8          3HE       MET   8  -2.246  -0.170  -6.470
   83    H    LYS   9           H        LYS   9  -5.473  -0.185   1.285
   84    HA   LYS   9           HA       LYS   9  -2.888  -1.229   1.673
   85   1HB   LYS   9          2HB       LYS   9  -5.117  -1.088   3.704
   86   2HB   LYS   9          1HB       LYS   9  -3.391  -1.153   4.033
   87   1HG   LYS   9          2HG       LYS   9  -3.139   1.040   2.911
   88   2HG   LYS   9          1HG       LYS   9  -4.891   1.104   2.724
   89   1HD   LYS   9          2HD       LYS   9  -3.432   0.894   5.356
   90   2HD   LYS   9          1HD       LYS   9  -4.095   2.382   4.678
   91   1HE   LYS   9          2HE       LYS   9  -6.337   1.410   4.734
   92   2HE   LYS   9          1HE       LYS   9  -5.678  -0.085   5.396
   93   1HZ   LYS   9          1HZ       LYS   9  -5.616   2.581   6.704
   94   2HZ   LYS   9          2HZ       LYS   9  -4.929   1.171   7.336
   95   3HZ   LYS   9          3HZ       LYS   9  -6.604   1.279   7.141
   96    H    LYS  10           H        LYS  10  -3.368  -3.173   0.220
   97    HA   LYS  10           HA       LYS  10  -4.752  -5.361   1.497
   98   1HB   LYS  10          2HB       LYS  10  -4.002  -6.638  -0.521
   99   2HB   LYS  10          1HB       LYS  10  -4.949  -5.205  -0.890
  100   1HG   LYS  10          2HG       LYS  10  -2.862  -3.982  -1.367
  101   2HG   LYS  10          1HG       LYS  10  -1.955  -5.467  -1.077
  102   1HD   LYS  10          2HD       LYS  10  -4.097  -5.135  -3.175
  103   2HD   LYS  10          1HD       LYS  10  -2.363  -5.027  -3.478
  104   1HE   LYS  10          2HE       LYS  10  -3.809  -7.438  -2.389
  105   2HE   LYS  10          1HE       LYS  10  -3.267  -7.236  -4.054
  106   1HZ   LYS  10          1HZ       LYS  10  -1.513  -8.378  -3.221
  107   2HZ   LYS  10          2HZ       LYS  10  -1.713  -7.794  -1.647
  108   3HZ   LYS  10          3HZ       LYS  10  -0.989  -6.818  -2.823
  109    H    LEU  11           H        LEU  11  -1.420  -4.608   0.537
  110    HA   LEU  11           HA       LEU  11  -0.436  -6.836   2.152
  111   1HB   LEU  11          2HB       LEU  11   0.415  -6.606  -0.136
  112   2HB   LEU  11          1HB       LEU  11   1.007  -5.000   0.241
  113    HG   LEU  11           HG       LEU  11   2.553  -5.997   1.907
  114   1HD1  LEU  11          1HD1      LEU  11   0.975  -8.333   1.358
  115   2HD1  LEU  11          2HD1      LEU  11   2.177  -8.064   2.621
  116   3HD1  LEU  11          3HD1      LEU  11   2.679  -8.653   1.036
  117   1HD2  LEU  11          1HD2      LEU  11   2.957  -7.297  -0.769
  118   2HD2  LEU  11          2HD2      LEU  11   4.167  -6.643   0.335
  119   3HD2  LEU  11          3HD2      LEU  11   3.097  -5.552  -0.546
  120    H    GLY  12           H        GLY  12  -1.099  -3.600   2.491
  121   1HA   GLY  12          2HA       GLY  12  -0.667  -2.127   4.211
  122   2HA   GLY  12          1HA       GLY  12   0.194  -3.425   5.030
  123    HA   CYS  13           HA       CYS  13   2.921  -1.709   0.884
  124   1HB   CYS  13          2HB       CYS  13   3.461   0.510   1.349
  125   2HB   CYS  13          1HB       CYS  13   1.778   0.389   1.836
  126   1HN   NH2  14          H         CYS  13   3.614  -3.887   2.215
  127   2HN   NH2  14          2HN       CYS  13   5.022  -3.666   3.196
  Start of MODEL   13
    1   1H    CYS   1          1HT       CYS   1   0.228   4.319   1.474
    2   2H    CYS   1          2HT       CYS   1   1.083   5.690   1.969
    3   3H    CYS   1          3HT       CYS   1  -0.346   5.255   2.761
    4    HA   CYS   1           HA       CYS   1   1.183   4.473   4.241
    5   1HB   CYS   1          2HB       CYS   1  -0.349   2.688   3.360
    6   2HB   CYS   1          1HB       CYS   1   0.942   2.183   2.279
    7    H    ARG   2           H        ARG   2   2.309   3.901   0.927
    8    HA   ARG   2           HA       ARG   2   4.955   4.722   1.595
    9   1HB   ARG   2          2HB       ARG   2   5.071   2.473   2.520
   10   2HB   ARG   2          1HB       ARG   2   4.517   1.794   0.996
   11   1HG   ARG   2          2HG       ARG   2   6.539   2.505  -0.106
   12   2HG   ARG   2          1HG       ARG   2   7.085   3.320   1.361
   13   1HD   ARG   2          2HD       ARG   2   6.588   0.359   1.076
   14   2HD   ARG   2          1HD       ARG   2   8.171   1.138   1.060
   15    HE   ARG   2           HE       ARG   2   6.881   1.886   3.413
   16   1HH1  ARG   2          1HH1      ARG   2   8.130  -1.005   1.924
   17   2HH1  ARG   2          2HH1      ARG   2   8.506  -1.773   3.431
   18   1HH2  ARG   2          1HH2      ARG   2   7.372   0.884   5.401
   19   2HH2  ARG   2          2HH2      ARG   2   8.073  -0.700   5.407
   20    H    ARG   3           H        ARG   3   3.318   2.589  -0.791
   21    HA   ARG   3           HA       ARG   3   3.525   4.461  -2.900
   22   1HB   ARG   3          2HB       ARG   3   5.276   3.328  -4.248
   23   2HB   ARG   3          1HB       ARG   3   5.906   4.053  -2.773
   24   1HG   ARG   3          2HG       ARG   3   5.839   1.844  -1.690
   25   2HG   ARG   3          1HG       ARG   3   5.294   1.139  -3.212
   26   1HD   ARG   3          2HD       ARG   3   7.358   1.882  -4.295
   27   2HD   ARG   3          1HD       ARG   3   7.903   2.590  -2.775
   28    HE   ARG   3           HE       ARG   3   7.327  -0.104  -2.317
   29   1HH1  ARG   3          1HH1      ARG   3   9.602   1.834  -4.113
   30   2HH1  ARG   3          2HH1      ARG   3  10.867   0.653  -4.031
   31   1HH2  ARG   3          1HH2      ARG   3   8.989  -1.661  -2.203
   32   2HH2  ARG   3          2HH2      ARG   3  10.519  -1.333  -2.947
   33    H    TRP   4           H        TRP   4   1.737   2.399  -1.730
   34    HA   TRP   4           HA       TRP   4   0.535   1.503  -4.090
   35   1HB   TRP   4          2HB       TRP   4   0.818  -1.024  -3.541
   36   2HB   TRP   4          1HB       TRP   4   2.043  -0.189  -4.481
   37    HD1  TRP   4           HD       TRP   4   2.765   0.907  -1.111
   38    HE1  TRP   4           1HE      TRP   4   4.568  -0.547  -0.013
   39    HE3  TRP   4           3HE      TRP   4   2.625  -3.085  -4.283
   40    HZ2  TRP   4           2HZ      TRP   4   5.780  -3.066  -0.425
   41    HZ3  TRP   4           3HZ      TRP   4   4.139  -4.982  -3.866
   42    HH2  TRP   4           HH       TRP   4   5.681  -4.972  -1.971
   43    H    GLN   5           H        GLN   5   0.961   0.331  -0.754
   44    HA   GLN   5           HA       GLN   5  -1.877  -0.157  -0.572
   45   1HB   GLN   5          2HB       GLN   5   0.444  -0.616   1.265
   46   2HB   GLN   5          1HB       GLN   5  -1.207  -0.730   1.863
   47   1HG   GLN   5          2HG       GLN   5  -0.541  -2.920   1.299
   48   2HG   GLN   5          1HG       GLN   5  -1.640  -2.383   0.037
   49   1HE2  GLN   5          1HE2      GLN   5  -1.089  -2.839  -1.909
   50   2HE2  GLN   5          2HE2      GLN   5   0.521  -3.089  -2.489
   51    H    TRP   6           H        TRP   6  -1.636   2.458  -1.091
   52    HA   TRP   6           HA       TRP   6  -1.613   3.966   1.380
   53   1HB   TRP   6          2HB       TRP   6  -2.701   5.583  -0.656
   54   2HB   TRP   6          1HB       TRP   6  -1.062   5.624  -0.022
   55    HD1  TRP   6           HD       TRP   6   0.806   5.175  -1.714
   56    HE1  TRP   6           1HE      TRP   6   0.933   4.262  -4.114
   57    HE3  TRP   6           3HE      TRP   6  -4.068   3.709  -2.304
   58    HZ2  TRP   6           2HZ      TRP   6  -0.790   3.088  -6.008
   59    HZ3  TRP   6           3HZ      TRP   6  -4.740   2.708  -4.445
   60    HH2  TRP   6           HH       TRP   6  -3.136   2.402  -6.258
   61    H    ARG   7           H        ARG   7  -3.927   2.949  -1.045
   62    HA   ARG   7           HA       ARG   7  -6.140   3.591   0.788
   63   1HB   ARG   7          2HB       ARG   7  -6.176   3.215  -2.218
   64   2HB   ARG   7          1HB       ARG   7  -7.574   3.578  -1.221
   65   1HG   ARG   7          2HG       ARG   7  -5.182   5.384  -1.475
   66   2HG   ARG   7          1HG       ARG   7  -6.637   5.524  -2.460
   67   1HD   ARG   7          2HD       ARG   7  -6.903   7.079  -0.711
   68   2HD   ARG   7          1HD       ARG   7  -7.924   5.708  -0.285
   69    HE   ARG   7           HE       ARG   7  -5.385   5.402   0.896
   70   1HH1  ARG   7          1HH1      ARG   7  -8.280   7.323   1.158
   71   2HH1  ARG   7          2HH1      ARG   7  -8.067   7.646   2.846
   72   1HH2  ARG   7          1HH2      ARG   7  -5.099   5.822   3.122
   73   2HH2  ARG   7          2HH2      ARG   7  -6.262   6.792   3.962
   74    H    MET   8           H        MET   8  -4.659   1.258  -1.329
   75    HA   MET   8           HA       MET   8  -6.483  -0.856  -0.463
   76   1HB   MET   8          2HB       MET   8  -5.326  -2.205  -2.213
   77   2HB   MET   8          1HB       MET   8  -6.128  -0.777  -2.842
   78   1HG   MET   8          2HG       MET   8  -3.992   0.383  -2.953
   79   2HG   MET   8          1HG       MET   8  -3.181  -1.031  -2.284
   80   1HE   MET   8          1HE       MET   8  -1.768  -0.224  -4.141
   81   2HE   MET   8          2HE       MET   8  -2.280  -0.060  -5.820
   82   3HE   MET   8          3HE       MET   8  -1.550  -1.566  -5.263
   83    H    LYS   9           H        LYS   9  -5.339  -0.355   1.687
   84    HA   LYS   9           HA       LYS   9  -2.691  -1.263   2.108
   85   1HB   LYS   9          2HB       LYS   9  -4.872  -0.941   4.167
   86   2HB   LYS   9          1HB       LYS   9  -3.142  -1.004   4.469
   87   1HG   LYS   9          2HG       LYS   9  -3.594   1.245   4.606
   88   2HG   LYS   9          1HG       LYS   9  -3.032   1.074   2.949
   89   1HD   LYS   9          2HD       LYS   9  -4.996   2.496   3.036
   90   2HD   LYS   9          1HD       LYS   9  -5.357   0.999   2.175
   91   1HE   LYS   9          2HE       LYS   9  -7.165   1.629   3.705
   92   2HE   LYS   9          1HE       LYS   9  -6.430   0.092   4.157
   93   1HZ   LYS   9          1HZ       LYS   9  -5.216   2.371   5.426
   94   2HZ   LYS   9          2HZ       LYS   9  -5.748   0.913   6.100
   95   3HZ   LYS   9          3HZ       LYS   9  -6.847   2.170   5.830
   96    H    LYS  10           H        LYS  10  -3.539  -3.340   0.765
   97    HA   LYS  10           HA       LYS  10  -4.594  -5.380   2.509
   98   1HB   LYS  10          2HB       LYS  10  -4.379  -6.857   0.541
   99   2HB   LYS  10          1HB       LYS  10  -5.301  -5.402   0.192
  100   1HG   LYS  10          2HG       LYS  10  -3.337  -4.410  -0.866
  101   2HG   LYS  10          1HG       LYS  10  -2.414  -5.873  -0.517
  102   1HD   LYS  10          2HD       LYS  10  -4.009  -7.167  -1.883
  103   2HD   LYS  10          1HD       LYS  10  -4.856  -5.669  -2.276
  104   1HE   LYS  10          2HE       LYS  10  -1.966  -6.248  -2.887
  105   2HE   LYS  10          1HE       LYS  10  -3.288  -6.365  -4.048
  106   1HZ   LYS  10          1HZ       LYS  10  -1.804  -4.101  -3.322
  107   2HZ   LYS  10          2HZ       LYS  10  -3.405  -3.845  -2.841
  108   3HZ   LYS  10          3HZ       LYS  10  -3.055  -4.214  -4.454
  109    H    LEU  11           H        LEU  11  -1.557  -4.679   0.834
  110    HA   LEU  11           HA       LEU  11  -0.206  -6.850   2.201
  111   1HB   LEU  11          2HB       LEU  11   0.269  -6.346  -0.176
  112   2HB   LEU  11          1HB       LEU  11   0.898  -4.782   0.305
  113    HG   LEU  11           HG       LEU  11   2.687  -5.894   1.579
  114   1HD1  LEU  11          1HD1      LEU  11   1.389  -8.399   0.533
  115   2HD1  LEU  11          2HD1      LEU  11   1.671  -7.945   2.214
  116   3HD1  LEU  11          3HD1      LEU  11   3.034  -8.343   1.166
  117   1HD2  LEU  11          1HD2      LEU  11   2.942  -7.221  -1.033
  118   2HD2  LEU  11          2HD2      LEU  11   4.004  -6.058  -0.238
  119   3HD2  LEU  11          3HD2      LEU  11   2.566  -5.499  -1.093
  120    H    GLY  12           H        GLY  12  -0.912  -3.613   2.730
  121   1HA   GLY  12          2HA       GLY  12  -0.387  -2.237   4.506
  122   2HA   GLY  12          1HA       GLY  12   0.602  -3.535   5.157
  123    HA   CYS  13           HA       CYS  13   2.848  -1.474   0.888
  124   1HB   CYS  13          2HB       CYS  13   3.336   0.759   1.414
  125   2HB   CYS  13          1HB       CYS  13   1.675   0.530   1.938
  126   1HN   NH2  14          H         CYS  13   4.132  -3.453   1.520
  127   2HN   NH2  14          2HN       CYS  13   5.267  -3.373   2.822
  Start of MODEL   14
    1   1H    CYS   1          1HT       CYS   1  -0.613   4.869   2.815
    2   2H    CYS   1          2HT       CYS   1   0.383   4.326   1.561
    3   3H    CYS   1          3HT       CYS   1   0.811   5.704   2.444
    4    HA   CYS   1           HA       CYS   1   1.015   4.334   4.455
    5   1HB   CYS   1          2HB       CYS   1  -0.551   2.587   3.571
    6   2HB   CYS   1          1HB       CYS   1   0.728   2.052   2.490
    7    H    ARG   2           H        ARG   2   2.161   3.756   1.153
    8    HA   ARG   2           HA       ARG   2   4.828   4.485   1.880
    9   1HB   ARG   2          2HB       ARG   2   4.891   2.199   2.688
   10   2HB   ARG   2          1HB       ARG   2   4.285   1.606   1.148
   11   1HG   ARG   2          2HG       ARG   2   6.317   2.311   0.038
   12   2HG   ARG   2          1HG       ARG   2   6.920   3.007   1.544
   13   1HD   ARG   2          2HD       ARG   2   6.278   0.093   1.107
   14   2HD   ARG   2          1HD       ARG   2   7.894   0.793   1.059
   15    HE   ARG   2           HE       ARG   2   6.484   0.012   3.367
   16   1HH1  ARG   2          1HH1      ARG   2   8.531   2.581   2.192
   17   2HH1  ARG   2          2HH1      ARG   2   9.133   2.991   3.764
   18   1HH2  ARG   2          1HH2      ARG   2   7.275   0.547   5.436
   19   2HH2  ARG   2          2HH2      ARG   2   8.420   1.834   5.605
   20    H    ARG   3           H        ARG   3   3.194   2.492  -0.626
   21    HA   ARG   3           HA       ARG   3   3.419   4.470  -2.633
   22   1HB   ARG   3          2HB       ARG   3   5.188   3.448  -4.017
   23   2HB   ARG   3          1HB       ARG   3   5.806   4.034  -2.477
   24   1HG   ARG   3          2HG       ARG   3   5.731   1.758  -1.585
   25   2HG   ARG   3          1HG       ARG   3   5.139   1.174  -3.141
   26   1HD   ARG   3          2HD       ARG   3   7.197   1.958  -4.213
   27   2HD   ARG   3          1HD       ARG   3   7.790   2.528  -2.653
   28    HE   ARG   3           HE       ARG   3   7.164  -0.175  -2.384
   29   1HH1  ARG   3          1HH1      ARG   3   9.420   1.828  -4.132
   30   2HH1  ARG   3          2HH1      ARG   3  10.651   0.612  -4.188
   31   1HH2  ARG   3          1HH2      ARG   3   8.779  -1.780  -2.457
   32   2HH2  ARG   3          2HH2      ARG   3  10.287  -1.438  -3.238
   33    H    TRP   4           H        TRP   4   1.607   2.371  -1.602
   34    HA   TRP   4           HA       TRP   4   0.467   1.574  -4.030
   35   1HB   TRP   4          2HB       TRP   4   0.722  -0.967  -3.590
   36   2HB   TRP   4          1HB       TRP   4   2.003  -0.104  -4.421
   37    HD1  TRP   4           HD       TRP   4   2.604   0.858  -1.009
   38    HE1  TRP   4           1HE      TRP   4   4.304  -0.683   0.134
   39    HE3  TRP   4           3HE      TRP   4   2.479  -3.054  -4.284
   40    HZ2  TRP   4           2HZ      TRP   4   5.449  -3.232  -0.284
   41    HZ3  TRP   4           3HZ      TRP   4   3.908  -5.011  -3.843
   42    HH2  TRP   4           HH       TRP   4   5.360  -5.097  -1.881
   43    H    GLN   5           H        GLN   5   0.793   0.324  -0.707
   44    HA   GLN   5           HA       GLN   5  -2.048  -0.161  -0.634
   45   1HB   GLN   5          2HB       GLN   5   0.214  -0.728   1.238
   46   2HB   GLN   5          1HB       GLN   5  -1.447  -0.803   1.812
   47   1HG   GLN   5          2HG       GLN   5  -0.897  -2.995   1.213
   48   2HG   GLN   5          1HG       GLN   5  -1.891  -2.381  -0.100
   49   1HE2  GLN   5          1HE2      GLN   5  -1.249  -2.921  -2.004
   50   2HE2  GLN   5          2HE2      GLN   5   0.383  -3.209  -2.495
   51    H    TRP   6           H        TRP   6  -1.859   2.438  -1.061
   52    HA   TRP   6           HA       TRP   6  -1.897   3.851   1.477
   53   1HB   TRP   6          2HB       TRP   6  -2.904   5.520  -0.590
   54   2HB   TRP   6          1HB       TRP   6  -1.337   5.609   0.202
   55    HD1  TRP   6           HD       TRP   6   0.732   5.162  -1.273
   56    HE1  TRP   6           1HE      TRP   6   1.104   4.370  -3.691
   57    HE3  TRP   6           3HE      TRP   6  -4.067   3.798  -2.447
   58    HZ2  TRP   6           2HZ      TRP   6  -0.423   3.313  -5.815
   59    HZ3  TRP   6           3HZ      TRP   6  -4.518   2.911  -4.694
   60    HH2  TRP   6           HH       TRP   6  -2.734   2.672  -6.341
   61    H    ARG   7           H        ARG   7  -4.109   3.097  -1.159
   62    HA   ARG   7           HA       ARG   7  -6.403   3.597   0.610
   63   1HB   ARG   7          2HB       ARG   7  -6.252   3.340  -2.406
   64   2HB   ARG   7          1HB       ARG   7  -7.739   3.564  -1.495
   65   1HG   ARG   7          2HG       ARG   7  -5.477   5.531  -1.360
   66   2HG   ARG   7          1HG       ARG   7  -6.724   5.609  -2.605
   67   1HD   ARG   7          2HD       ARG   7  -7.403   7.073  -0.870
   68   2HD   ARG   7          1HD       ARG   7  -8.422   5.642  -0.751
   69    HE   ARG   7           HE       ARG   7  -7.614   5.350   1.353
   70   1HH1  ARG   7          1HH1      ARG   7  -5.259   7.168  -0.463
   71   2HH1  ARG   7          2HH1      ARG   7  -4.201   7.393   0.890
   72   1HH2  ARG   7          1HH2      ARG   7  -6.227   5.649   3.140
   73   2HH2  ARG   7          2HH2      ARG   7  -4.751   6.530   2.935
   74    H    MET   8           H        MET   8  -4.934   1.353  -1.655
   75    HA   MET   8           HA       MET   8  -6.746  -0.798  -0.906
   76   1HB   MET   8          2HB       MET   8  -5.522  -2.075  -2.656
   77   2HB   MET   8          1HB       MET   8  -6.263  -0.603  -3.258
   78   1HG   MET   8          2HG       MET   8  -4.105   0.519  -3.193
   79   2HG   MET   8          1HG       MET   8  -3.357  -0.944  -2.552
   80   1HE   MET   8          1HE       MET   8  -1.915   0.112  -4.378
   81   2HE   MET   8          2HE       MET   8  -2.219   0.027  -6.112
   82   3HE   MET   8          3HE       MET   8  -1.532  -1.361  -5.269
   83    H    LYS   9           H        LYS   9  -5.610  -0.303   1.316
   84    HA   LYS   9           HA       LYS   9  -3.030  -1.337   1.810
   85   1HB   LYS   9          2HB       LYS   9  -5.352  -0.828   3.669
   86   2HB   LYS   9          1HB       LYS   9  -3.729  -1.243   4.202
   87   1HG   LYS   9          2HG       LYS   9  -2.835   0.775   3.403
   88   2HG   LYS   9          1HG       LYS   9  -4.290   1.146   2.481
   89   1HD   LYS   9          2HD       LYS   9  -4.187   2.503   4.493
   90   2HD   LYS   9          1HD       LYS   9  -5.541   1.377   4.589
   91   1HE   LYS   9          2HE       LYS   9  -4.343   1.493   6.712
   92   2HE   LYS   9          1HE       LYS   9  -4.207  -0.113   5.994
   93   1HZ   LYS   9          1HZ       LYS   9  -2.081   1.641   5.207
   94   2HZ   LYS   9          2HZ       LYS   9  -2.008   0.078   5.848
   95   3HZ   LYS   9          3HZ       LYS   9  -2.141   1.409   6.882
   96    H    LYS  10           H        LYS  10  -3.672  -3.384   0.437
   97    HA   LYS  10           HA       LYS  10  -4.977  -5.426   2.021
   98   1HB   LYS  10          2HB       LYS  10  -4.629  -6.879   0.075
   99   2HB   LYS  10          1HB       LYS  10  -5.412  -5.372  -0.381
  100   1HG   LYS  10          2HG       LYS  10  -3.329  -4.508  -1.245
  101   2HG   LYS  10          1HG       LYS  10  -2.475  -5.952  -0.700
  102   1HD   LYS  10          2HD       LYS  10  -3.907  -7.310  -2.196
  103   2HD   LYS  10          1HD       LYS  10  -4.645  -5.821  -2.791
  104   1HE   LYS  10          2HE       LYS  10  -1.715  -6.507  -2.953
  105   2HE   LYS  10          1HE       LYS  10  -2.867  -6.654  -4.280
  106   1HZ   LYS  10          1HZ       LYS  10  -1.820  -4.210  -3.005
  107   2HZ   LYS  10          2HZ       LYS  10  -3.292  -4.177  -3.837
  108   3HZ   LYS  10          3HZ       LYS  10  -1.872  -4.614  -4.647
  109    H    LEU  11           H        LEU  11  -1.776  -4.734   0.693
  110    HA   LEU  11           HA       LEU  11  -0.600  -6.939   2.177
  111   1HB   LEU  11          2HB       LEU  11   0.097  -6.518  -0.147
  112   2HB   LEU  11          1HB       LEU  11   0.674  -4.931   0.322
  113    HG   LEU  11           HG       LEU  11   2.346  -5.993   1.800
  114   1HD1  LEU  11          1HD1      LEU  11   2.078  -8.099   2.429
  115   2HD1  LEU  11          2HD1      LEU  11   2.421  -8.606   0.776
  116   3HD1  LEU  11          3HD1      LEU  11   0.758  -8.315   1.280
  117   1HD2  LEU  11          1HD2      LEU  11   3.851  -6.281   0.119
  118   2HD2  LEU  11          2HD2      LEU  11   2.542  -5.549  -0.810
  119   3HD2  LEU  11          3HD2      LEU  11   2.766  -7.299  -0.829
  120    H    GLY  12           H        GLY  12  -1.305  -3.701   2.641
  121   1HA   GLY  12          2HA       GLY  12  -0.872  -2.307   4.428
  122   2HA   GLY  12          1HA       GLY  12   0.054  -3.611   5.158
  123    HA   CYS  13           HA       CYS  13   2.523  -1.552   0.997
  124   1HB   CYS  13          2HB       CYS  13   3.076   0.636   1.608
  125   2HB   CYS  13          1HB       CYS  13   1.406   0.456   2.121
  126   1HN   NH2  14          H         CYS  13   3.868  -3.490   1.413
  127   2HN   NH2  14          2HN       CYS  13   4.777  -3.652   2.874
  Start of MODEL   15
    1   1H    CYS   1          1HT       CYS   1   0.025   4.333   2.164
    2   2H    CYS   1          2HT       CYS   1   1.190   5.519   2.480
    3   3H    CYS   1          3HT       CYS   1  -0.201   5.424   3.438
    4    HA   CYS   1           HA       CYS   1   1.081   4.295   4.849
    5   1HB   CYS   1          2HB       CYS   1  -0.511   2.661   3.761
    6   2HB   CYS   1          1HB       CYS   1   0.828   2.134   2.749
    7    H    ARG   2           H        ARG   2   2.305   3.953   1.548
    8    HA   ARG   2           HA       ARG   2   4.967   4.553   2.375
    9   1HB   ARG   2          2HB       ARG   2   4.982   2.227   3.052
   10   2HB   ARG   2          1HB       ARG   2   4.381   1.729   1.477
   11   1HG   ARG   2          2HG       ARG   2   6.453   2.545   0.443
   12   2HG   ARG   2          1HG       ARG   2   7.056   2.987   2.041
   13   1HD   ARG   2          2HD       ARG   2   6.952   0.662   2.746
   14   2HD   ARG   2          1HD       ARG   2   6.282   0.202   1.180
   15    HE   ARG   2           HE       ARG   2   8.728   1.514   0.772
   16   1HH1  ARG   2          1HH1      ARG   2   7.482  -1.469   2.074
   17   2HH1  ARG   2          2HH1      ARG   2   8.911  -2.375   1.705
   18   1HH2  ARG   2          1HH2      ARG   2  10.611   0.327   0.281
   19   2HH2  ARG   2          2HH2      ARG   2  10.689  -1.354   0.686
   20    H    ARG   3           H        ARG   3   3.401   2.692  -0.265
   21    HA   ARG   3           HA       ARG   3   3.655   4.759  -2.175
   22   1HB   ARG   3          2HB       ARG   3   5.466   3.779  -3.559
   23   2HB   ARG   3          1HB       ARG   3   6.036   4.359  -1.997
   24   1HG   ARG   3          2HG       ARG   3   5.980   2.067  -1.137
   25   2HG   ARG   3          1HG       ARG   3   5.448   1.495  -2.717
   26   1HD   ARG   3          2HD       ARG   3   7.518   2.316  -3.717
   27   2HD   ARG   3          1HD       ARG   3   8.048   2.911  -2.144
   28    HE   ARG   3           HE       ARG   3   7.474   0.180  -1.912
   29   1HH1  ARG   3          1HH1      ARG   3   9.776   2.289  -3.464
   30   2HH1  ARG   3          2HH1      ARG   3  11.052   1.118  -3.449
   31   1HH2  ARG   3          1HH2      ARG   3   9.150  -1.367  -1.890
   32   2HH2  ARG   3          2HH2      ARG   3  10.696  -0.959  -2.557
   33    H    TRP   4           H        TRP   4   1.833   2.613  -1.282
   34    HA   TRP   4           HA       TRP   4   0.759   1.903  -3.763
   35   1HB   TRP   4          2HB       TRP   4   1.027  -0.651  -3.429
   36   2HB   TRP   4          1HB       TRP   4   2.322   0.258  -4.191
   37    HD1  TRP   4           HD       TRP   4   2.841   1.080  -0.733
   38    HE1  TRP   4           1HE      TRP   4   4.521  -0.500   0.387
   39    HE3  TRP   4           3HE      TRP   4   2.794  -2.704  -4.154
   40    HZ2  TRP   4           2HZ      TRP   4   5.683  -3.029  -0.105
   41    HZ3  TRP   4           3HZ      TRP   4   4.218  -4.673  -3.761
   42    HH2  TRP   4           HH       TRP   4   5.629  -4.832  -1.773
   43    H    GLN   5           H        GLN   5   1.024   0.636  -0.447
   44    HA   GLN   5           HA       GLN   5  -1.812   0.065  -0.471
   45   1HB   GLN   5          2HB       GLN   5   0.422  -0.538   1.422
   46   2HB   GLN   5          1HB       GLN   5  -1.246  -0.651   1.967
   47   1HG   GLN   5          2HG       GLN   5  -0.650  -2.818   1.301
   48   2HG   GLN   5          1HG       GLN   5  -1.643  -2.177   0.005
   49   1HE2  GLN   5          1HE2      GLN   5  -0.983  -2.658  -1.916
   50   2HE2  GLN   5          2HE2      GLN   5   0.654  -2.910  -2.399
   51    H    TRP   6           H        TRP   6  -1.454   2.748  -0.764
   52    HA   TRP   6           HA       TRP   6  -1.713   4.002   1.837
   53   1HB   TRP   6          2HB       TRP   6  -2.499   5.851  -0.137
   54   2HB   TRP   6          1HB       TRP   6  -0.955   5.782   0.701
   55    HD1  TRP   6           HD       TRP   6   1.082   5.584  -0.821
   56    HE1  TRP   6           1HE      TRP   6   1.508   4.876  -3.256
   57    HE3  TRP   6           3HE      TRP   6  -3.631   4.010  -2.064
   58    HZ2  TRP   6           2HZ      TRP   6   0.052   3.802  -5.416
   59    HZ3  TRP   6           3HZ      TRP   6  -4.025   3.162  -4.338
   60    HH2  TRP   6           HH       TRP   6  -2.221   3.058  -5.977
   61    H    ARG   7           H        ARG   7  -3.665   2.986  -0.836
   62    HA   ARG   7           HA       ARG   7  -6.094   3.550   0.728
   63   1HB   ARG   7          2HB       ARG   7  -5.894   3.399  -2.290
   64   2HB   ARG   7          1HB       ARG   7  -7.317   3.823  -1.350
   65   1HG   ARG   7          2HG       ARG   7  -4.797   5.434  -1.682
   66   2HG   ARG   7          1HG       ARG   7  -6.413   5.824  -2.267
   67   1HD   ARG   7          2HD       ARG   7  -5.428   5.777   0.575
   68   2HD   ARG   7          1HD       ARG   7  -6.040   7.155  -0.339
   69    HE   ARG   7           HE       ARG   7  -7.569   5.365   1.191
   70   1HH1  ARG   7          1HH1      ARG   7  -7.648   7.010  -1.885
   71   2HH1  ARG   7          2HH1      ARG   7  -9.377   7.028  -1.974
   72   1HH2  ARG   7          1HH2      ARG   7  -9.844   5.388   1.077
   73   2HH2  ARG   7          2HH2      ARG   7 -10.625   6.106  -0.292
   74    H    MET   8           H        MET   8  -4.400   1.492  -1.531
   75    HA   MET   8           HA       MET   8  -6.222  -0.743  -1.154
   76   1HB   MET   8          2HB       MET   8  -3.677  -0.434  -2.762
   77   2HB   MET   8          1HB       MET   8  -4.643  -1.901  -2.715
   78   1HG   MET   8          2HG       MET   8  -5.628   0.770  -3.671
   79   2HG   MET   8          1HG       MET   8  -5.037  -0.523  -4.713
   80   1HE   MET   8          1HE       MET   8  -6.975  -3.087  -4.990
   81   2HE   MET   8          2HE       MET   8  -7.340  -3.351  -3.285
   82   3HE   MET   8          3HE       MET   8  -5.705  -2.907  -3.779
   83    H    LYS   9           H        LYS   9  -5.387  -0.239   1.260
   84    HA   LYS   9           HA       LYS   9  -2.867  -1.278   2.013
   85   1HB   LYS   9          2HB       LYS   9  -5.356  -0.816   3.659
   86   2HB   LYS   9          1HB       LYS   9  -3.763  -1.165   4.314
   87   1HG   LYS   9          2HG       LYS   9  -2.891   0.881   3.618
   88   2HG   LYS   9          1HG       LYS   9  -4.235   1.184   2.521
   89   1HD   LYS   9          2HD       LYS   9  -4.464   2.580   4.479
   90   2HD   LYS   9          1HD       LYS   9  -5.736   1.356   4.492
   91   1HE   LYS   9          2HE       LYS   9  -4.769   1.621   6.711
   92   2HE   LYS   9          1HE       LYS   9  -4.425   0.016   6.067
   93   1HZ   LYS   9          1HZ       LYS   9  -2.501   1.091   7.154
   94   2HZ   LYS   9          2HZ       LYS   9  -2.524   2.293   5.964
   95   3HZ   LYS   9          3HZ       LYS   9  -2.209   0.688   5.536
   96    H    LYS  10           H        LYS  10  -3.610  -3.268   0.464
   97    HA   LYS  10           HA       LYS  10  -4.897  -5.358   1.985
   98   1HB   LYS  10          2HB       LYS  10  -4.488  -6.749  -0.020
   99   2HB   LYS  10          1HB       LYS  10  -5.338  -5.257  -0.401
  100   1HG   LYS  10          2HG       LYS  10  -3.287  -4.263  -1.217
  101   2HG   LYS  10          1HG       LYS  10  -2.386  -5.711  -0.769
  102   1HD   LYS  10          2HD       LYS  10  -3.765  -7.018  -2.343
  103   2HD   LYS  10          1HD       LYS  10  -4.583  -5.530  -2.828
  104   1HE   LYS  10          2HE       LYS  10  -2.474  -4.602  -3.601
  105   2HE   LYS  10          1HE       LYS  10  -1.625  -6.050  -3.062
  106   1HZ   LYS  10          1HZ       LYS  10  -2.430  -7.277  -4.788
  107   2HZ   LYS  10          2HZ       LYS  10  -2.368  -5.764  -5.540
  108   3HZ   LYS  10          3HZ       LYS  10  -3.842  -6.357  -4.956
  109    H    LEU  11           H        LEU  11  -1.694  -4.638   0.669
  110    HA   LEU  11           HA       LEU  11  -0.504  -6.893   2.036
  111   1HB   LEU  11          2HB       LEU  11   0.240  -6.262  -0.227
  112   2HB   LEU  11          1HB       LEU  11   0.777  -4.713   0.395
  113    HG   LEU  11           HG       LEU  11   2.422  -5.882   1.829
  114   1HD1  LEU  11          1HD1      LEU  11   1.442  -8.332   0.375
  115   2HD1  LEU  11          2HD1      LEU  11   1.322  -8.007   2.104
  116   3HD1  LEU  11          3HD1      LEU  11   2.902  -8.257   1.361
  117   1HD2  LEU  11          1HD2      LEU  11   3.960  -5.850   0.190
  118   2HD2  LEU  11          2HD2      LEU  11   2.621  -5.260  -0.795
  119   3HD2  LEU  11          3HD2      LEU  11   3.052  -6.969  -0.827
  120    H    GLY  12           H        GLY  12  -1.088  -3.592   2.569
  121   1HA   GLY  12          2HA       GLY  12  -0.783  -2.350   4.505
  122   2HA   GLY  12          1HA       GLY  12   0.110  -3.700   5.192
  123    HA   CYS  13           HA       CYS  13   2.723  -1.402   1.252
  124   1HB   CYS  13          2HB       CYS  13   3.260   0.757   2.010
  125   2HB   CYS  13          1HB       CYS  13   1.554   0.553   2.370
  126   1HN   NH2  14          H         CYS  13   4.079  -3.327   1.625
  127   2HN   NH2  14          2HN       CYS  13   4.944  -3.548   3.106
  Start of MODEL   16
    1   1H    CYS   1          1HT       CYS   1   0.079   4.257   2.068
    2   2H    CYS   1          2HT       CYS   1   0.648   5.594   2.935
    3   3H    CYS   1          3HT       CYS   1  -0.795   4.839   3.396
    4    HA   CYS   1           HA       CYS   1   0.737   4.067   4.938
    5   1HB   CYS   1          2HB       CYS   1  -0.658   2.337   3.773
    6   2HB   CYS   1          1HB       CYS   1   0.709   2.013   2.715
    7    H    ARG   2           H        ARG   2   2.081   3.922   1.662
    8    HA   ARG   2           HA       ARG   2   4.642   4.782   2.574
    9   1HB   ARG   2          2HB       ARG   2   4.833   2.434   3.214
   10   2HB   ARG   2          1HB       ARG   2   4.400   1.937   1.584
   11   1HG   ARG   2          2HG       ARG   2   6.436   3.014   0.730
   12   2HG   ARG   2          1HG       ARG   2   6.875   3.452   2.381
   13   1HD   ARG   2          2HD       ARG   2   6.953   1.089   2.993
   14   2HD   ARG   2          1HD       ARG   2   6.493   0.643   1.350
   15    HE   ARG   2           HE       ARG   2   8.795   2.235   1.233
   16   1HH1  ARG   2          1HH1      ARG   2   7.800  -0.925   2.322
   17   2HH1  ARG   2          2HH1      ARG   2   9.357  -1.640   2.073
   18   1HH2  ARG   2          1HH2      ARG   2  10.845   1.299   0.903
   19   2HH2  ARG   2          2HH2      ARG   2  11.088  -0.377   1.267
   20    H    ARG   3           H        ARG   3   3.358   2.802  -0.135
   21    HA   ARG   3           HA       ARG   3   3.406   4.912  -1.998
   22   1HB   ARG   3          2HB       ARG   3   5.367   4.139  -3.365
   23   2HB   ARG   3          1HB       ARG   3   5.780   4.897  -1.835
   24   1HG   ARG   3          2HG       ARG   3   7.211   3.086  -1.919
   25   2HG   ARG   3          1HG       ARG   3   5.887   2.488  -0.921
   26   1HD   ARG   3          2HD       ARG   3   4.918   1.387  -2.888
   27   2HD   ARG   3          1HD       ARG   3   6.259   1.974  -3.870
   28    HE   ARG   3           HE       ARG   3   7.249   0.510  -1.669
   29   1HH1  ARG   3          1HH1      ARG   3   5.590   0.073  -4.702
   30   2HH1  ARG   3          2HH1      ARG   3   6.190  -1.533  -4.947
   31   1HH2  ARG   3          1HH2      ARG   3   8.046  -1.605  -1.983
   32   2HH2  ARG   3          2HH2      ARG   3   7.584  -2.488  -3.400
   33    H    TRP   4           H        TRP   4   1.838   2.569  -1.193
   34    HA   TRP   4           HA       TRP   4   0.944   1.773  -3.734
   35   1HB   TRP   4          2HB       TRP   4   1.410  -0.746  -3.340
   36   2HB   TRP   4          1HB       TRP   4   2.663   0.263  -4.044
   37    HD1  TRP   4           HD       TRP   4   3.018   1.246  -0.650
   38    HE1  TRP   4           1HE      TRP   4   4.720  -0.187   0.621
   39    HE3  TRP   4           3HE      TRP   4   3.248  -2.742  -3.827
   40    HZ2  TRP   4           2HZ      TRP   4   5.997  -2.688   0.331
   41    HZ3  TRP   4           3HZ      TRP   4   4.737  -4.620  -3.259
   42    HH2  TRP   4           HH       TRP   4   6.081  -4.593  -1.220
   43    H    GLN   5           H        GLN   5   1.115   0.624  -0.373
   44    HA   GLN   5           HA       GLN   5  -1.683  -0.153  -0.553
   45   1HB   GLN   5          2HB       GLN   5   0.503  -0.668   1.414
   46   2HB   GLN   5          1HB       GLN   5  -1.173  -0.842   1.918
   47   1HG   GLN   5          2HG       GLN   5  -0.430  -2.982   1.256
   48   2HG   GLN   5          1HG       GLN   5  -1.489  -2.389  -0.012
   49   1HE2  GLN   5          1HE2      GLN   5  -0.862  -2.769  -1.953
   50   2HE2  GLN   5          2HE2      GLN   5   0.775  -2.944  -2.484
   51    H    TRP   6           H        TRP   6  -1.396   2.575  -0.785
   52    HA   TRP   6           HA       TRP   6  -1.795   3.820   1.785
   53   1HB   TRP   6          2HB       TRP   6  -2.782   5.518  -0.269
   54   2HB   TRP   6          1HB       TRP   6  -1.283   5.673   0.638
   55    HD1  TRP   6           HD       TRP   6   0.873   5.562  -0.742
   56    HE1  TRP   6           1HE      TRP   6   1.480   4.878  -3.147
   57    HE3  TRP   6           3HE      TRP   6  -3.644   3.666  -2.214
   58    HZ2  TRP   6           2HZ      TRP   6   0.215   3.696  -5.375
   59    HZ3  TRP   6           3HZ      TRP   6  -3.860   2.782  -4.501
   60    HH2  TRP   6           HH       TRP   6  -1.970   2.796  -6.047
   61    H    ARG   7           H        ARG   7  -3.753   2.957  -0.994
   62    HA   ARG   7           HA       ARG   7  -6.205   3.306   0.587
   63   1HB   ARG   7          2HB       ARG   7  -5.777   3.077  -2.403
   64   2HB   ARG   7          1HB       ARG   7  -7.351   3.171  -1.632
   65   1HG   ARG   7          2HG       ARG   7  -5.269   5.310  -1.320
   66   2HG   ARG   7          1HG       ARG   7  -6.446   5.304  -2.632
   67   1HD   ARG   7          2HD       ARG   7  -7.362   6.684  -0.951
   68   2HD   ARG   7          1HD       ARG   7  -8.236   5.157  -0.852
   69    HE   ARG   7           HE       ARG   7  -7.482   4.957   1.282
   70   1HH1  ARG   7          1HH1      ARG   7  -5.286   7.041  -0.448
   71   2HH1  ARG   7          2HH1      ARG   7  -4.319   7.391   0.946
   72   1HH2  ARG   7          1HH2      ARG   7  -6.219   5.418   3.120
   73   2HH2  ARG   7          2HH2      ARG   7  -4.849   6.469   2.974
   74    H    MET   8           H        MET   8  -4.488   1.182  -1.625
   75    HA   MET   8           HA       MET   8  -6.184  -1.099  -1.070
   76   1HB   MET   8          2HB       MET   8  -3.678  -0.749  -2.726
   77   2HB   MET   8          1HB       MET   8  -4.530  -2.275  -2.565
   78   1HG   MET   8          2HG       MET   8  -6.502  -1.307  -3.582
   79   2HG   MET   8          1HG       MET   8  -5.696   0.256  -3.697
   80   1HE   MET   8          1HE       MET   8  -3.190   0.048  -6.335
   81   2HE   MET   8          2HE       MET   8  -2.534  -0.972  -5.055
   82   3HE   MET   8          3HE       MET   8  -3.438   0.485  -4.644
   83    H    LYS   9           H        LYS   9  -5.480  -0.610   1.313
   84    HA   LYS   9           HA       LYS   9  -2.897  -1.412   2.155
   85   1HB   LYS   9          2HB       LYS   9  -5.403  -1.337   3.829
   86   2HB   LYS   9          1HB       LYS   9  -3.742  -1.216   4.391
   87   1HG   LYS   9          2HG       LYS   9  -3.528   0.928   3.176
   88   2HG   LYS   9          1HG       LYS   9  -5.233   0.809   2.737
   89   1HD   LYS   9          2HD       LYS   9  -5.804   0.733   5.147
   90   2HD   LYS   9          1HD       LYS   9  -4.098   0.978   5.526
   91   1HE   LYS   9          2HE       LYS   9  -5.295   3.080   5.660
   92   2HE   LYS   9          1HE       LYS   9  -4.154   3.115   4.316
   93   1HZ   LYS   9          1HZ       LYS   9  -6.262   2.295   3.011
   94   2HZ   LYS   9          2HZ       LYS   9  -5.998   3.939   3.302
   95   3HZ   LYS   9          3HZ       LYS   9  -7.080   3.074   4.271
   96    H    LYS  10           H        LYS  10  -3.606  -3.466   0.541
   97    HA   LYS  10           HA       LYS  10  -4.678  -5.624   2.125
   98   1HB   LYS  10          2HB       LYS  10  -4.332  -6.995   0.116
   99   2HB   LYS  10          1HB       LYS  10  -5.225  -5.526  -0.251
  100   1HG   LYS  10          2HG       LYS  10  -3.193  -4.502  -1.128
  101   2HG   LYS  10          1HG       LYS  10  -2.289  -5.969  -0.749
  102   1HD   LYS  10          2HD       LYS  10  -3.794  -7.228  -2.265
  103   2HD   LYS  10          1HD       LYS  10  -4.567  -5.704  -2.705
  104   1HE   LYS  10          2HE       LYS  10  -2.463  -4.856  -3.564
  105   2HE   LYS  10          1HE       LYS  10  -1.643  -6.333  -3.058
  106   1HZ   LYS  10          1HZ       LYS  10  -2.040  -6.749  -5.263
  107   2HZ   LYS  10          2HZ       LYS  10  -3.513  -5.918  -5.287
  108   3HZ   LYS  10          3HZ       LYS  10  -3.417  -7.448  -4.570
  109    H    LEU  11           H        LEU  11  -1.580  -4.752   0.646
  110    HA   LEU  11           HA       LEU  11  -0.225  -6.935   1.974
  111   1HB   LEU  11          2HB       LEU  11   0.362  -6.250  -0.338
  112   2HB   LEU  11          1HB       LEU  11   0.918  -4.711   0.291
  113    HG   LEU  11           HG       LEU  11   2.652  -5.886   1.600
  114   1HD1  LEU  11          1HD1      LEU  11   2.095  -8.025   2.067
  115   2HD1  LEU  11          2HD1      LEU  11   2.975  -8.340   0.572
  116   3HD1  LEU  11          3HD1      LEU  11   1.215  -8.242   0.554
  117   1HD2  LEU  11          1HD2      LEU  11   2.613  -5.349  -1.107
  118   2HD2  LEU  11          2HD2      LEU  11   3.248  -6.991  -1.016
  119   3HD2  LEU  11          3HD2      LEU  11   4.041  -5.689  -0.130
  120    H    GLY  12           H        GLY  12  -1.002  -3.704   2.576
  121   1HA   GLY  12          2HA       GLY  12  -0.651  -2.408   4.451
  122   2HA   GLY  12          1HA       GLY  12   0.275  -3.733   5.140
  123    HA   CYS  13           HA       CYS  13   2.904  -1.480   1.192
  124   1HB   CYS  13          2HB       CYS  13   3.339   0.723   1.885
  125   2HB   CYS  13          1HB       CYS  13   1.638   0.466   2.238
  126   1HN   NH2  14          H         CYS  13   4.219  -3.424   1.735
  127   2HN   NH2  14          2HN       CYS  13   5.132  -3.503   3.202
  Start of MODEL   17
    1   1H    CYS   1          1HT       CYS   1   0.157   3.843   1.559
    2   2H    CYS   1          2HT       CYS   1   0.773   5.416   1.484
    3   3H    CYS   1          3HT       CYS   1  -0.576   5.081   2.449
    4    HA   CYS   1           HA       CYS   1   1.021   5.121   4.043
    5   1HB   CYS   1          2HB       CYS   1   0.027   3.014   4.342
    6   2HB   CYS   1          1HB       CYS   1   0.809   2.342   2.914
    7    H    ARG   2           H        ARG   2   2.386   3.408   1.231
    8    HA   ARG   2           HA       ARG   2   4.938   4.736   1.781
    9   1HB   ARG   2          2HB       ARG   2   5.115   2.525   2.785
   10   2HB   ARG   2          1HB       ARG   2   4.604   1.775   1.279
   11   1HG   ARG   2          2HG       ARG   2   6.622   2.561   0.180
   12   2HG   ARG   2          1HG       ARG   2   7.127   3.369   1.664
   13   1HD   ARG   2          2HD       ARG   2   7.202   1.208   2.811
   14   2HD   ARG   2          1HD       ARG   2   6.700   0.403   1.325
   15    HE   ARG   2           HE       ARG   2   8.882   0.426   0.697
   16   1HH1  ARG   2          1HH1      ARG   2   8.373   3.093   2.888
   17   2HH1  ARG   2          2HH1      ARG   2  10.026   3.607   2.846
   18   1HH2  ARG   2          1HH2      ARG   2  11.056   1.097   0.642
   19   2HH2  ARG   2          2HH2      ARG   2  11.550   2.474   1.569
   20    H    ARG   3           H        ARG   3   3.402   2.463  -0.543
   21    HA   ARG   3           HA       ARG   3   3.645   4.281  -2.717
   22   1HB   ARG   3          2HB       ARG   3   5.408   3.044  -3.979
   23   2HB   ARG   3          1HB       ARG   3   6.009   3.874  -2.548
   24   1HG   ARG   3          2HG       ARG   3   6.006   1.792  -1.307
   25   2HG   ARG   3          1HG       ARG   3   5.340   0.943  -2.702
   26   1HD   ARG   3          2HD       ARG   3   7.342   1.442  -3.985
   27   2HD   ARG   3          1HD       ARG   3   8.002   2.356  -2.627
   28    HE   ARG   3           HE       ARG   3   7.416  -0.207  -1.710
   29   1HH1  ARG   3          1HH1      ARG   3   9.563   1.331  -3.985
   30   2HH1  ARG   3          2HH1      ARG   3  10.803   0.133  -3.824
   31   1HH2  ARG   3          1HH2      ARG   3   9.044  -1.790  -1.494
   32   2HH2  ARG   3          2HH2      ARG   3  10.507  -1.643  -2.408
   33    H    TRP   4           H        TRP   4   1.790   2.295  -1.538
   34    HA   TRP   4           HA       TRP   4   0.686   1.318  -3.913
   35   1HB   TRP   4          2HB       TRP   4   0.923  -1.190  -3.243
   36   2HB   TRP   4          1HB       TRP   4   2.190  -0.401  -4.167
   37    HD1  TRP   4           HD       TRP   4   2.697   0.793  -0.762
   38    HE1  TRP   4           1HE      TRP   4   4.472  -0.599   0.456
   39    HE3  TRP   4           3HE      TRP   4   2.867  -3.223  -3.904
   40    HZ2  TRP   4           2HZ      TRP   4   5.779  -3.081   0.139
   41    HZ3  TRP   4           3HZ      TRP   4   4.409  -5.070  -3.379
   42    HH2  TRP   4           HH       TRP   4   5.832  -5.001  -1.394
   43    H    GLN   5           H        GLN   5   0.942   0.246  -0.519
   44    HA   GLN   5           HA       GLN   5  -1.914  -0.188  -0.471
   45   1HB   GLN   5          2HB       GLN   5   0.297  -0.735   1.473
   46   2HB   GLN   5          1HB       GLN   5  -1.390  -0.854   1.957
   47   1HG   GLN   5          2HG       GLN   5  -0.709  -3.028   1.363
   48   2HG   GLN   5          1HG       GLN   5  -1.711  -2.437   0.052
   49   1HE2  GLN   5          1HE2      GLN   5  -1.011  -2.808  -1.892
   50   2HE2  GLN   5          2HE2      GLN   5   0.635  -3.054  -2.353
   51    H    TRP   6           H        TRP   6  -1.629   2.417  -0.918
   52    HA   TRP   6           HA       TRP   6  -1.737   3.864   1.602
   53   1HB   TRP   6          2HB       TRP   6  -2.632   5.530  -0.510
   54   2HB   TRP   6          1HB       TRP   6  -1.082   5.580   0.321
   55    HD1  TRP   6           HD       TRP   6   0.996   5.104  -1.112
   56    HE1  TRP   6           1HE      TRP   6   1.409   4.240  -3.501
   57    HE3  TRP   6           3HE      TRP   6  -3.783   3.734  -2.323
   58    HZ2  TRP   6           2HZ      TRP   6  -0.089   3.126  -5.616
   59    HZ3  TRP   6           3HZ      TRP   6  -4.206   2.778  -4.551
   60    HH2  TRP   6           HH       TRP   6  -2.395   2.479  -6.162
   61    H    ARG   7           H        ARG   7  -3.842   2.919  -1.036
   62    HA   ARG   7           HA       ARG   7  -6.207   3.514   0.618
   63   1HB   ARG   7          2HB       ARG   7  -6.015   3.228  -2.394
   64   2HB   ARG   7          1HB       ARG   7  -7.477   3.586  -1.490
   65   1HG   ARG   7          2HG       ARG   7  -5.057   5.371  -1.518
   66   2HG   ARG   7          1HG       ARG   7  -6.420   5.542  -2.623
   67   1HD   ARG   7          2HD       ARG   7  -6.816   7.069  -0.872
   68   2HD   ARG   7          1HD       ARG   7  -7.890   5.706  -0.571
   69    HE   ARG   7           HE       ARG   7  -5.480   5.327   0.829
   70   1HH1  ARG   7          1HH1      ARG   7  -8.327   7.331   0.854
   71   2HH1  ARG   7          2HH1      ARG   7  -8.268   7.618   2.561
   72   1HH2  ARG   7          1HH2      ARG   7  -5.392   5.696   3.077
   73   2HH2  ARG   7          2HH2      ARG   7  -6.598   6.690   3.825
   74    H    MET   8           H        MET   8  -4.701   1.301  -1.656
   75    HA   MET   8           HA       MET   8  -6.527  -0.866  -0.992
   76   1HB   MET   8          2HB       MET   8  -5.180  -2.122  -2.693
   77   2HB   MET   8          1HB       MET   8  -5.955  -0.675  -3.319
   78   1HG   MET   8          2HG       MET   8  -3.880   0.530  -3.246
   79   2HG   MET   8          1HG       MET   8  -3.079  -0.821  -2.447
   80   1HE   MET   8          1HE       MET   8  -4.450  -0.664  -6.824
   81   2HE   MET   8          2HE       MET   8  -4.961   0.398  -5.513
   82   3HE   MET   8          3HE       MET   8  -5.614  -1.237  -5.630
   83    H    LYS   9           H        LYS   9  -5.558  -0.505   1.300
   84    HA   LYS   9           HA       LYS   9  -2.955  -1.493   1.851
   85   1HB   LYS   9          2HB       LYS   9  -5.267  -1.264   3.774
   86   2HB   LYS   9          1HB       LYS   9  -3.551  -1.269   4.164
   87   1HG   LYS   9          2HG       LYS   9  -3.288   0.867   2.978
   88   2HG   LYS   9          1HG       LYS   9  -5.016   0.871   2.635
   89   1HD   LYS   9          2HD       LYS   9  -3.816   0.831   5.401
   90   2HD   LYS   9          1HD       LYS   9  -4.399   2.278   4.578
   91   1HE   LYS   9          2HE       LYS   9  -6.640   1.294   4.449
   92   2HE   LYS   9          1HE       LYS   9  -6.052  -0.147   5.280
   93   1HZ   LYS   9          1HZ       LYS   9  -7.041   1.146   6.931
   94   2HZ   LYS   9          2HZ       LYS   9  -6.371   2.588   6.356
   95   3HZ   LYS   9          3HZ       LYS   9  -5.387   1.446   7.122
   96    H    LYS  10           H        LYS  10  -3.707  -3.468   0.338
   97    HA   LYS  10           HA       LYS  10  -4.970  -5.580   1.839
   98   1HB   LYS  10          2HB       LYS  10  -4.555  -6.944  -0.192
   99   2HB   LYS  10          1HB       LYS  10  -5.451  -5.467  -0.520
  100   1HG   LYS  10          2HG       LYS  10  -3.385  -4.406  -1.306
  101   2HG   LYS  10          1HG       LYS  10  -2.515  -5.912  -1.013
  102   1HD   LYS  10          2HD       LYS  10  -3.989  -7.053  -2.619
  103   2HD   LYS  10          1HD       LYS  10  -4.807  -5.521  -2.935
  104   1HE   LYS  10          2HE       LYS  10  -1.870  -6.023  -3.356
  105   2HE   LYS  10          1HE       LYS  10  -3.088  -6.093  -4.630
  106   1HZ   LYS  10          1HZ       LYS  10  -3.001  -3.901  -4.843
  107   2HZ   LYS  10          2HZ       LYS  10  -1.704  -3.869  -3.759
  108   3HZ   LYS  10          3HZ       LYS  10  -3.283  -3.658  -3.193
  109    H    LEU  11           H        LEU  11  -1.754  -4.980   0.439
  110    HA   LEU  11           HA       LEU  11  -0.617  -7.253   1.798
  111   1HB   LEU  11          2HB       LEU  11   0.203  -6.566  -0.417
  112   2HB   LEU  11          1HB       LEU  11   0.727  -5.035   0.259
  113    HG   LEU  11           HG       LEU  11   2.333  -6.233   1.699
  114   1HD1  LEU  11          1HD1      LEU  11   1.385  -8.666   0.196
  115   2HD1  LEU  11          2HD1      LEU  11   1.193  -8.352   1.921
  116   3HD1  LEU  11          3HD1      LEU  11   2.802  -8.605   1.243
  117   1HD2  LEU  11          1HD2      LEU  11   3.576  -7.289  -0.451
  118   2HD2  LEU  11          2HD2      LEU  11   3.537  -5.567  -0.081
  119   3HD2  LEU  11          3HD2      LEU  11   2.395  -6.245  -1.241
  120    H    GLY  12           H        GLY  12  -1.094  -3.931   2.367
  121   1HA   GLY  12          2HA       GLY  12  -0.923  -2.825   4.407
  122   2HA   GLY  12          1HA       GLY  12   0.013  -4.173   5.034
  123    HA   CYS  13           HA       CYS  13   2.658  -1.485   1.352
  124   1HB   CYS  13          2HB       CYS  13   3.078   0.644   2.436
  125   2HB   CYS  13          1HB       CYS  13   1.352   0.355   2.315
  126   1HN   NH2  14          H         CYS  13   3.938  -3.519   1.900
  127   2HN   NH2  14          2HN       CYS  13   4.939  -3.549   3.310
  Start of MODEL   18
    1   1H    CYS   1          1HT       CYS   1   0.958   4.797   2.160
    2   2H    CYS   1          2HT       CYS   1   0.486   5.591   3.576
    3   3H    CYS   1          3HT       CYS   1  -0.484   4.364   2.931
    4    HA   CYS   1           HA       CYS   1   1.103   3.906   4.939
    5   1HB   CYS   1          2HB       CYS   1  -0.447   2.354   3.701
    6   2HB   CYS   1          1HB       CYS   1   0.880   1.998   2.602
    7    H    ARG   2           H        ARG   2   2.304   3.854   1.603
    8    HA   ARG   2           HA       ARG   2   4.946   4.525   2.437
    9   1HB   ARG   2          2HB       ARG   2   5.001   2.138   2.985
   10   2HB   ARG   2          1HB       ARG   2   4.508   1.741   1.345
   11   1HG   ARG   2          2HG       ARG   2   6.583   2.685   0.482
   12   2HG   ARG   2          1HG       ARG   2   7.075   3.109   2.123
   13   1HD   ARG   2          2HD       ARG   2   7.037   0.742   2.744
   14   2HD   ARG   2          1HD       ARG   2   6.546   0.319   1.104
   15    HE   ARG   2           HE       ARG   2   8.745   0.392   0.538
   16   1HH1  ARG   2          1HH1      ARG   2   8.273   2.501   3.274
   17   2HH1  ARG   2          2HH1      ARG   2   9.944   2.941   3.384
   18   1HH2  ARG   2          1HH2      ARG   2  10.944   0.965   0.679
   19   2HH2  ARG   2          2HH2      ARG   2  11.462   2.069   1.911
   20    H    ARG   3           H        ARG   3   3.520   2.679  -0.286
   21    HA   ARG   3           HA       ARG   3   3.530   4.842  -2.079
   22   1HB   ARG   3          2HB       ARG   3   5.432   4.022  -3.550
   23   2HB   ARG   3          1HB       ARG   3   5.880   4.844  -2.065
   24   1HG   ARG   3          2HG       ARG   3   7.340   3.017  -2.251
   25   2HG   ARG   3          1HG       ARG   3   6.159   2.560  -1.025
   26   1HD   ARG   3          2HD       ARG   3   4.928   1.269  -2.714
   27   2HD   ARG   3          1HD       ARG   3   6.137   1.710  -3.920
   28    HE   ARG   3           HE       ARG   3   6.323  -0.398  -2.065
   29   1HH1  ARG   3          1HH1      ARG   3   8.270   2.129  -3.480
   30   2HH1  ARG   3          2HH1      ARG   3   9.759   1.270  -3.270
   31   1HH2  ARG   3          1HH2      ARG   3   8.279  -1.530  -1.791
   32   2HH2  ARG   3          2HH2      ARG   3   9.765  -0.808  -2.313
   33    H    TRP   4           H        TRP   4   1.894   2.593  -1.325
   34    HA   TRP   4           HA       TRP   4   0.929   1.858  -3.845
   35   1HB   TRP   4          2HB       TRP   4   1.326  -0.678  -3.536
   36   2HB   TRP   4          1HB       TRP   4   2.600   0.308  -4.232
   37    HD1  TRP   4           HD       TRP   4   3.007   1.149  -0.790
   38    HE1  TRP   4           1HE      TRP   4   4.701  -0.371   0.389
   39    HE3  TRP   4           3HE      TRP   4   3.130  -2.685  -4.154
   40    HZ2  TRP   4           2HZ      TRP   4   5.934  -2.878  -0.036
   41    HZ3  TRP   4           3HZ      TRP   4   4.593  -4.613  -3.698
   42    HH2  TRP   4           HH       TRP   4   5.962  -4.707  -1.677
   43    H    GLN   5           H        GLN   5   1.159   0.621  -0.518
   44    HA   GLN   5           HA       GLN   5  -1.661  -0.078  -0.642
   45   1HB   GLN   5          2HB       GLN   5   0.560  -0.724   1.246
   46   2HB   GLN   5          1HB       GLN   5  -1.105  -0.870   1.788
   47   1HG   GLN   5          2HG       GLN   5  -0.463  -3.004   1.033
   48   2HG   GLN   5          1HG       GLN   5  -1.512  -2.331  -0.203
   49   1HE2  GLN   5          1HE2      GLN   5  -0.908  -2.678  -2.163
   50   2HE2  GLN   5          2HE2      GLN   5   0.716  -2.887  -2.712
   51    H    TRP   6           H        TRP   6  -1.333   2.657  -0.779
   52    HA   TRP   6           HA       TRP   6  -1.674   3.775   1.867
   53   1HB   TRP   6          2HB       TRP   6  -2.615   5.590  -0.123
   54   2HB   TRP   6          1HB       TRP   6  -1.146   5.694   0.835
   55    HD1  TRP   6           HD       TRP   6   1.067   5.584  -0.467
   56    HE1  TRP   6           1HE      TRP   6   1.736   5.027  -2.889
   57    HE3  TRP   6           3HE      TRP   6  -3.444   3.903  -2.194
   58    HZ2  TRP   6           2HZ      TRP   6   0.515   4.013  -5.224
   59    HZ3  TRP   6           3HZ      TRP   6  -3.608   3.162  -4.535
   60    HH2  TRP   6           HH       TRP   6  -1.670   3.215  -6.017
   61    H    ARG   7           H        ARG   7  -3.645   3.206  -0.990
   62    HA   ARG   7           HA       ARG   7  -6.095   3.480   0.604
   63   1HB   ARG   7          2HB       ARG   7  -5.697   3.365  -2.397
   64   2HB   ARG   7          1HB       ARG   7  -7.246   3.539  -1.590
   65   1HG   ARG   7          2HG       ARG   7  -5.000   5.519  -1.316
   66   2HG   ARG   7          1HG       ARG   7  -6.277   5.647  -2.522
   67   1HD   ARG   7          2HD       ARG   7  -6.981   7.010  -0.745
   68   2HD   ARG   7          1HD       ARG   7  -7.912   5.524  -0.574
   69    HE   ARG   7           HE       ARG   7  -6.952   5.252   1.469
   70   1HH1  ARG   7          1HH1      ARG   7  -4.860   7.272  -0.455
   71   2HH1  ARG   7          2HH1      ARG   7  -3.739   7.560   0.834
   72   1HH2  ARG   7          1HH2      ARG   7  -5.484   5.637   3.174
   73   2HH2  ARG   7          2HH2      ARG   7  -4.094   6.633   2.895
   74    H    MET   8           H        MET   8  -4.449   1.450  -1.757
   75    HA   MET   8           HA       MET   8  -6.183  -0.821  -1.315
   76   1HB   MET   8          2HB       MET   8  -3.650  -0.473  -2.933
   77   2HB   MET   8          1HB       MET   8  -4.578  -1.963  -2.870
   78   1HG   MET   8          2HG       MET   8  -5.623   0.680  -3.848
   79   2HG   MET   8          1HG       MET   8  -5.027  -0.620  -4.878
   80   1HE   MET   8          1HE       MET   8  -5.656  -2.999  -3.947
   81   2HE   MET   8          2HE       MET   8  -6.953  -3.198  -5.125
   82   3HE   MET   8          3HE       MET   8  -7.272  -3.462  -3.411
   83    H    LYS   9           H        LYS   9  -5.483  -0.451   1.086
   84    HA   LYS   9           HA       LYS   9  -2.924  -1.362   1.900
   85   1HB   LYS   9          2HB       LYS   9  -5.444  -1.212   3.553
   86   2HB   LYS   9          1HB       LYS   9  -3.790  -1.231   4.148
   87   1HG   LYS   9          2HG       LYS   9  -3.387   0.934   3.057
   88   2HG   LYS   9          1HG       LYS   9  -5.064   0.951   2.509
   89   1HD   LYS   9          2HD       LYS   9  -4.193   0.841   5.395
   90   2HD   LYS   9          1HD       LYS   9  -4.690   2.306   4.547
   91   1HE   LYS   9          2HE       LYS   9  -6.390  -0.143   5.011
   92   2HE   LYS   9          1HE       LYS   9  -6.521   1.387   5.876
   93   1HZ   LYS   9          1HZ       LYS   9  -7.501   2.405   4.116
   94   2HZ   LYS   9          2HZ       LYS   9  -8.035   0.829   3.816
   95   3HZ   LYS   9          3HZ       LYS   9  -6.716   1.452   2.959
   96    H    LYS  10           H        LYS  10  -3.663  -3.315   0.225
   97    HA   LYS  10           HA       LYS  10  -4.848  -5.508   1.665
   98   1HB   LYS  10          2HB       LYS  10  -4.362  -6.796  -0.407
   99   2HB   LYS  10          1HB       LYS  10  -5.305  -5.343  -0.704
  100   1HG   LYS  10          2HG       LYS  10  -3.277  -4.183  -1.439
  101   2HG   LYS  10          1HG       LYS  10  -2.345  -5.653  -1.161
  102   1HD   LYS  10          2HD       LYS  10  -4.685  -5.492  -3.053
  103   2HD   LYS  10          1HD       LYS  10  -3.014  -5.240  -3.549
  104   1HE   LYS  10          2HE       LYS  10  -3.611  -7.506  -4.036
  105   2HE   LYS  10          1HE       LYS  10  -2.479  -7.511  -2.686
  106   1HZ   LYS  10          1HZ       LYS  10  -5.392  -7.561  -2.216
  107   2HZ   LYS  10          2HZ       LYS  10  -4.143  -8.064  -1.191
  108   3HZ   LYS  10          3HZ       LYS  10  -4.545  -8.988  -2.549
  109    H    LEU  11           H        LEU  11  -1.664  -4.677   0.353
  110    HA   LEU  11           HA       LEU  11  -0.424  -6.944   1.654
  111   1HB   LEU  11          2HB       LEU  11   0.295  -6.250  -0.592
  112   2HB   LEU  11          1HB       LEU  11   0.794  -4.699   0.055
  113    HG   LEU  11           HG       LEU  11   2.479  -5.853   1.456
  114   1HD1  LEU  11          1HD1      LEU  11   1.104  -8.060   1.306
  115   2HD1  LEU  11          2HD1      LEU  11   2.864  -8.122   1.400
  116   3HD1  LEU  11          3HD1      LEU  11   2.056  -8.329  -0.154
  117   1HD2  LEU  11          1HD2      LEU  11   2.518  -6.135  -1.526
  118   2HD2  LEU  11          2HD2      LEU  11   3.890  -6.644  -0.541
  119   3HD2  LEU  11          3HD2      LEU  11   3.356  -4.964  -0.508
  120    H    GLY  12           H        GLY  12  -1.015  -3.644   2.245
  121   1HA   GLY  12          2HA       GLY  12  -0.713  -2.420   4.186
  122   2HA   GLY  12          1HA       GLY  12   0.124  -3.800   4.883
  123    HA   CYS  13           HA       CYS  13   3.028  -1.695   1.056
  124   1HB   CYS  13          2HB       CYS  13   3.490   0.501   1.713
  125   2HB   CYS  13          1HB       CYS  13   1.780   0.307   2.059
  126   1HN   NH2  14          H         CYS  13   3.835  -3.906   2.122
  127   2HN   NH2  14          2HN       CYS  13   5.076  -3.746   3.314
  Start of MODEL   19
    1   1H    CYS   1          1HT       CYS   1   0.158   5.597   3.227
    2   2H    CYS   1          2HT       CYS   1   0.054   4.399   2.038
    3   3H    CYS   1          3HT       CYS   1   1.378   5.450   2.063
    4    HA   CYS   1           HA       CYS   1   1.381   4.347   4.557
    5   1HB   CYS   1          2HB       CYS   1  -0.305   2.742   3.596
    6   2HB   CYS   1          1HB       CYS   1   0.940   2.190   2.483
    7    H    ARG   2           H        ARG   2   2.392   3.861   1.192
    8    HA   ARG   2           HA       ARG   2   5.116   4.437   1.853
    9   1HB   ARG   2          2HB       ARG   2   5.012   2.080   2.549
   10   2HB   ARG   2          1HB       ARG   2   4.455   1.633   0.943
   11   1HG   ARG   2          2HG       ARG   2   6.560   2.360  -0.018
   12   2HG   ARG   2          1HG       ARG   2   7.118   2.888   1.571
   13   1HD   ARG   2          2HD       ARG   2   6.424   0.061   0.780
   14   2HD   ARG   2          1HD       ARG   2   8.051   0.708   0.983
   15    HE   ARG   2           HE       ARG   2   6.402  -0.300   3.020
   16   1HH1  ARG   2          1HH1      ARG   2   8.562   2.364   2.388
   17   2HH1  ARG   2          2HH1      ARG   2   8.990   2.576   4.052
   18   1HH2  ARG   2          1HH2      ARG   2   6.961  -0.025   5.209
   19   2HH2  ARG   2          2HH2      ARG   2   8.081   1.219   5.656
   20    H    ARG   3           H        ARG   3   3.474   2.508  -0.687
   21    HA   ARG   3           HA       ARG   3   3.493   4.560  -2.603
   22   1HB   ARG   3          2HB       ARG   3   5.297   3.582  -4.100
   23   2HB   ARG   3          1HB       ARG   3   5.837   4.472  -2.686
   24   1HG   ARG   3          2HG       ARG   3   7.224   2.590  -2.816
   25   2HG   ARG   3          1HG       ARG   3   6.074   2.242  -1.527
   26   1HD   ARG   3          2HD       ARG   3   4.760   0.869  -3.045
   27   2HD   ARG   3          1HD       ARG   3   5.857   1.257  -4.369
   28    HE   ARG   3           HE       ARG   3   6.204  -0.788  -2.478
   29   1HH1  ARG   3          1HH1      ARG   3   8.034   1.726  -4.061
   30   2HH1  ARG   3          2HH1      ARG   3   9.537   0.873  -3.955
   31   1HH2  ARG   3          1HH2      ARG   3   8.178  -1.913  -2.337
   32   2HH2  ARG   3          2HH2      ARG   3   9.619  -1.195  -2.977
   33    H    TRP   4           H        TRP   4   1.798   2.439  -1.663
   34    HA   TRP   4           HA       TRP   4   0.697   1.614  -4.094
   35   1HB   TRP   4          2HB       TRP   4   0.978  -0.914  -3.684
   36   2HB   TRP   4          1HB       TRP   4   2.288  -0.032  -4.450
   37    HD1  TRP   4           HD       TRP   4   2.835   0.935  -1.067
   38    HE1  TRP   4           1HE      TRP   4   4.462  -0.630   0.145
   39    HE3  TRP   4           3HE      TRP   4   2.641  -3.053  -4.246
   40    HZ2  TRP   4           2HZ      TRP   4   5.530  -3.226  -0.188
   41    HZ3  TRP   4           3HZ      TRP   4   3.995  -5.045  -3.731
   42    HH2  TRP   4           HH       TRP   4   5.407  -5.128  -1.739
   43    H    GLN   5           H        GLN   5   1.004   0.540  -0.712
   44    HA   GLN   5           HA       GLN   5  -1.849   0.004  -0.673
   45   1HB   GLN   5          2HB       GLN   5   0.403  -0.621   1.191
   46   2HB   GLN   5          1HB       GLN   5  -1.251  -0.639   1.787
   47   1HG   GLN   5          2HG       GLN   5  -0.800  -2.850   1.196
   48   2HG   GLN   5          1HG       GLN   5  -1.759  -2.211  -0.132
   49   1HE2  GLN   5          1HE2      GLN   5  -1.113  -2.837  -2.017
   50   2HE2  GLN   5          2HE2      GLN   5   0.518  -3.168  -2.485
   51    H    TRP   6           H        TRP   6  -1.736   2.571  -1.078
   52    HA   TRP   6           HA       TRP   6  -1.745   3.963   1.487
   53   1HB   TRP   6          2HB       TRP   6  -2.652   5.697  -0.572
   54   2HB   TRP   6          1HB       TRP   6  -1.107   5.730   0.266
   55    HD1  TRP   6           HD       TRP   6   0.964   5.390  -1.204
   56    HE1  TRP   6           1HE      TRP   6   1.401   4.583  -3.607
   57    HE3  TRP   6           3HE      TRP   6  -3.767   3.882  -2.436
   58    HZ2  TRP   6           2HZ      TRP   6  -0.060   3.462  -5.742
   59    HZ3  TRP   6           3HZ      TRP   6  -4.161   2.958  -4.680
   60    HH2  TRP   6           HH       TRP   6  -2.345   2.752  -6.299
   61    H    ARG   7           H        ARG   7  -3.898   3.165  -1.171
   62    HA   ARG   7           HA       ARG   7  -6.226   3.779   0.524
   63   1HB   ARG   7          2HB       ARG   7  -6.095   3.434  -2.483
   64   2HB   ARG   7          1HB       ARG   7  -7.517   3.884  -1.557
   65   1HG   ARG   7          2HG       ARG   7  -5.013   5.546  -1.679
   66   2HG   ARG   7          1HG       ARG   7  -6.389   5.759  -2.760
   67   1HD   ARG   7          2HD       ARG   7  -6.648   7.348  -1.029
   68   2HD   ARG   7          1HD       ARG   7  -7.811   6.066  -0.702
   69    HE   ARG   7           HE       ARG   7  -5.408   5.562   0.688
   70   1HH1  ARG   7          1HH1      ARG   7  -8.170   7.687   0.716
   71   2HH1  ARG   7          2HH1      ARG   7  -8.090   7.978   2.421
   72   1HH2  ARG   7          1HH2      ARG   7  -5.294   5.945   2.934
   73   2HH2  ARG   7          2HH2      ARG   7  -6.456   6.990   3.681
   74    H    MET   8           H        MET   8  -4.806   1.503  -1.737
   75    HA   MET   8           HA       MET   8  -6.675  -0.604  -0.987
   76   1HB   MET   8          2HB       MET   8  -5.441  -1.893  -2.763
   77   2HB   MET   8          1HB       MET   8  -6.265  -0.450  -3.335
   78   1HG   MET   8          2HG       MET   8  -4.146   0.764  -3.309
   79   2HG   MET   8          1HG       MET   8  -3.324  -0.688  -2.742
   80   1HE   MET   8          1HE       MET   8  -4.613  -3.078  -5.518
   81   2HE   MET   8          2HE       MET   8  -4.170  -2.880  -3.821
   82   3HE   MET   8          3HE       MET   8  -2.913  -3.008  -5.052
   83    H    LYS   9           H        LYS   9  -5.465  -0.155   1.223
   84    HA   LYS   9           HA       LYS   9  -2.906  -1.267   1.639
   85   1HB   LYS   9          2HB       LYS   9  -5.172  -0.741   3.561
   86   2HB   LYS   9          1HB       LYS   9  -3.555  -1.228   4.052
   87   1HG   LYS   9          2HG       LYS   9  -2.606   0.779   3.235
   88   2HG   LYS   9          1HG       LYS   9  -4.108   1.246   2.445
   89   1HD   LYS   9          2HD       LYS   9  -3.828   2.504   4.494
   90   2HD   LYS   9          1HD       LYS   9  -5.187   1.393   4.665
   91   1HE   LYS   9          2HE       LYS   9  -3.745  -0.178   5.871
   92   2HE   LYS   9          1HE       LYS   9  -2.390   0.937   5.702
   93   1HZ   LYS   9          1HZ       LYS   9  -4.693   2.179   6.859
   94   2HZ   LYS   9          2HZ       LYS   9  -3.098   2.132   7.420
   95   3HZ   LYS   9          3HZ       LYS   9  -4.155   0.860   7.774
   96    H    LYS  10           H        LYS  10  -3.494  -3.268   0.278
   97    HA   LYS  10           HA       LYS  10  -4.903  -5.329   1.745
   98   1HB   LYS  10          2HB       LYS  10  -4.411  -6.749  -0.209
   99   2HB   LYS  10          1HB       LYS  10  -5.200  -5.246  -0.667
  100   1HG   LYS  10          2HG       LYS  10  -3.098  -4.315  -1.396
  101   2HG   LYS  10          1HG       LYS  10  -2.239  -5.753  -0.839
  102   1HD   LYS  10          2HD       LYS  10  -3.538  -7.106  -2.450
  103   2HD   LYS  10          1HD       LYS  10  -4.295  -5.626  -3.042
  104   1HE   LYS  10          2HE       LYS  10  -2.135  -4.761  -3.723
  105   2HE   LYS  10          1HE       LYS  10  -1.335  -6.183  -3.054
  106   1HZ   LYS  10          1HZ       LYS  10  -1.823  -7.388  -4.853
  107   2HZ   LYS  10          2HZ       LYS  10  -2.126  -5.912  -5.619
  108   3HZ   LYS  10          3HZ       LYS  10  -3.406  -6.798  -4.959
  109    H    LEU  11           H        LEU  11  -1.622  -4.620   0.653
  110    HA   LEU  11           HA       LEU  11  -0.566  -6.862   2.185
  111   1HB   LEU  11          2HB       LEU  11   0.232  -6.484  -0.116
  112   2HB   LEU  11          1HB       LEU  11   0.837  -4.911   0.364
  113    HG   LEU  11           HG       LEU  11   2.420  -6.002   1.910
  114   1HD1  LEU  11          1HD1      LEU  11   1.120  -8.485   0.845
  115   2HD1  LEU  11          2HD1      LEU  11   1.410  -8.017   2.521
  116   3HD1  LEU  11          3HD1      LEU  11   2.760  -8.503   1.495
  117   1HD2  LEU  11          1HD2      LEU  11   3.814  -5.857   0.192
  118   2HD2  LEU  11          2HD2      LEU  11   2.470  -6.026  -0.938
  119   3HD2  LEU  11          3HD2      LEU  11   3.306  -7.460  -0.342
  120    H    GLY  12           H        GLY  12  -1.163  -3.573   2.527
  121   1HA   GLY  12          2HA       GLY  12  -0.784  -2.166   4.322
  122   2HA   GLY  12          1HA       GLY  12   0.070  -3.483   5.117
  123    HA   CYS  13           HA       CYS  13   2.780  -1.578   1.033
  124   1HB   CYS  13          2HB       CYS  13   3.311   0.620   1.582
  125   2HB   CYS  13          1HB       CYS  13   1.633   0.474   2.078
  126   1HN   NH2  14          H         CYS  13   3.641  -3.766   2.061
  127   2HN   NH2  14          2HN       CYS  13   4.940  -3.611   3.191
  Start of MODEL   20
    1   1H    CYS   1          1HT       CYS   1   1.124   5.652   2.957
    2   2H    CYS   1          2HT       CYS   1  -0.371   5.143   3.558
    3   3H    CYS   1          3HT       CYS   1   0.255   4.445   2.151
    4    HA   CYS   1           HA       CYS   1   1.096   4.064   4.944
    5   1HB   CYS   1          2HB       CYS   1  -0.589   2.599   3.772
    6   2HB   CYS   1          1HB       CYS   1   0.691   2.118   2.665
    7    H    ARG   2           H        ARG   2   2.213   3.764   1.578
    8    HA   ARG   2           HA       ARG   2   4.920   4.279   2.372
    9   1HB   ARG   2          2HB       ARG   2   4.798   1.899   2.922
   10   2HB   ARG   2          1HB       ARG   2   4.240   1.538   1.295
   11   1HG   ARG   2          2HG       ARG   2   6.377   2.348   0.398
   12   2HG   ARG   2          1HG       ARG   2   6.932   2.659   2.044
   13   1HD   ARG   2          2HD       ARG   2   6.683   0.285   2.577
   14   2HD   ARG   2          1HD       ARG   2   6.117  -0.026   0.937
   15    HE   ARG   2           HE       ARG   2   8.297  -0.149   0.316
   16   1HH1  ARG   2          1HH1      ARG   2   8.103   1.892   3.138
   17   2HH1  ARG   2          2HH1      ARG   2   9.813   2.161   3.215
   18   1HH2  ARG   2          1HH2      ARG   2  10.546   0.200   0.417
   19   2HH2  ARG   2          2HH2      ARG   2  11.200   1.200   1.670
   20    H    ARG   3           H        ARG   3   3.385   2.511  -0.348
   21    HA   ARG   3           HA       ARG   3   3.483   4.679  -2.137
   22   1HB   ARG   3          2HB       ARG   3   5.355   3.802  -3.603
   23   2HB   ARG   3          1HB       ARG   3   5.836   4.578  -2.104
   24   1HG   ARG   3          2HG       ARG   3   7.208   2.682  -2.330
   25   2HG   ARG   3          1HG       ARG   3   6.013   2.275  -1.099
   26   1HD   ARG   3          2HD       ARG   3   4.717   1.042  -2.762
   27   2HD   ARG   3          1HD       ARG   3   5.893   1.469  -4.003
   28    HE   ARG   3           HE       ARG   3   6.080  -0.677  -2.190
   29   1HH1  ARG   3          1HH1      ARG   3   8.046   1.804  -3.656
   30   2HH1  ARG   3          2HH1      ARG   3   9.510   0.887  -3.543
   31   1HH2  ARG   3          1HH2      ARG   3   8.004  -1.885  -2.039
   32   2HH2  ARG   3          2HH2      ARG   3   9.486  -1.209  -2.626
   33    H    TRP   4           H        TRP   4   1.777   2.458  -1.388
   34    HA   TRP   4           HA       TRP   4   0.784   1.791  -3.922
   35   1HB   TRP   4          2HB       TRP   4   1.066  -0.755  -3.643
   36   2HB   TRP   4          1HB       TRP   4   2.408   0.174  -4.290
   37    HD1  TRP   4           HD       TRP   4   2.790   0.963  -0.845
   38    HE1  TRP   4           1HE      TRP   4   4.349  -0.666   0.372
   39    HE3  TRP   4           3HE      TRP   4   2.750  -2.867  -4.220
   40    HZ2  TRP   4           2HZ      TRP   4   5.425  -3.248  -0.030
   41    HZ3  TRP   4           3HZ      TRP   4   4.072  -4.885  -3.729
   42    HH2  TRP   4           HH       TRP   4   5.380  -5.071  -1.675
   43    H    GLN   5           H        GLN   5   0.948   0.503  -0.611
   44    HA   GLN   5           HA       GLN   5  -1.894  -0.043  -0.722
   45   1HB   GLN   5          2HB       GLN   5   0.291  -0.746   1.184
   46   2HB   GLN   5          1HB       GLN   5  -1.376  -0.783   1.738
   47   1HG   GLN   5          2HG       GLN   5  -0.933  -2.968   1.072
   48   2HG   GLN   5          1HG       GLN   5  -1.834  -2.271  -0.265
   49   1HE2  GLN   5          1HE2      GLN   5  -1.141  -2.927  -2.121
   50   2HE2  GLN   5          2HE2      GLN   5   0.503  -3.236  -2.552
   51    H    TRP   6           H        TRP   6  -1.780   2.546  -1.008
   52    HA   TRP   6           HA       TRP   6  -1.887   3.827   1.607
   53   1HB   TRP   6          2HB       TRP   6  -2.793   5.620  -0.405
   54   2HB   TRP   6          1HB       TRP   6  -1.271   5.659   0.476
   55    HD1  TRP   6           HD       TRP   6   0.858   5.375  -0.928
   56    HE1  TRP   6           1HE      TRP   6   1.374   4.702  -3.356
   57    HE3  TRP   6           3HE      TRP   6  -3.827   3.925  -2.391
   58    HZ2  TRP   6           2HZ      TRP   6  -0.015   3.697  -5.595
   59    HZ3  TRP   6           3HZ      TRP   6  -4.145   3.126  -4.695
   60    HH2  TRP   6           HH       TRP   6  -2.278   3.014  -6.263
   61    H    ARG   7           H        ARG   7  -3.984   3.142  -1.134
   62    HA   ARG   7           HA       ARG   7  -6.334   3.599   0.579
   63   1HB   ARG   7          2HB       ARG   7  -6.169   3.508  -2.444
   64   2HB   ARG   7          1HB       ARG   7  -7.617   3.830  -1.502
   65   1HG   ARG   7          2HG       ARG   7  -5.158   5.565  -1.498
   66   2HG   ARG   7          1HG       ARG   7  -6.590   5.853  -2.483
   67   1HD   ARG   7          2HD       ARG   7  -6.822   7.238  -0.585
   68   2HD   ARG   7          1HD       ARG   7  -7.909   5.877  -0.323
   69    HE   ARG   7           HE       ARG   7  -5.412   5.334   0.859
   70   1HH1  ARG   7          1HH1      ARG   7  -8.217   7.358   1.283
   71   2HH1  ARG   7          2HH1      ARG   7  -8.023   7.485   3.000
   72   1HH2  ARG   7          1HH2      ARG   7  -5.148   5.498   3.116
   73   2HH2  ARG   7          2HH2      ARG   7  -6.278   6.429   4.042
   74    H    MET   8           H        MET   8  -4.815   1.490  -1.776
   75    HA   MET   8           HA       MET   8  -6.692  -0.668  -1.216
   76   1HB   MET   8          2HB       MET   8  -5.431  -1.853  -3.021
   77   2HB   MET   8          1HB       MET   8  -6.191  -0.359  -3.541
   78   1HG   MET   8          2HG       MET   8  -4.043   0.786  -3.385
   79   2HG   MET   8          1HG       MET   8  -3.283  -0.712  -2.850
   80   1HE   MET   8          1HE       MET   8  -2.152   0.957  -5.203
   81   2HE   MET   8          2HE       MET   8  -1.894  -0.213  -6.496
   82   3HE   MET   8          3HE       MET   8  -1.444  -0.616  -4.839
   83    H    LYS   9           H        LYS   9  -5.563  -0.306   1.046
   84    HA   LYS   9           HA       LYS   9  -3.012  -1.411   1.513
   85   1HB   LYS   9          2HB       LYS   9  -5.359  -1.023   3.370
   86   2HB   LYS   9          1HB       LYS   9  -3.744  -1.476   3.893
   87   1HG   LYS   9          2HG       LYS   9  -2.839   0.596   3.237
   88   2HG   LYS   9          1HG       LYS   9  -4.300   1.037   2.355
   89   1HD   LYS   9          2HD       LYS   9  -5.545   1.127   4.452
   90   2HD   LYS   9          1HD       LYS   9  -4.099   0.645   5.341
   91   1HE   LYS   9          2HE       LYS   9  -2.971   2.687   4.634
   92   2HE   LYS   9          1HE       LYS   9  -4.390   3.160   3.699
   93   1HZ   LYS   9          1HZ       LYS   9  -4.477   4.322   5.738
   94   2HZ   LYS   9          2HZ       LYS   9  -4.165   2.929   6.646
   95   3HZ   LYS   9          3HZ       LYS   9  -5.644   3.102   5.845
   96    H    LYS  10           H        LYS  10  -3.530  -3.350   0.032
   97    HA   LYS  10           HA       LYS  10  -4.990  -5.493   1.304
   98   1HB   LYS  10          2HB       LYS  10  -4.263  -6.816  -0.675
   99   2HB   LYS  10          1HB       LYS  10  -5.126  -5.344  -1.099
  100   1HG   LYS  10          2HG       LYS  10  -3.011  -4.236  -1.595
  101   2HG   LYS  10          1HG       LYS  10  -2.137  -5.702  -1.150
  102   1HD   LYS  10          2HD       LYS  10  -4.152  -5.491  -3.384
  103   2HD   LYS  10          1HD       LYS  10  -2.399  -5.459  -3.588
  104   1HE   LYS  10          2HE       LYS  10  -4.023  -7.733  -2.448
  105   2HE   LYS  10          1HE       LYS  10  -3.289  -7.677  -4.050
  106   1HZ   LYS  10          1HZ       LYS  10  -1.130  -7.691  -3.097
  107   2HZ   LYS  10          2HZ       LYS  10  -2.000  -8.942  -2.365
  108   3HZ   LYS  10          3HZ       LYS  10  -1.737  -7.496  -1.530
  109    H    LEU  11           H        LEU  11  -1.636  -4.784   0.425
  110    HA   LEU  11           HA       LEU  11  -0.693  -7.053   1.982
  111   1HB   LEU  11          2HB       LEU  11   0.275  -6.687  -0.227
  112   2HB   LEU  11          1HB       LEU  11   0.787  -5.080   0.249
  113    HG   LEU  11           HG       LEU  11   2.282  -6.095   1.945
  114   1HD1  LEU  11          1HD1      LEU  11   0.772  -8.322   1.691
  115   2HD1  LEU  11          2HD1      LEU  11   2.397  -8.297   2.374
  116   3HD1  LEU  11          3HD1      LEU  11   2.157  -8.745   0.685
  117   1HD2  LEU  11          1HD2      LEU  11   3.350  -5.475  -0.040
  118   2HD2  LEU  11          2HD2      LEU  11   2.598  -6.780  -0.957
  119   3HD2  LEU  11          3HD2      LEU  11   3.856  -7.144   0.225
  120    H    GLY  12           H        GLY  12  -1.289  -3.769   2.365
  121   1HA   GLY  12          2HA       GLY  12  -1.028  -2.430   4.235
  122   2HA   GLY  12          1HA       GLY  12  -0.177  -3.756   5.017
  123    HA   CYS  13           HA       CYS  13   2.630  -1.654   1.095
  124   1HB   CYS  13          2HB       CYS  13   3.129   0.522   1.772
  125   2HB   CYS  13          1HB       CYS  13   1.428   0.339   2.168
  126   1HN   NH2  14          H         CYS  13   3.500  -3.870   2.045
  127   2HN   NH2  14          2HN       CYS  13   4.748  -3.751   3.236