*HEADER    TOXIN                                   06-JAN-17   5UG3              
*TITLE     NMR SOLUTION STRUCTURE OF ALPHA-CONOTOXIN GID MUTANT A10V             
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ALPHA-CONOTOXIN GID;                                       
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: CONUS GEOGRAPHUS;                               
*SOURCE   4 ORGANISM_COMMON: GEOGRAPHY CONE;                                     
*SOURCE   5 ORGANISM_TAXID: 6491                                                 
*KEYWDS    NEUROTOXIN, NEURONAL NICOTINIC ACETYLCHOLINE RECEPTORS, TOXIN         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    A.K.HUSSEIN,A.E.LEFFLER,H.A.ZEBROSKI,S.R.POWELL,A.KURYATOV,           
*AUTHOR   2 P.FILIPENKO,J.GORSON,A.HEIZMANN,S.LYSKOV,A.NICKE,J.LINDSTROM,B.RUDY, 
*AUTHOR   3 R.BONNEAU,M.HOLFORD,S.F.POGET                                        
*REVDAT   1   06-SEP-17 5UG3    0                                                
# Restraints file 1: design5_restraints
 ASSI {    1}

   (( segid "   A" and resid 2    and name  HN  ))

   (( segid "   A" and resid 2    and name  HA  ))

      2.408     0.725     0.725 peak     1 weight  1.00000E+00 volume  1.39313E+06 ppm1      8.793 ppm2      4.349



 ASSI {    2}

   (( segid "   A" and resid 2    and name  HN  ))

   (( segid "   A" and resid 2    and name  HD2 ))

      4.282     2.292     2.292 peak     2 weight  1.00000E+00 volume  1.46712E+04 ppm1      8.791 ppm2      3.198



 ASSI {    3}

   (( segid "   A" and resid 2    and name  HN  ))

   (( segid "   A" and resid 2    and name  HB2 ))

      2.540     0.806     0.806 peak     3 weight  1.00000E+00 volume  1.01064E+06 ppm1      8.789 ppm2      1.796



 ASSI {    4}

   (( segid "   A" and resid 2    and name  HN  ))

   (( segid "   A" and resid 2    and name  HB1 ))

      3.143     1.235     1.235 peak     4 weight  1.00000E+00 volume  2.81267E+05 ppm1      8.791 ppm2      1.629



 ASSI {    6}

   (( segid "   A" and resid 2    and name  HA  ))

   (( segid "   A" and resid 2    and name  HB2 ))

      2.561     0.820     0.820 peak     6 weight  1.00000E+00 volume  1.74317E+05 ppm1      4.347 ppm2      1.800



 ASSI {    7}

   (( segid "   A" and resid 2    and name  HA  ))

   (( segid "   A" and resid 2    and name  HB1 ))

      2.832     1.002     1.002 peak     7 weight  1.00000E+00 volume  8.90325E+04 ppm1      4.353 ppm2      1.607



 ASSI {    9}

   (( segid "   A" and resid 2    and name  HB2 ))

   (( segid "   A" and resid 2    and name  HB1 ))

      2.594     0.841     0.841 peak     9 weight  1.00000E+00 volume  1.47289E+05 ppm1      1.792 ppm2      1.644



 ASSI {   11}

   (( segid "   A" and resid 2    and name  HN  ))

   (( segid "   A" and resid 2    and name  HA  ))

      2.171     0.589     0.589 peak    11 weight  1.00000E+00 volume  7.66473E+05 ppm1      4.348 ppm2      8.779



 ASSI {   13}

   (( segid "   A" and resid 2    and name  HN  ))

   (( segid "   A" and resid 2    and name  HD2 ))

      3.778     1.785     1.785 peak    13 weight  1.00000E+00 volume  9.32298E+04 ppm1      3.190 ppm2      8.793



 ASSI {   14}

   (( segid "   A" and resid 2    and name  HN  ))

   (( segid "   A" and resid 2    and name  HB2 ))

      2.705     0.915     0.915 peak    14 weight  1.00000E+00 volume  6.91939E+05 ppm1      1.796 ppm2      8.788



 ASSI {   15}

   (( segid "   A" and resid 2    and name  HN  ))

   (( segid "   A" and resid 2    and name  HB1 ))

      3.341     1.396     1.396 peak    15 weight  1.00000E+00 volume  1.94883E+05 ppm1      1.643 ppm2      8.790



 ASSI {   16}

   (( segid "   A" and resid 2    and name  HN  ))

   (( segid "   A" and resid 2    and name  HB1 ))

      3.323     1.381     1.381 peak    16 weight  1.00000E+00 volume  2.01375E+05 ppm1      1.605 ppm2      8.784



 ASSI {   18}

   (( segid "   A" and resid 2    and name  HD2 ))

   (( segid "   A" and resid 2    and name  HB2 ))

      2.908     1.057     1.057 peak    18 weight  1.00000E+00 volume  9.89587E+04 ppm1      1.796 ppm2      3.196



 ASSI {   19}

   (( segid "   A" and resid 2    and name  HD2 ))

   (( segid "   A" and resid 2    and name  HB1 ))

      2.832     1.003     1.003 peak    19 weight  1.00000E+00 volume  9.88768E+04 ppm1      1.644 ppm2      3.198



 ASSI {   20}

   (( segid "   A" and resid 2    and name  HD2 ))

   (( segid "   A" and resid 2    and name  HB1 ))

      2.879     1.036     1.036 peak    20 weight  1.00000E+00 volume  9.68146E+04 ppm1      1.605 ppm2      3.197



 ASSI {   21}

   (( segid "   A" and resid 2    and name  HB2 ))

   (( segid "   A" and resid 2    and name  HB1 ))

      2.485     0.772     0.772 peak    21 weight  1.00000E+00 volume  2.02638E+05 ppm1      1.649 ppm2      1.794



 ASSI {   22}

   (( segid "   A" and resid 2    and name  HB2 ))

   (( segid "   A" and resid 2    and name  HB1 ))

      2.439     0.744     0.744 peak    22 weight  1.00000E+00 volume  1.28867E+06 ppm1      1.605 ppm2      1.795



 ASSI {   24}

   (( segid "   A" and resid 2    and name  HD2 ))

   (( segid "   A" and resid 2    and name  HE  ))

      2.855     1.019     1.019 peak    24 weight  1.00000E+00 volume  1.28933E+05 ppm1      7.256 ppm2      3.198



 ASSI {   25}

   (( segid "   A" and resid 2    and name  HB2 ))

   (( segid "   A" and resid 2    and name  HE  ))

      3.637     1.653     1.653 peak    25 weight  1.00000E+00 volume  1.17201E+05 ppm1      7.255 ppm2      1.794



 ASSI {   26}

   (( segid "   A" and resid 2    and name  HB1 ))

   (( segid "   A" and resid 2    and name  HE  ))

      3.511     1.541     1.541 peak    26 weight  1.00000E+00 volume  1.44911E+05 ppm1      7.251 ppm2      1.625



 ASSI {   27}

   (( segid "   A" and resid 2    and name  HA  ))

   (( segid "   A" and resid 2    and name  HB2 ))

      2.741     0.939     0.939 peak    27 weight  1.00000E+00 volume  6.39292E+05 ppm1      1.799 ppm2      4.350



 ASSI {   28}

   (( segid "   A" and resid 3    and name  HN  ))

   (( segid "   A" and resid 3    and name  HA  ))

      2.853     1.017     1.017 peak    28 weight  1.00000E+00 volume  5.03191E+05 ppm1      8.775 ppm2      4.603



 ASSI {   29}

   (( segid "   A" and resid 3    and name  HN  ))

   (( segid "   A" and resid 3    and name  HB2 ))

      2.695     0.908     0.908 peak    29 weight  1.00000E+00 volume  7.07983E+05 ppm1      8.775 ppm2      2.916



 ASSI {   30}

   (( segid "   A" and resid 3    and name  HN  ))

   (( segid "   A" and resid 3    and name  HB1 ))

      2.711     0.919     0.919 peak    30 weight  1.00000E+00 volume  1.66318E+05 ppm1      8.775 ppm2      2.846



 ASSI {   33}

   (( segid "   A" and resid 3    and name  HA  ))

   (( segid "   A" and resid 3    and name  HB2 ))

      2.645     0.875     0.875 peak    33 weight  1.00000E+00 volume  7.91924E+05 ppm1      4.599 ppm2      2.918



 ASSI {   34}

   (( segid "   A" and resid 3    and name  HA  ))

   (( segid "   A" and resid 3    and name  HB1 ))

      2.537     0.804     0.804 peak    34 weight  1.00000E+00 volume  1.01786E+06 ppm1      4.598 ppm2      2.844



 ASSI {   36}

   (( segid "   A" and resid 14   and name  HB2 ))

   (( segid "   A" and resid 14   and name  HB1 ))

      2.264     0.641     0.641 peak    36 weight  1.00000E+00 volume  5.20030E+05 ppm1      2.921 ppm2      2.778



 ASSI {   37}

   (( segid "   A" and resid 3    and name  HB2 ))

   (( segid "   A" and resid 3    and name  HB1 ))

      2.011     0.506     0.506 peak    37 weight  1.00000E+00 volume  4.09951E+06 ppm1      2.914 ppm2      2.847



 ASSI {   40}

   (( segid "   A" and resid 3    and name  HN  ))

   (( segid "   A" and resid 3    and name  HA  ))

      2.938     1.079     1.079 peak    40 weight  1.00000E+00 volume  4.21513E+05 ppm1      4.599 ppm2      8.776



 ASSI {   41}

   (( segid "   A" and resid 3    and name  HN  ))

   (( segid "   A" and resid 3    and name  HB2 ))

      2.866     1.027     1.027 peak    41 weight  1.00000E+00 volume  1.72987E+05 ppm1      2.911 ppm2      8.778



 ASSI {   42}

   (( segid "   A" and resid 3    and name  HN  ))

   (( segid "   A" and resid 3    and name  HB1 ))

      2.877     1.034     1.034 peak    42 weight  1.00000E+00 volume  4.78665E+05 ppm1      2.854 ppm2      8.777



 ASSI {   43}

   (( segid "   A" and resid 3    and name  HA  ))

   (( segid "   A" and resid 3    and name  HB2 ))

      2.704     0.914     0.914 peak    43 weight  1.00000E+00 volume  1.72111E+05 ppm1      2.912 ppm2      4.602



 ASSI {   44}

   (( segid "   A" and resid 3    and name  HA  ))

   (( segid "   A" and resid 3    and name  HB1 ))

      2.655     0.881     0.881 peak    44 weight  1.00000E+00 volume  2.18322E+05 ppm1      2.855 ppm2      4.603



 ASSI {   45}

   (( segid "   A" and resid 3    and name  HB2 ))

   (( segid "   A" and resid 3    and name  HB1 ))

      1.845     0.426     0.426 peak    45 weight  1.00000E+00 volume  9.80352E+05 ppm1      2.855 ppm2      2.917



 ASSI {   46}

   (( segid "   A" and resid 4    and name  HN  ))

   (( segid "   A" and resid 4    and name  HA  ))

      2.866     1.026     1.026 peak    46 weight  1.00000E+00 volume  4.89868E+05 ppm1      8.900 ppm2      4.232



 ASSI {   47}

   (( segid "   A" and resid 4    and name  HN  ))

   (( segid "   A" and resid 4    and name  HG2 ))

      2.990     1.117     1.117 peak    47 weight  1.00000E+00 volume  8.52592E+04 ppm1      8.901 ppm2      2.498



 ASSI {   48}

   (( segid "   A" and resid 4    and name  HN  ))

   (( segid "   A" and resid 4    and name  HB2 ))

      2.892     1.045     1.045 peak    48 weight  1.00000E+00 volume  4.63664E+05 ppm1      8.900 ppm2      2.175



 ASSI {   49}

   (( segid "   A" and resid 4    and name  HN  ))

   (( segid "   A" and resid 4    and name  HB1 ))

      2.704     0.914     0.914 peak    49 weight  1.00000E+00 volume  1.75676E+05 ppm1      8.900 ppm2      2.050



 ASSI {   52}

   (( segid "   A" and resid 4    and name  HA  ))

   (( segid "   A" and resid 4    and name  HG2 ))

      2.927     1.071     1.071 peak    52 weight  1.00000E+00 volume  4.31328E+05 ppm1      4.231 ppm2      2.496



 ASSI {   53}

   (( segid "   A" and resid 4    and name  HA  ))

   (( segid "   A" and resid 4    and name  HB2 ))

      2.381     0.709     0.709 peak    53 weight  1.00000E+00 volume  3.06126E+05 ppm1      4.233 ppm2      2.191



 ASSI {   54}

   (( segid "   A" and resid 4    and name  HA  ))

   (( segid "   A" and resid 4    and name  HB1 ))

      2.755     0.949     0.949 peak    54 weight  1.00000E+00 volume  6.20368E+05 ppm1      4.230 ppm2      2.050



 ASSI {   56}

   (( segid "   A" and resid 4    and name  HG2 ))

   (( segid "   A" and resid 4    and name  HB2 ))

      2.966     1.099     1.099 peak    56 weight  1.00000E+00 volume  7.12915E+04 ppm1      2.506 ppm2      2.179



 ASSI {   57}

   (( segid "   A" and resid 4    and name  HG2 ))

   (( segid "   A" and resid 4    and name  HB1 ))

      3.020     1.140     1.140 peak    57 weight  1.00000E+00 volume  3.57363E+05 ppm1      2.501 ppm2      2.053



 ASSI {   59}

   (( segid "   A" and resid 4    and name  HB2 ))

   (( segid "   A" and resid 4    and name  HB1 ))

      2.072     0.536     0.536 peak    59 weight  1.00000E+00 volume  6.51173E+05 ppm1      2.175 ppm2      2.053



 ASSI {   61}

   (( segid "   A" and resid 4    and name  HN  ))

   (( segid "   A" and resid 4    and name  HA  ))

      2.813     0.989     0.989 peak    61 weight  1.00000E+00 volume  1.84124E+05 ppm1      4.230 ppm2      8.897



 ASSI {   62}

   (( segid "   A" and resid 4    and name  HN  ))

   (( segid "   A" and resid 4    and name  HG2 ))

      3.359     1.410     1.410 peak    62 weight  1.00000E+00 volume  4.99051E+04 ppm1      2.503 ppm2      8.900



 ASSI {   63}

   (( segid "   A" and resid 4    and name  HN  ))

   (( segid "   A" and resid 4    and name  HB2 ))

      3.034     1.150     1.150 peak    63 weight  1.00000E+00 volume  3.47986E+05 ppm1      2.170 ppm2      8.897



 ASSI {   64}

   (( segid "   A" and resid 4    and name  HN  ))

   (( segid "   A" and resid 4    and name  HB1 ))

      2.907     1.056     1.056 peak    64 weight  1.00000E+00 volume  1.34684E+05 ppm1      2.052 ppm2      8.897



 ASSI {   66}

   (( segid "   A" and resid 4    and name  HA  ))

   (( segid "   A" and resid 4    and name  HG2 ))

      3.304     1.364     1.364 peak    66 weight  1.00000E+00 volume  4.72275E+04 ppm1      2.506 ppm2      4.233



 ASSI {   67}

   (( segid "   A" and resid 4    and name  HA  ))

   (( segid "   A" and resid 4    and name  HB2 ))

      2.517     0.792     0.792 peak    67 weight  1.00000E+00 volume  2.76838E+05 ppm1      2.192 ppm2      4.232



 ASSI {   68}

   (( segid "   A" and resid 4    and name  HA  ))

   (( segid "   A" and resid 4    and name  HB1 ))

      2.837     1.006     1.006 peak    68 weight  1.00000E+00 volume  5.20044E+05 ppm1      2.050 ppm2      4.231



 ASSI {   69}

   (( segid "   A" and resid 4    and name  HG2 ))

   (( segid "   A" and resid 4    and name  HB2 ))

      2.615     0.855     0.855 peak    69 weight  1.00000E+00 volume  1.40309E+05 ppm1      2.172 ppm2      2.491



 ASSI {   70}

   (( segid "   A" and resid 4    and name  HG2 ))

   (( segid "   A" and resid 4    and name  HB1 ))

      2.636     0.869     0.869 peak    70 weight  1.00000E+00 volume  1.29623E+05 ppm1      2.052 ppm2      2.497



 ASSI {   71}

   (( segid "   A" and resid 4    and name  HB2 ))

   (( segid "   A" and resid 4    and name  HB1 ))

      2.010     0.505     0.505 peak    71 weight  1.00000E+00 volume  4.10862E+06 ppm1      2.051 ppm2      2.169



 ASSI {   72}

   (( segid "   A" and resid 5    and name  HN  ))

   (( segid "   A" and resid 5    and name  HA  ))

      2.798     0.978     0.978 peak    72 weight  1.00000E+00 volume  1.79397E+05 ppm1      8.508 ppm2      4.468



 ASSI {   73}

   (( segid "   A" and resid 5    and name  HN  ))

   (( segid "   A" and resid 5    and name  HB2 ))

      2.416     0.730     0.730 peak    73 weight  1.00000E+00 volume  1.36412E+06 ppm1      8.508 ppm2      3.300



 ASSI {   74}

   (( segid "   A" and resid 5    and name  HN  ))

   (( segid "   A" and resid 5    and name  HB1 ))

      2.524     0.796     0.796 peak    74 weight  1.00000E+00 volume  2.45112E+05 ppm1      8.508 ppm2      2.762



 ASSI {   76}

   (( segid "   A" and resid 5    and name  HA  ))

   (( segid "   A" and resid 5    and name  HB2 ))

      3.232     1.305     1.305 peak    76 weight  1.00000E+00 volume  2.38186E+05 ppm1      4.476 ppm2      3.302



 ASSI {   79}

   (( segid "   A" and resid 5    and name  HA  ))

   (( segid "   A" and resid 5    and name  HB1 ))

      2.858     1.021     1.021 peak    79 weight  1.00000E+00 volume  4.98284E+05 ppm1      4.470 ppm2      2.762



 ASSI {   81}

   (( segid "   A" and resid 5    and name  HB2 ))

   (( segid "   A" and resid 5    and name  HB1 ))

      1.940     0.471     0.471 peak    81 weight  1.00000E+00 volume  1.18372E+06 ppm1      3.287 ppm2      2.764



 ASSI {   85}

   (( segid "   A" and resid 5    and name  HN  ))

   (( segid "   A" and resid 5    and name  HA  ))

      2.766     0.956     0.956 peak    85 weight  1.00000E+00 volume  6.05619E+05 ppm1      4.461 ppm2      8.505



 ASSI {   86}

   (( segid "   A" and resid 5    and name  HN  ))

   (( segid "   A" and resid 5    and name  HB2 ))

      2.492     0.776     0.776 peak    86 weight  1.00000E+00 volume  1.13261E+06 ppm1      3.299 ppm2      8.510



 ASSI {   87}

   (( segid "   A" and resid 5    and name  HN  ))

   (( segid "   A" and resid 5    and name  HB1 ))

      2.748     0.944     0.944 peak    87 weight  1.00000E+00 volume  1.59851E+05 ppm1      2.757 ppm2      8.501



 ASSI {   88}

   (( segid "   A" and resid 5    and name  HA  ))

   (( segid "   A" and resid 5    and name  HB2 ))

      2.591     0.839     0.839 peak    88 weight  1.00000E+00 volume  1.60011E+05 ppm1      3.303 ppm2      4.466



 ASSI {   89}

   (( segid "   A" and resid 5    and name  HA  ))

   (( segid "   A" and resid 5    and name  HB1 ))

      3.082     1.188     1.188 peak    89 weight  1.00000E+00 volume  9.13764E+04 ppm1      2.761 ppm2      4.467



 ASSI {   90}

   (( segid "   A" and resid 5    and name  HB2 ))

   (( segid "   A" and resid 5    and name  HB1 ))

      1.891     0.447     0.447 peak    90 weight  1.00000E+00 volume  5.94219E+06 ppm1      2.765 ppm2      3.288



 ASSI {   92}

   (( segid "   A" and resid 6    and name  HN  ))

   (( segid "   A" and resid 6    and name  HA  ))

      2.947     1.085     1.085 peak    92 weight  1.00000E+00 volume  4.14420E+05 ppm1      8.170 ppm2      4.368



 ASSI {   93}

   (( segid "   A" and resid 6    and name  HN  ))

   (( segid "   A" and resid 6    and name  HB2 ))

      2.648     0.876     0.876 peak    93 weight  1.00000E+00 volume  2.06248E+05 ppm1      8.170 ppm2      3.288



 ASSI {   94}

   (( segid "   A" and resid 6    and name  HN  ))

   (( segid "   A" and resid 6    and name  HB1 ))

      2.580     0.832     0.832 peak    94 weight  1.00000E+00 volume  2.21496E+05 ppm1      8.169 ppm2      2.877



 ASSI {   97}

   (( segid "   A" and resid 6    and name  HA  ))

   (( segid "   A" and resid 6    and name  HB2 ))

      2.692     0.906     0.906 peak    97 weight  1.00000E+00 volume  1.93301E+05 ppm1      4.368 ppm2      3.274



 ASSI {   98}

   (( segid "   A" and resid 6    and name  HA  ))

   (( segid "   A" and resid 6    and name  HB1 ))

      2.751     0.946     0.946 peak    98 weight  1.00000E+00 volume  6.25860E+05 ppm1      4.361 ppm2      2.878



 ASSI {  103}

   (( segid "   A" and resid 6    and name  HB2 ))

   (( segid "   A" and resid 6    and name  HB1 ))

      2.102     0.552     0.552 peak   103 weight  1.00000E+00 volume  7.62555E+05 ppm1      3.268 ppm2      2.878



 ASSI {  104}

   (( segid "   A" and resid 6    and name  HN  ))

   (( segid "   A" and resid 6    and name  HA  ))

      2.891     1.045     1.045 peak   104 weight  1.00000E+00 volume  4.64203E+05 ppm1      4.367 ppm2      8.169



 ASSI {  105}

   (( segid "   A" and resid 6    and name  HN  ))

   (( segid "   A" and resid 6    and name  HB2 ))

      2.821     0.995     0.995 peak   105 weight  1.00000E+00 volume  1.91009E+05 ppm1      3.288 ppm2      8.169



 ASSI {  106}

   (( segid "   A" and resid 6    and name  HN  ))

   (( segid "   A" and resid 6    and name  HB1 ))

      2.813     0.989     0.989 peak   106 weight  1.00000E+00 volume  5.47520E+05 ppm1      2.876 ppm2      8.169



 ASSI {  107}

   (( segid "   A" and resid 6    and name  HA  ))

   (( segid "   A" and resid 6    and name  HB2 ))

      2.758     0.951     0.951 peak   107 weight  1.00000E+00 volume  6.16309E+05 ppm1      3.282 ppm2      4.372



 ASSI {  108}

   (( segid "   A" and resid 6    and name  HA  ))

   (( segid "   A" and resid 6    and name  HB1 ))

      3.207     1.285     1.285 peak   108 weight  1.00000E+00 volume  1.06192E+05 ppm1      2.877 ppm2      4.368



 ASSI {  109}

   (( segid "   A" and resid 6    and name  HB2 ))

   (( segid "   A" and resid 6    and name  HB1 ))

      2.032     0.516     0.516 peak   109 weight  1.00000E+00 volume  8.73925E+05 ppm1      2.877 ppm2      3.279



 ASSI {  110}

   (( segid "   A" and resid 7    and name  HN  ))

   (( segid "   A" and resid 7    and name  HA  ))

      2.964     1.098     1.098 peak   110 weight  1.00000E+00 volume  4.00315E+05 ppm1      7.849 ppm2      4.513



 ASSI {  111}

   (( segid "   A" and resid 7    and name  HN  ))

   (( segid "   A" and resid 7    and name  HB2 ))

      2.875     1.033     1.033 peak   111 weight  1.00000E+00 volume  1.37757E+05 ppm1      7.849 ppm2      4.018



 ASSI {  112}

   (( segid "   A" and resid 7    and name  HN  ))

   (( segid "   A" and resid 7    and name  HB1 ))

      2.818     0.993     0.993 peak   112 weight  1.00000E+00 volume  1.04778E+05 ppm1      7.851 ppm2      3.973



 ASSI {  114}

   (( segid "   A" and resid 7    and name  HN  ))

   (( segid "   A" and resid 7    and name  HA  ))

      2.836     1.006     1.006 peak   114 weight  1.00000E+00 volume  5.20953E+05 ppm1      4.516 ppm2      7.855



 ASSI {  115}

   (( segid "   A" and resid 7    and name  HN  ))

   (( segid "   A" and resid 7    and name  HB2 ))

      2.985     1.114     1.114 peak   115 weight  1.00000E+00 volume  3.83200E+05 ppm1      4.013 ppm2      7.854



 ASSI {  116}

   (( segid "   A" and resid 7    and name  HN  ))

   (( segid "   A" and resid 7    and name  HB1 ))

      3.044     1.159     1.159 peak   116 weight  1.00000E+00 volume  3.40658E+05 ppm1      3.972 ppm2      7.853



 ASSI {  118}

   (( segid "   A" and resid 7    and name  HA  ))

   (( segid "   A" and resid 7    and name  HB2 ))

      2.501     0.782     0.782 peak   118 weight  1.00000E+00 volume  1.10918E+06 ppm1      4.513 ppm2      4.018



 ASSI {  119}

   (( segid "   A" and resid 7    and name  HA  ))

   (( segid "   A" and resid 7    and name  HB1 ))

      2.356     0.694     0.694 peak   119 weight  1.00000E+00 volume  1.58742E+06 ppm1      4.514 ppm2      3.973



 ASSI {  120}

   (( segid "   A" and resid 7    and name  HA  ))

   (( segid "   A" and resid 7    and name  HB2 ))

      2.934     1.076     1.076 peak   120 weight  1.00000E+00 volume  4.25098E+05 ppm1      4.012 ppm2      4.514



 ASSI {  121}

   (( segid "   A" and resid 7    and name  HA  ))

   (( segid "   A" and resid 7    and name  HB1 ))

      2.764     0.955     0.955 peak   121 weight  1.00000E+00 volume  6.08334E+05 ppm1      3.971 ppm2      4.514



 ASSI {  123}

   (( segid "   A" and resid 7    and name  HB2 ))

   (( segid "   A" and resid 7    and name  HB1 ))

      1.849     0.427     0.427 peak   123 weight  1.00000E+00 volume  1.20594E+06 ppm1      4.015 ppm2      3.974



 ASSI {  125}

   (( segid "   A" and resid 7    and name  HB2 ))

   (( segid "   A" and resid 7    and name  HB1 ))

      1.829     0.418     0.418 peak   125 weight  1.00000E+00 volume  7.25394E+06 ppm1      3.970 ppm2      4.020



 ASSI {  126}

   (( segid "   A" and resid 8    and name  HN  ))

   (( segid "   A" and resid 8    and name  HA  ))

      3.010     1.132     1.132 peak   126 weight  1.00000E+00 volume  8.77362E+04 ppm1      7.969 ppm2      5.305



 ASSI {  127}

   (( segid "   A" and resid 8    and name  HN  ))

   (( segid "   A" and resid 8    and name  HB2 ))

      2.766     0.956     0.956 peak   127 weight  1.00000E+00 volume  1.31982E+05 ppm1      7.969 ppm2      3.209



 ASSI {  128}

   (( segid "   A" and resid 8    and name  HN  ))

   (( segid "   A" and resid 8    and name  HB1 ))

      2.838     1.007     1.007 peak   128 weight  1.00000E+00 volume  1.16025E+05 ppm1      7.970 ppm2      2.883



 ASSI {  131}

   (( segid "   A" and resid 8    and name  HA  ))

   (( segid "   A" and resid 8    and name  HB2 ))

      3.192     1.274     1.274 peak   131 weight  1.00000E+00 volume  2.56312E+05 ppm1      5.301 ppm2      3.208



 ASSI {  132}

   (( segid "   A" and resid 8    and name  HA  ))

   (( segid "   A" and resid 8    and name  HB1 ))

      2.914     1.062     1.062 peak   132 weight  1.00000E+00 volume  4.42747E+05 ppm1      5.303 ppm2      2.884



 ASSI {  134}

   (( segid "   A" and resid 8    and name  HB2 ))

   (( segid "   A" and resid 8    and name  HB1 ))

      2.170     0.588     0.588 peak   134 weight  1.00000E+00 volume  6.38415E+05 ppm1      3.209 ppm2      2.880



 ASSI {  136}

   (( segid "   A" and resid 8    and name  HN  ))

   (( segid "   A" and resid 8    and name  HA  ))

      3.355     1.407     1.407 peak   136 weight  1.00000E+00 volume  3.92195E+04 ppm1      5.303 ppm2      7.965



 ASSI {  137}

   (( segid "   A" and resid 8    and name  HN  ))

   (( segid "   A" and resid 8    and name  HB2 ))

      2.879     1.036     1.036 peak   137 weight  1.00000E+00 volume  1.51838E+05 ppm1      3.208 ppm2      7.962



 ASSI {  138}

   (( segid "   A" and resid 8    and name  HN  ))

   (( segid "   A" and resid 8    and name  HB1 ))

      2.892     1.045     1.045 peak   138 weight  1.00000E+00 volume  4.63942E+05 ppm1      2.874 ppm2      7.960



 ASSI {  139}

   (( segid "   A" and resid 8    and name  HA  ))

   (( segid "   A" and resid 8    and name  HB2 ))

      2.949     1.087     1.087 peak   139 weight  1.00000E+00 volume  1.04853E+05 ppm1      3.208 ppm2      5.303



 ASSI {  140}

   (( segid "   A" and resid 8    and name  HA  ))

   (( segid "   A" and resid 8    and name  HB1 ))

      2.676     0.895     0.895 peak   140 weight  1.00000E+00 volume  7.39499E+05 ppm1      2.875 ppm2      5.300



 ASSI {  141}

   (( segid "   A" and resid 8    and name  HB2 ))

   (( segid "   A" and resid 8    and name  HB1 ))

      2.123     0.564     0.564 peak   141 weight  1.00000E+00 volume  2.95875E+06 ppm1      2.874 ppm2      3.207



 ASSI {  142}

   (( segid "   A" and resid 18   and name  HN  ))

   (( segid "   A" and resid 18   and name  HA  ))

      2.899     1.050     1.050 peak   142 weight  1.00000E+00 volume  1.16922E+05 ppm1      7.628 ppm2      4.231



 ASSI {  143}

   (( segid "   A" and resid 18   and name  HN  ))

   (( segid "   A" and resid 18   and name  HB  ))

      2.636     0.869     0.869 peak   143 weight  1.00000E+00 volume  8.08519E+05 ppm1      7.627 ppm2      2.194



 ASSI {  144}

   (( segid "   A" and resid 18   and name  HN  ))

   (  segid "   A" and resid 18   and name  HG1#)

      2.515     0.790     0.790 peak   144 weight  1.00000E+00 volume  2.73245E+05 ppm1      7.628 ppm2      0.974



 ASSI {  145}

   (( segid "   A" and resid 18   and name  HN  ))

   (  segid "   A" and resid 18   and name  HG2#)

      3.141     1.233     1.233 peak   145 weight  1.00000E+00 volume  6.04678E+04 ppm1      7.630 ppm2      0.934



 ASSI {  148}

   (( segid "   A" and resid 18   and name  HA  ))

   (  segid "   A" and resid 18   and name  HG1#)

      2.463     0.759     0.759 peak   148 weight  1.00000E+00 volume  2.61185E+05 ppm1      4.234 ppm2      0.968



 ASSI {  149}

   (( segid "   A" and resid 18   and name  HA  ))

   (  segid "   A" and resid 18   and name  HG2#)

      2.577     0.830     0.830 peak   149 weight  1.00000E+00 volume  2.14352E+05 ppm1      4.234 ppm2      0.929



 ASSI {  152}

   (( segid "   A" and resid 18   and name  HA  ))

   (( segid "   A" and resid 18   and name  HB  ))

      2.381     0.709     0.709 peak   152 weight  1.00000E+00 volume  3.06126E+05 ppm1      4.234 ppm2      2.194



 ASSI {  154}

   (( segid "   A" and resid 18   and name  HB  ))

   (  segid "   A" and resid 18   and name  HG1#)

      2.344     0.687     0.687 peak   154 weight  1.00000E+00 volume  1.63548E+06 ppm1      2.189 ppm2      0.970



 ASSI {  155}

   (( segid "   A" and resid 18   and name  HB  ))

   (  segid "   A" and resid 18   and name  HG2#)

      2.561     0.820     0.820 peak   155 weight  1.00000E+00 volume  9.61949E+05 ppm1      2.191 ppm2      0.928



 ASSI {  158}

   (( segid "   A" and resid 18   and name  HN  ))

   (( segid "   A" and resid 18   and name  HA  ))

      2.833     1.003     1.003 peak   158 weight  1.00000E+00 volume  5.24430E+05 ppm1      4.234 ppm2      7.630



 ASSI {  159}

   (( segid "   A" and resid 18   and name  HN  ))

   (( segid "   A" and resid 18   and name  HB  ))

      2.780     0.966     0.966 peak   159 weight  1.00000E+00 volume  5.87609E+05 ppm1      2.193 ppm2      7.629



 ASSI {  160}

   (( segid "   A" and resid 18   and name  HN  ))

   (  segid "   A" and resid 18   and name  HG1#)

      2.608     0.850     0.850 peak   160 weight  1.00000E+00 volume  2.21083E+05 ppm1      0.974 ppm2      7.630



 ASSI {  161}

   (( segid "   A" and resid 18   and name  HN  ))

   (  segid "   A" and resid 18   and name  HG2#)

      3.154     1.243     1.243 peak   161 weight  1.00000E+00 volume  2.75665E+05 ppm1      0.933 ppm2      7.629



 ASSI {  162}

   (( segid "   A" and resid 18   and name  HA  ))

   (( segid "   A" and resid 18   and name  HB  ))

      2.542     0.808     0.808 peak   162 weight  1.00000E+00 volume  2.34722E+05 ppm1      2.180 ppm2      4.233



 ASSI {  163}

   (( segid "   A" and resid 18   and name  HA  ))

   (  segid "   A" and resid 18   and name  HG1#)

      2.674     0.894     0.894 peak   163 weight  1.00000E+00 volume  7.42247E+05 ppm1      0.975 ppm2      4.231



 ASSI {  164}

   (( segid "   A" and resid 18   and name  HA  ))

   (  segid "   A" and resid 18   and name  HG2#)

      2.598     0.844     0.844 peak   164 weight  1.00000E+00 volume  8.82598E+05 ppm1      0.934 ppm2      4.232



 ASSI {  165}

   (( segid "   A" and resid 18   and name  HB  ))

   (  segid "   A" and resid 18   and name  HG1#)

      2.281     0.650     0.650 peak   165 weight  1.00000E+00 volume  1.92520E+06 ppm1      0.977 ppm2      2.189



 ASSI {  166}

   (( segid "   A" and resid 18   and name  HB  ))

   (  segid "   A" and resid 18   and name  HG2#)

      2.375     0.705     0.705 peak   166 weight  1.00000E+00 volume  3.16626E+05 ppm1      0.935 ppm2      2.194



 ASSI {  167}

   (( segid "   A" and resid 11   and name  HN  ))

   (( segid "   A" and resid 11   and name  HA  ))

      2.717     0.923     0.923 peak   167 weight  1.00000E+00 volume  1.86809E+05 ppm1      7.663 ppm2      4.207



 ASSI {  168}

   (( segid "   A" and resid 11   and name  HN  ))

   (( segid "   A" and resid 11   and name  HB2 ))

      2.695     0.908     0.908 peak   168 weight  1.00000E+00 volume  1.67223E+05 ppm1      7.663 ppm2      4.135



 ASSI {  169}

   (( segid "   A" and resid 11   and name  HN  ))

   (( segid "   A" and resid 11   and name  HB1 ))

      2.559     0.819     0.819 peak   169 weight  1.00000E+00 volume  9.65373E+05 ppm1      7.663 ppm2      3.307



 ASSI {  172}

   (( segid "   A" and resid 11   and name  HA  ))

   (( segid "   A" and resid 11   and name  HB1 ))

      2.511     0.788     0.788 peak   172 weight  1.00000E+00 volume  1.08141E+06 ppm1      4.199 ppm2      3.308



 ASSI {  174}

   (( segid "   A" and resid 11   and name  HA  ))

   (( segid "   A" and resid 11   and name  HB2 ))

      2.425     0.735     0.735 peak   174 weight  1.00000E+00 volume  1.33425E+06 ppm1      4.200 ppm2      4.136



 ASSI {  176}

   (( segid "   A" and resid 11   and name  HB2 ))

   (( segid "   A" and resid 11   and name  HB1 ))

      2.420     0.732     0.732 peak   176 weight  1.00000E+00 volume  1.34899E+06 ppm1      4.128 ppm2      3.305



 ASSI {  178}

   (( segid "   A" and resid 11   and name  HN  ))

   (( segid "   A" and resid 11   and name  HA  ))

      2.841     1.009     1.009 peak   178 weight  1.00000E+00 volume  5.15872E+05 ppm1      4.199 ppm2      7.659



 ASSI {  179}

   (( segid "   A" and resid 11   and name  HN  ))

   (( segid "   A" and resid 11   and name  HB2 ))

      2.873     1.032     1.032 peak   179 weight  1.00000E+00 volume  4.82632E+05 ppm1      4.128 ppm2      7.660



 ASSI {  180}

   (( segid "   A" and resid 11   and name  HN  ))

   (( segid "   A" and resid 11   and name  HB1 ))

      2.606     0.849     0.849 peak   180 weight  1.00000E+00 volume  9.48364E+04 ppm1      3.304 ppm2      7.663



 ASSI {  181}

   (( segid "   A" and resid 11   and name  HA  ))

   (( segid "   A" and resid 11   and name  HB2 ))

      2.464     0.759     0.759 peak   181 weight  1.00000E+00 volume  1.21237E+06 ppm1      4.128 ppm2      4.206



 ASSI {  182}

   (( segid "   A" and resid 11   and name  HA  ))

   (( segid "   A" and resid 11   and name  HB1 ))

      2.365     0.699     0.699 peak   182 weight  1.00000E+00 volume  1.78749E+05 ppm1      3.306 ppm2      4.206



 ASSI {  183}

   (( segid "   A" and resid 12   and name  HN  ))

   (( segid "   A" and resid 12   and name  HA  ))

      2.832     1.002     1.002 peak   183 weight  1.00000E+00 volume  2.03614E+05 ppm1      8.530 ppm2      3.950



 ASSI {  184}

   (( segid "   A" and resid 12   and name  HN  ))

   (( segid "   A" and resid 12   and name  HD2 ))

      2.802     0.981     0.981 peak   184 weight  1.00000E+00 volume  1.08662E+05 ppm1      8.527 ppm2      3.297



 ASSI {  185}

   (( segid "   A" and resid 12   and name  HN  ))

   (( segid "   A" and resid 12   and name  HG2 ))

      2.615     0.855     0.855 peak   185 weight  1.00000E+00 volume  8.48341E+05 ppm1      8.531 ppm2      2.021



 ASSI {  186}

   (( segid "   A" and resid 12   and name  HN  ))

   (( segid "   A" and resid 12   and name  HG1 ))

      2.730     0.932     0.932 peak   186 weight  1.00000E+00 volume  1.60555E+05 ppm1      8.530 ppm2      1.857



 ASSI {  187}

   (( segid "   A" and resid 12   and name  HN  ))

   (( segid "   A" and resid 12   and name  HB2 ))

      3.066     1.175     1.175 peak   187 weight  1.00000E+00 volume  3.26488E+05 ppm1      8.530 ppm2      1.729



 ASSI {  188}

   (( segid "   A" and resid 12   and name  HN  ))

   (( segid "   A" and resid 12   and name  HB1 ))

      3.214     1.291     1.291 peak   188 weight  1.00000E+00 volume  6.90732E+04 ppm1      8.530 ppm2      1.601



 ASSI {  190}

   (( segid "   A" and resid 12   and name  HA  ))

   (( segid "   A" and resid 12   and name  HD2 ))

      4.620     2.668     2.668 peak   190 weight  1.00000E+00 volume  3.94126E+04 ppm1      3.951 ppm2      3.270



 ASSI {  191}

   (( segid "   A" and resid 12   and name  HA  ))

   (( segid "   A" and resid 12   and name  HG2 ))

      2.462     0.758     0.758 peak   191 weight  1.00000E+00 volume  1.21763E+06 ppm1      3.952 ppm2      2.026



 ASSI {  192}

   (( segid "   A" and resid 12   and name  HA  ))

   (( segid "   A" and resid 12   and name  HG1 ))

      2.770     0.959     0.959 peak   192 weight  1.00000E+00 volume  1.22119E+05 ppm1      3.950 ppm2      1.858



 ASSI {  193}

   (( segid "   A" and resid 12   and name  HA  ))

   (( segid "   A" and resid 12   and name  HB2 ))

      2.904     1.054     1.054 peak   193 weight  1.00000E+00 volume  4.52700E+05 ppm1      3.950 ppm2      1.728



 ASSI {  194}

   (( segid "   A" and resid 12   and name  HA  ))

   (( segid "   A" and resid 12   and name  HB1 ))

      2.979     1.109     1.109 peak   194 weight  1.00000E+00 volume  8.70300E+04 ppm1      3.951 ppm2      1.603



 ASSI {  196}

   (( segid "   A" and resid 12   and name  HD2 ))

   (( segid "   A" and resid 12   and name  HG2 ))

      2.778     0.965     0.965 peak   196 weight  1.00000E+00 volume  5.89704E+05 ppm1      3.279 ppm2      2.019



 ASSI {  197}

   (( segid "   A" and resid 12   and name  HD2 ))

   (( segid "   A" and resid 12   and name  HG1 ))

      2.758     0.951     0.951 peak   197 weight  1.00000E+00 volume  6.15762E+05 ppm1      3.276 ppm2      1.856



 ASSI {  198}

   (( segid "   A" and resid 12   and name  HD2 ))

   (( segid "   A" and resid 12   and name  HB2 ))

      2.536     0.804     0.804 peak   198 weight  1.00000E+00 volume  1.02071E+06 ppm1      3.276 ppm2      1.729



 ASSI {  199}

   (( segid "   A" and resid 12   and name  HD2 ))

   (( segid "   A" and resid 12   and name  HB1 ))

      2.545     0.809     0.809 peak   199 weight  1.00000E+00 volume  9.99399E+05 ppm1      3.276 ppm2      1.602



 ASSI {  202}

   (( segid "   A" and resid 12   and name  HG2 ))

   (( segid "   A" and resid 12   and name  HG1 ))

      2.297     0.659     0.659 peak   202 weight  1.00000E+00 volume  3.16508E+05 ppm1      2.016 ppm2      1.857



 ASSI {  203}

   (( segid "   A" and resid 12   and name  HG2 ))

   (( segid "   A" and resid 12   and name  HB2 ))

      2.977     1.108     1.108 peak   203 weight  1.00000E+00 volume  3.89705E+05 ppm1      2.013 ppm2      1.731



 ASSI {  204}

   (( segid "   A" and resid 12   and name  HG2 ))

   (( segid "   A" and resid 12   and name  HB1 ))

      3.152     1.242     1.242 peak   204 weight  1.00000E+00 volume  2.76803E+05 ppm1      2.009 ppm2      1.604



 ASSI {  206}

   (( segid "   A" and resid 12   and name  HG1 ))

   (( segid "   A" and resid 12   and name  HB2 ))

      2.708     0.917     0.917 peak   206 weight  1.00000E+00 volume  1.16960E+05 ppm1      1.850 ppm2      1.731



 ASSI {  207}

   (( segid "   A" and resid 12   and name  HG1 ))

   (( segid "   A" and resid 12   and name  HB1 ))

      2.846     1.013     1.013 peak   207 weight  1.00000E+00 volume  8.93602E+04 ppm1      1.841 ppm2      1.602



 ASSI {  209}

   (( segid "   A" and resid 12   and name  HB2 ))

   (( segid "   A" and resid 12   and name  HB1 ))

      2.274     0.646     0.646 peak   209 weight  1.00000E+00 volume  1.96398E+06 ppm1      1.727 ppm2      1.603



 ASSI {  211}

   (( segid "   A" and resid 12   and name  HB2 ))

   (( segid "   A" and resid 12   and name  HB1 ))

      2.212     0.612     0.612 peak   211 weight  1.00000E+00 volume  2.31554E+06 ppm1      1.598 ppm2      1.728



 ASSI {  212}

   (( segid "   A" and resid 12   and name  HG1 ))

   (( segid "   A" and resid 12   and name  HB2 ))

      2.518     0.792     0.792 peak   212 weight  1.00000E+00 volume  1.49642E+05 ppm1      1.730 ppm2      1.850



 ASSI {  213}

   (( segid "   A" and resid 12   and name  HG1 ))

   (( segid "   A" and resid 12   and name  HB1 ))

      2.646     0.875     0.875 peak   213 weight  1.00000E+00 volume  7.89599E+05 ppm1      1.599 ppm2      1.856



 ASSI {  214}

   (( segid "   A" and resid 12   and name  HG2 ))

   (( segid "   A" and resid 12   and name  HG1 ))

      2.260     0.638     0.638 peak   214 weight  1.00000E+00 volume  3.34717E+05 ppm1      1.851 ppm2      2.019



 ASSI {  215}

   (( segid "   A" and resid 12   and name  HG2 ))

   (( segid "   A" and resid 12   and name  HB2 ))

      2.735     0.935     0.935 peak   215 weight  1.00000E+00 volume  6.48191E+05 ppm1      1.732 ppm2      2.018



 ASSI {  216}

   (( segid "   A" and resid 12   and name  HG2 ))

   (( segid "   A" and resid 12   and name  HB1 ))

      2.932     1.075     1.075 peak   216 weight  1.00000E+00 volume  6.59042E+04 ppm1      1.598 ppm2      2.018



 ASSI {  217}

   (( segid "   A" and resid 12   and name  HD2 ))

   (( segid "   A" and resid 12   and name  HG2 ))

      2.797     0.978     0.978 peak   217 weight  1.00000E+00 volume  1.09208E+05 ppm1      2.017 ppm2      3.277



 ASSI {  218}

   (( segid "   A" and resid 12   and name  HD2 ))

   (( segid "   A" and resid 12   and name  HG1 ))

      2.790     0.973     0.973 peak   218 weight  1.00000E+00 volume  5.75276E+05 ppm1      1.850 ppm2      3.276



 ASSI {  219}

   (( segid "   A" and resid 12   and name  HD2 ))

   (( segid "   A" and resid 12   and name  HB2 ))

      2.581     0.833     0.833 peak   219 weight  1.00000E+00 volume  1.83916E+05 ppm1      1.728 ppm2      3.276



 ASSI {  220}

   (( segid "   A" and resid 12   and name  HD2 ))

   (( segid "   A" and resid 12   and name  HB1 ))

      2.572     0.827     0.827 peak   220 weight  1.00000E+00 volume  9.37743E+05 ppm1      1.598 ppm2      3.276



 ASSI {  221}

   (( segid "   A" and resid 12   and name  HA  ))

   (( segid "   A" and resid 12   and name  HG2 ))

      2.663     0.886     0.886 peak   221 weight  1.00000E+00 volume  7.61193E+05 ppm1      2.022 ppm2      3.952



 ASSI {  222}

   (( segid "   A" and resid 12   and name  HA  ))

   (( segid "   A" and resid 12   and name  HG1 ))

      3.009     1.132     1.132 peak   222 weight  1.00000E+00 volume  9.89842E+04 ppm1      1.852 ppm2      3.951



 ASSI {  223}

   (( segid "   A" and resid 12   and name  HA  ))

   (( segid "   A" and resid 12   and name  HB2 ))

      3.096     1.198     1.198 peak   223 weight  1.00000E+00 volume  3.08100E+05 ppm1      1.730 ppm2      3.951



 ASSI {  224}

   (( segid "   A" and resid 12   and name  HA  ))

   (( segid "   A" and resid 12   and name  HB1 ))

      3.132     1.226     1.226 peak   224 weight  1.00000E+00 volume  2.87399E+05 ppm1      1.596 ppm2      3.950



 ASSI {  225}

   (( segid "   A" and resid 12   and name  HG2 ))

   (( segid "   A" and resid 9    and name  HA  ))

      2.710     0.918     0.918 peak   225 weight  1.00000E+00 volume  6.84690E+05 ppm1      2.026 ppm2      4.135

 OR {  225}

   (( segid "   A" and resid 9    and name  HB2 ))

   (( segid "   A" and resid 9    and name  HA  ))



 ASSI {  227}

   (( segid "   A" and resid 2    and name  HD2 ))

   (( segid "   A" and resid 2    and name  HE  ))

      2.873     1.032     1.032 peak   227 weight  1.00000E+00 volume  4.82447E+05 ppm1      3.194 ppm2      7.255



 ASSI {  228}

   (( segid "   A" and resid 2    and name  HB2 ))

   (( segid "   A" and resid 2    and name  HE  ))

      3.857     1.859     1.859 peak   228 weight  1.00000E+00 volume  8.24328E+04 ppm1      1.795 ppm2      7.256



 ASSI {  229}

   (( segid "   A" and resid 2    and name  HB1 ))

   (( segid "   A" and resid 2    and name  HE  ))

      3.642     1.658     1.658 peak   229 weight  1.00000E+00 volume  1.16338E+05 ppm1      1.609 ppm2      7.249



 ASSI {  230}

   (( segid "   A" and resid 12   and name  HD2 ))

   (( segid "   A" and resid 12   and name  HE  ))

      2.569     0.825     0.825 peak   230 weight  1.00000E+00 volume  9.43844E+05 ppm1      7.366 ppm2      3.275



 ASSI {  231}

   (( segid "   A" and resid 12   and name  HG2 ))

   (( segid "   A" and resid 12   and name  HE  ))

      3.438     1.478     1.478 peak   231 weight  1.00000E+00 volume  3.41770E+04 ppm1      7.368 ppm2      2.021



 ASSI {  232}

   (( segid "   A" and resid 12   and name  HG1 ))

   (( segid "   A" and resid 12   and name  HE  ))

      3.352     1.405     1.405 peak   232 weight  1.00000E+00 volume  4.00323E+04 ppm1      7.367 ppm2      1.857



 ASSI {  233}

   (( segid "   A" and resid 12   and name  HB2 ))

   (( segid "   A" and resid 12   and name  HE  ))

      3.260     1.329     1.329 peak   233 weight  1.00000E+00 volume  4.93068E+04 ppm1      7.367 ppm2      1.727



 ASSI {  234}

   (( segid "   A" and resid 12   and name  HB1 ))

   (( segid "   A" and resid 12   and name  HE  ))

      3.235     1.308     1.308 peak   234 weight  1.00000E+00 volume  5.37140E+04 ppm1      7.368 ppm2      1.603



 ASSI {  236}

   (( segid "   A" and resid 12   and name  HD2 ))

   (( segid "   A" and resid 12   and name  HE  ))

      2.547     0.811     0.811 peak   236 weight  1.00000E+00 volume  2.77584E+05 ppm1      3.278 ppm2      7.371



 ASSI {  237}

   (( segid "   A" and resid 12   and name  HB2 ))

   (( segid "   A" and resid 12   and name  HE  ))

      3.289     1.352     1.352 peak   237 weight  1.00000E+00 volume  2.14301E+05 ppm1      1.730 ppm2      7.374



 ASSI {  238}

   (( segid "   A" and resid 12   and name  HB1 ))

   (( segid "   A" and resid 12   and name  HE  ))

      3.248     1.319     1.319 peak   238 weight  1.00000E+00 volume  5.24252E+04 ppm1      1.597 ppm2      7.373



 ASSI {  239}

   (( segid "   A" and resid 13   and name  HN  ))

   (( segid "   A" and resid 13   and name  HA  ))

      2.840     1.008     1.008 peak   239 weight  1.00000E+00 volume  5.16711E+05 ppm1      7.400 ppm2      3.881



 ASSI {  240}

   (( segid "   A" and resid 13   and name  HN  ))

   (( segid "   A" and resid 13   and name  HB  ))

      2.535     0.803     0.803 peak   240 weight  1.00000E+00 volume  2.54715E+05 ppm1      7.401 ppm2      2.172



 ASSI {  241}

   (( segid "   A" and resid 13   and name  HN  ))

   (  segid "   A" and resid 13   and name  HG1#)

      2.895     1.048     1.048 peak   241 weight  1.00000E+00 volume  4.60677E+05 ppm1      7.399 ppm2      0.976



 ASSI {  242}

   (( segid "   A" and resid 13   and name  HN  ))

   (  segid "   A" and resid 13   and name  HG2#)

      2.639     0.870     0.870 peak   242 weight  1.00000E+00 volume  8.03773E+05 ppm1      7.401 ppm2      1.068



 ASSI {  245}

   (( segid "   A" and resid 13   and name  HA  ))

   (( segid "   A" and resid 13   and name  HB  ))

      2.465     0.760     0.760 peak   245 weight  1.00000E+00 volume  3.00673E+05 ppm1      3.883 ppm2      2.166



 ASSI {  246}

   (( segid "   A" and resid 13   and name  HA  ))

   (  segid "   A" and resid 13   and name  HG2#)

      2.619     0.857     0.857 peak   246 weight  1.00000E+00 volume  8.40907E+05 ppm1      3.883 ppm2      1.065



 ASSI {  247}

   (( segid "   A" and resid 1    and name  HA  ))

   (  segid "   A" and resid 1    and name  HG2#)

      2.544     0.809     0.809 peak   247 weight  1.00000E+00 volume  9.99956E+05 ppm1      3.870 ppm2      0.986



 ASSI {  248}

   (( segid "   A" and resid 13   and name  HA  ))

   (  segid "   A" and resid 13   and name  HG1#)

      2.546     0.810     0.810 peak   248 weight  1.00000E+00 volume  2.69008E+05 ppm1      3.882 ppm2      0.976



 ASSI {  250}

   (( segid "   A" and resid 13   and name  HB  ))

   (  segid "   A" and resid 13   and name  HG2#)

      2.725     0.928     0.928 peak   250 weight  1.00000E+00 volume  6.62338E+05 ppm1      2.159 ppm2      1.067



 ASSI {  251}

   (( segid "   A" and resid 13   and name  HB  ))

   (  segid "   A" and resid 13   and name  HG1#)

      2.477     0.767     0.767 peak   251 weight  1.00000E+00 volume  1.17526E+06 ppm1      2.159 ppm2      0.973



 ASSI {  254}

   (( segid "   A" and resid 13   and name  HN  ))

   (( segid "   A" and resid 13   and name  HA  ))

      2.638     0.870     0.870 peak   254 weight  1.00000E+00 volume  8.04851E+05 ppm1      3.882 ppm2      7.397



 ASSI {  255}

   (( segid "   A" and resid 13   and name  HN  ))

   (( segid "   A" and resid 13   and name  HB  ))

      2.659     0.884     0.884 peak   255 weight  1.00000E+00 volume  7.67876E+05 ppm1      2.164 ppm2      7.397



 ASSI {  256}

   (( segid "   A" and resid 13   and name  HN  ))

   (  segid "   A" and resid 13   and name  HG2#)

      2.700     0.911     0.911 peak   256 weight  1.00000E+00 volume  6.99650E+05 ppm1      1.061 ppm2      7.397



 ASSI {  257}

   (( segid "   A" and resid 13   and name  HN  ))

   (  segid "   A" and resid 13   and name  HG1#)

      3.087     1.191     1.191 peak   257 weight  1.00000E+00 volume  1.07399E+05 ppm1      0.982 ppm2      7.394



 ASSI {  258}

   (( segid "   A" and resid 13   and name  HA  ))

   (( segid "   A" and resid 13   and name  HB  ))

      2.668     0.890     0.890 peak   258 weight  1.00000E+00 volume  7.52840E+05 ppm1      2.165 ppm2      3.881



 ASSI {  259}

   (( segid "   A" and resid 13   and name  HA  ))

   (  segid "   A" and resid 13   and name  HG2#)

      2.720     0.925     0.925 peak   259 weight  1.00000E+00 volume  2.33302E+05 ppm1      1.062 ppm2      3.880



 ASSI {  260}

   (( segid "   A" and resid 13   and name  HA  ))

   (  segid "   A" and resid 13   and name  HG1#)

      2.634     0.867     0.867 peak   260 weight  1.00000E+00 volume  8.11827E+05 ppm1      0.982 ppm2      3.882



 ASSI {  261}

   (( segid "   A" and resid 13   and name  HB  ))

   (  segid "   A" and resid 13   and name  HG2#)

      2.593     0.840     0.840 peak   261 weight  1.00000E+00 volume  2.50244E+05 ppm1      1.064 ppm2      2.168



 ASSI {  262}

   (( segid "   A" and resid 13   and name  HB  ))

   (  segid "   A" and resid 13   and name  HG1#)

      2.329     0.678     0.678 peak   262 weight  1.00000E+00 volume  1.70130E+06 ppm1      0.986 ppm2      2.167



 ASSI {  263}

   (  segid "   A" and resid 13   and name  HG1#)

   (  segid "   A" and resid 13   and name  HG2#)

      2.158     0.582     0.582 peak   263 weight  1.00000E+00 volume  5.24118E+05 ppm1      0.981 ppm2      1.069



 ASSI {  264}

   (( segid "   A" and resid 14   and name  HN  ))

   (( segid "   A" and resid 14   and name  HA  ))

      2.923     1.068     1.068 peak   264 weight  1.00000E+00 volume  4.35357E+05 ppm1      7.609 ppm2      4.734



 ASSI {  265}

   (( segid "   A" and resid 14   and name  HB2 ))

   (( segid "   A" and resid 14   and name  HN  ))

      2.963     1.098     1.098 peak   265 weight  1.00000E+00 volume  4.00706E+05 ppm1      7.618 ppm2      2.907



 ASSI {  266}

   (( segid "   A" and resid 14   and name  HB1 ))

   (( segid "   A" and resid 14   and name  HN  ))

      2.757     0.950     0.950 peak   266 weight  1.00000E+00 volume  1.12887E+05 ppm1      7.614 ppm2      2.781



 ASSI {  267}

   (( segid "   A" and resid 14   and name  HB2 ))

   (( segid "   A" and resid 14   and name  HA  ))

      2.818     0.993     0.993 peak   267 weight  1.00000E+00 volume  5.41777E+05 ppm1      4.729 ppm2      2.910



 ASSI {  268}

   (( segid "   A" and resid 14   and name  HB1 ))

   (( segid "   A" and resid 14   and name  HA  ))

      3.355     1.407     1.407 peak   268 weight  1.00000E+00 volume  2.34577E+04 ppm1      4.730 ppm2      2.790



 ASSI {  270}

   (( segid "   A" and resid 3    and name  HB2 ))

   (( segid "   A" and resid 3    and name  HB1 ))

      2.340     0.684     0.684 peak   270 weight  1.00000E+00 volume  3.56140E+05 ppm1      2.938 ppm2      2.849



 ASSI {  273}

   (( segid "   A" and resid 14   and name  HN  ))

   (( segid "   A" and resid 14   and name  HA  ))

      3.009     1.131     1.131 peak   273 weight  1.00000E+00 volume  3.65767E+05 ppm1      4.733 ppm2      7.625



 ASSI {  274}

   (( segid "   A" and resid 14   and name  HB2 ))

   (( segid "   A" and resid 14   and name  HN  ))

      3.100     1.202     1.202 peak   274 weight  1.00000E+00 volume  5.79233E+04 ppm1      2.914 ppm2      7.630



 ASSI {  275}

   (( segid "   A" and resid 14   and name  HB1 ))

   (( segid "   A" and resid 14   and name  HN  ))

      2.875     1.033     1.033 peak   275 weight  1.00000E+00 volume  3.73910E+04 ppm1      2.758 ppm2      7.609



 ASSI {  276}

   (( segid "   A" and resid 14   and name  HB2 ))

   (( segid "   A" and resid 14   and name  HA  ))

      2.763     0.954     0.954 peak   276 weight  1.00000E+00 volume  6.09508E+05 ppm1      2.908 ppm2      4.731



 ASSI {  277}

   (( segid "   A" and resid 14   and name  HB2 ))

   (( segid "   A" and resid 14   and name  HB1 ))

      2.051     0.526     0.526 peak   277 weight  1.00000E+00 volume  3.64708E+06 ppm1      2.779 ppm2      2.913



 ASSI {  278}

   (( segid "   A" and resid 15   and name  HN  ))

   (( segid "   A" and resid 15   and name  HA  ))

      2.911     1.059     1.059 peak   278 weight  1.00000E+00 volume  4.46102E+05 ppm1      7.642 ppm2      5.153



 ASSI {  279}

   (( segid "   A" and resid 15   and name  HN  ))

   (( segid "   A" and resid 15   and name  HB2 ))

      2.892     1.046     1.046 peak   279 weight  1.00000E+00 volume  4.63480E+05 ppm1      7.641 ppm2      2.778



 ASSI {  280}

   (( segid "   A" and resid 15   and name  HN  ))

   (( segid "   A" and resid 15   and name  HB1 ))

      2.512     0.789     0.789 peak   280 weight  1.00000E+00 volume  1.44671E+05 ppm1      7.639 ppm2      2.690



 ASSI {  281}

   (( segid "   A" and resid 15   and name  HN  ))

   (( segid "   A" and resid 15   and name  HB2 ))

      2.813     0.989     0.989 peak   281 weight  1.00000E+00 volume  5.47487E+05 ppm1      2.767 ppm2      7.632



 ASSI {  282}

   (( segid "   A" and resid 15   and name  HN  ))

   (( segid "   A" and resid 15   and name  HB1 ))

      2.771     0.960     0.960 peak   282 weight  1.00000E+00 volume  1.20409E+05 ppm1      2.681 ppm2      7.633



 ASSI {  283}

   (( segid "   A" and resid 15   and name  HA  ))

   (( segid "   A" and resid 15   and name  HB1 ))

      2.705     0.915     0.915 peak   283 weight  1.00000E+00 volume  1.57231E+05 ppm1      2.682 ppm2      5.150



 ASSI {  284}

   (( segid "   A" and resid 10   and name  HN  ))

   (( segid "   A" and resid 10   and name  HA  ))

      2.786     0.970     0.970 peak   284 weight  1.00000E+00 volume  5.80227E+05 ppm1      7.490 ppm2      3.747



 ASSI {  285}

   (( segid "   A" and resid 10   and name  HN  ))

   (( segid "   A" and resid 10   and name  HB  ))

      2.333     0.680     0.680 peak   285 weight  1.00000E+00 volume  1.68430E+06 ppm1      7.492 ppm2      2.047



 ASSI {  286}

   (( segid "   A" and resid 10   and name  HN  ))

   (  segid "   A" and resid 10   and name  HG1#)

      2.516     0.791     0.791 peak   286 weight  1.00000E+00 volume  1.07030E+06 ppm1      7.491 ppm2      0.998



 ASSI {  287}

   (( segid "   A" and resid 10   and name  HN  ))

   (  segid "   A" and resid 10   and name  HG2#)

      3.181     1.265     1.265 peak   287 weight  1.00000E+00 volume  2.61613E+05 ppm1      7.491 ppm2      0.881



 ASSI {  289}

   (( segid "   A" and resid 10   and name  HN  ))

   (( segid "   A" and resid 10   and name  HA  ))

      2.784     0.969     0.969 peak   289 weight  1.00000E+00 volume  2.05949E+05 ppm1      3.746 ppm2      7.490



 ASSI {  290}

   (( segid "   A" and resid 10   and name  HN  ))

   (( segid "   A" and resid 10   and name  HB  ))

      2.509     0.787     0.787 peak   290 weight  1.00000E+00 volume  3.00348E+05 ppm1      2.045 ppm2      7.490



 ASSI {  291}

   (( segid "   A" and resid 10   and name  HN  ))

   (  segid "   A" and resid 10   and name  HG1#)

      2.547     0.811     0.811 peak   291 weight  1.00000E+00 volume  9.93378E+05 ppm1      1.001 ppm2      7.490



 ASSI {  292}

   (( segid "   A" and resid 10   and name  HN  ))

   (  segid "   A" and resid 10   and name  HG2#)

      3.396     1.442     1.442 peak   292 weight  1.00000E+00 volume  6.63347E+04 ppm1      0.886 ppm2      7.488



 ASSI {  294}

   (( segid "   A" and resid 10   and name  HA  ))

   (( segid "   A" and resid 10   and name  HB  ))

      2.766     0.956     0.956 peak   294 weight  1.00000E+00 volume  1.38921E+05 ppm1      3.746 ppm2      2.047



 ASSI {  295}

   (( segid "   A" and resid 10   and name  HA  ))

   (  segid "   A" and resid 10   and name  HG1#)

      2.422     0.733     0.733 peak   295 weight  1.00000E+00 volume  1.34335E+06 ppm1      3.745 ppm2      0.997



 ASSI {  296}

   (( segid "   A" and resid 10   and name  HA  ))

   (  segid "   A" and resid 10   and name  HG2#)

      2.636     0.869     0.869 peak   296 weight  1.00000E+00 volume  2.54686E+05 ppm1      3.745 ppm2      0.883



 ASSI {  298}

   (( segid "   A" and resid 10   and name  HB  ))

   (  segid "   A" and resid 10   and name  HG1#)

      2.489     0.774     0.774 peak   298 weight  1.00000E+00 volume  3.38411E+05 ppm1      2.044 ppm2      0.998



 ASSI {  299}

   (( segid "   A" and resid 10   and name  HB  ))

   (  segid "   A" and resid 10   and name  HG2#)

      2.556     0.817     0.817 peak   299 weight  1.00000E+00 volume  2.32326E+05 ppm1      2.045 ppm2      0.885



 ASSI {  301}

   (  segid "   A" and resid 10   and name  HG1#)

   (  segid "   A" and resid 10   and name  HG2#)

      2.972     1.104     1.104 peak   301 weight  1.00000E+00 volume  1.49477E+05 ppm1      1.003 ppm2      0.880



 ASSI {  303}

   (( segid "   A" and resid 10   and name  HA  ))

   (( segid "   A" and resid 10   and name  HB  ))

      2.907     1.056     1.056 peak   303 weight  1.00000E+00 volume  4.49544E+05 ppm1      2.046 ppm2      3.745



 ASSI {  304}

   (( segid "   A" and resid 10   and name  HA  ))

   (  segid "   A" and resid 10   and name  HG1#)

      2.506     0.785     0.785 peak   304 weight  1.00000E+00 volume  2.77067E+05 ppm1      0.999 ppm2      3.746



 ASSI {  305}

   (( segid "   A" and resid 10   and name  HA  ))

   (  segid "   A" and resid 10   and name  HG2#)

      2.676     0.895     0.895 peak   305 weight  1.00000E+00 volume  1.76459E+05 ppm1      0.885 ppm2      3.747



 ASSI {  306}

   (( segid "   A" and resid 10   and name  HB  ))

   (  segid "   A" and resid 10   and name  HG1#)

      2.298     0.660     0.660 peak   306 weight  1.00000E+00 volume  1.84222E+06 ppm1      1.001 ppm2      2.044



 ASSI {  307}

   (( segid "   A" and resid 10   and name  HB  ))

   (  segid "   A" and resid 10   and name  HG2#)

      2.389     0.713     0.713 peak   307 weight  1.00000E+00 volume  3.09442E+05 ppm1      0.887 ppm2      2.048



 ASSI {  308}

   (  segid "   A" and resid 10   and name  HG1#)

   (  segid "   A" and resid 10   and name  HG2#)

      2.189     0.599     0.599 peak   308 weight  1.00000E+00 volume  6.96904E+05 ppm1      0.885 ppm2      0.997



 ASSI {  309}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 17   and name  HA  ))

      2.657     0.882     0.882 peak   309 weight  1.00000E+00 volume  1.49872E+05 ppm1      8.794 ppm2      4.688



 ASSI {  310}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 17   and name  HB2 ))

      3.055     1.167     1.167 peak   310 weight  1.00000E+00 volume  7.93887E+04 ppm1      8.794 ppm2      3.389



 ASSI {  311}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 17   and name  HB1 ))

      2.852     1.017     1.017 peak   311 weight  1.00000E+00 volume  5.03987E+05 ppm1      8.792 ppm2      3.320



 ASSI {  315}

   (( segid "   A" and resid 17   and name  HA  ))

   (( segid "   A" and resid 17   and name  HB2 ))

      2.910     1.059     1.059 peak   315 weight  1.00000E+00 volume  1.09864E+05 ppm1      4.686 ppm2      3.390



 ASSI {  316}

   (( segid "   A" and resid 17   and name  HA  ))

   (( segid "   A" and resid 17   and name  HB1 ))

      7.625     7.267     7.267 peak   316 weight  1.00000E+00 volume  -1.38040E+03 ppm1      4.685 ppm2      3.345



 ASSI {  318}

   (( segid "   A" and resid 17   and name  HB2 ))

   (( segid "   A" and resid 17   and name  HB1 ))

      2.129     0.567     0.567 peak   318 weight  1.00000E+00 volume  2.90940E+06 ppm1      3.394 ppm2      3.318



 ASSI {  321}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 17   and name  HA  ))

      2.868     1.028     1.028 peak   321 weight  1.00000E+00 volume  4.87886E+05 ppm1      4.686 ppm2      8.801



 ASSI {  322}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 17   and name  HB2 ))

      3.229     1.303     1.303 peak   322 weight  1.00000E+00 volume  2.39271E+05 ppm1      3.386 ppm2      8.800



 ASSI {  323}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 17   and name  HB1 ))

      3.041     1.156     1.156 peak   323 weight  1.00000E+00 volume  5.12187E+04 ppm1      3.324 ppm2      8.797



 ASSI {  324}

   (( segid "   A" and resid 17   and name  HA  ))

   (( segid "   A" and resid 17   and name  HB2 ))

      2.916     1.063     1.063 peak   324 weight  1.00000E+00 volume  4.41408E+05 ppm1      3.391 ppm2      4.691



 ASSI {  325}

   (( segid "   A" and resid 17   and name  HA  ))

   (( segid "   A" and resid 17   and name  HB1 ))

      2.957     1.093     1.093 peak   325 weight  1.00000E+00 volume  4.05750E+05 ppm1      3.321 ppm2      4.685



 ASSI {  326}

   (( segid "   A" and resid 17   and name  HB2 ))

   (( segid "   A" and resid 17   and name  HB1 ))

      2.014     0.507     0.507 peak   326 weight  1.00000E+00 volume  4.06189E+06 ppm1      3.326 ppm2      3.387



 ASSI {  327}

   (( segid "   A" and resid 19   and name  HN  ))

   (( segid "   A" and resid 19   and name  HA  ))

      3.084     1.189     1.189 peak   327 weight  1.00000E+00 volume  6.75198E+04 ppm1      7.929 ppm2      4.838



 ASSI {  328}

   (( segid "   A" and resid 19   and name  HN  ))

   (( segid "   A" and resid 19   and name  HB2 ))

      3.250     1.321     1.321 peak   328 weight  1.00000E+00 volume  2.30015E+05 ppm1      7.931 ppm2      3.274



 ASSI {  329}

   (( segid "   A" and resid 19   and name  HN  ))

   (( segid "   A" and resid 19   and name  HB1 ))

      2.888     1.043     1.043 peak   329 weight  1.00000E+00 volume  7.92862E+04 ppm1      7.930 ppm2      2.766



 ASSI {  332}

   (( segid "   A" and resid 19   and name  HB2 ))

   (( segid "   A" and resid 19   and name  HB1 ))

      2.088     0.545     0.545 peak   332 weight  1.00000E+00 volume  3.27322E+06 ppm1      3.263 ppm2      2.767



 ASSI {  334}

   (( segid "   A" and resid 19   and name  HN  ))

   (( segid "   A" and resid 19   and name  HB2 ))

      3.045     1.159     1.159 peak   334 weight  1.00000E+00 volume  3.40036E+05 ppm1      3.277 ppm2      7.935



 ASSI {  335}

   (( segid "   A" and resid 19   and name  HN  ))

   (( segid "   A" and resid 19   and name  HB1 ))

      2.955     1.091     1.091 peak   335 weight  1.00000E+00 volume  4.61542E+04 ppm1      2.777 ppm2      7.933



 ASSI {  337}

   (( segid "   A" and resid 1    and name  HA  ))

   (( segid "   A" and resid 1    and name  HB  ))

      2.835     1.005     1.005 peak   337 weight  1.00000E+00 volume  5.22689E+05 ppm1      3.864 ppm2      1.969



 ASSI {  338}

   (( segid "   A" and resid 1    and name  HA  ))

   (( segid "   A" and resid 1    and name  HG12))

      3.949     1.949     1.949 peak   338 weight  1.00000E+00 volume  2.00523E+04 ppm1      3.863 ppm2      1.489



 ASSI {  339}

   (( segid "   A" and resid 1    and name  HA  ))

   (( segid "   A" and resid 1    and name  HG11))

      3.913     1.914     1.914 peak   339 weight  1.00000E+00 volume  1.61136E+04 ppm1      3.864 ppm2      1.222



 ASSI {  341}

   (( segid "   A" and resid 1    and name  HB  ))

   (( segid "   A" and resid 1    and name  HG11))

      3.586     1.608     1.608 peak   341 weight  1.00000E+00 volume  1.27474E+05 ppm1      1.964 ppm2      1.227



 ASSI {  342}

   (( segid "   A" and resid 1    and name  HA  ))

   (  segid "   A" and resid 1    and name  HD1#)

      3.521     1.549     1.549 peak   342 weight  1.00000E+00 volume  1.42424E+05 ppm1      3.865 ppm2      0.929



 ASSI {  343}

   (  segid "   A" and resid 1    and name  HG2#)

   (( segid "   A" and resid 1    and name  HB  ))

      3.093     1.196     1.196 peak   343 weight  1.00000E+00 volume  3.09815E+05 ppm1      1.966 ppm2      0.997



 ASSI {  344}

   (( segid "   A" and resid 1    and name  HB  ))

   (  segid "   A" and resid 1    and name  HD1#)

      3.890     1.891     1.891 peak   344 weight  1.00000E+00 volume  3.15973E+04 ppm1      1.969 ppm2      0.926



 ASSI {  346}

   (( segid "   A" and resid 1    and name  HG11))

   (  segid "   A" and resid 1    and name  HD1#)

      4.627     2.676     2.676 peak   346 weight  1.00000E+00 volume  -2.76403E+04 ppm1      1.205 ppm2      0.930



 ASSI {  348}

   (( segid "   A" and resid 1    and name  HA  ))

   (( segid "   A" and resid 1    and name  HB  ))

      2.920     1.066     1.066 peak   348 weight  1.00000E+00 volume  4.37763E+05 ppm1      1.966 ppm2      3.862



 ASSI {  349}

   (( segid "   A" and resid 1    and name  HA  ))

   (( segid "   A" and resid 1    and name  HG12))

      3.981     1.981     1.981 peak   349 weight  1.00000E+00 volume  6.81872E+04 ppm1      1.483 ppm2      3.862



 ASSI {  350}

   (( segid "   A" and resid 1    and name  HA  ))

   (( segid "   A" and resid 1    and name  HG11))

      3.738     1.746     1.746 peak   350 weight  1.00000E+00 volume  1.93739E+04 ppm1      1.219 ppm2      3.866



 ASSI {  351}

   (( segid "   A" and resid 1    and name  HA  ))

   (  segid "   A" and resid 1    and name  HG2#)

      2.626     0.862     0.862 peak   351 weight  1.00000E+00 volume  9.07167E+04 ppm1      0.990 ppm2      3.861



 ASSI {  352}

   (( segid "   A" and resid 1    and name  HB  ))

   (( segid "   A" and resid 1    and name  HG12))

      3.276     1.342     1.342 peak   352 weight  1.00000E+00 volume  2.19335E+05 ppm1      1.492 ppm2      1.968



 ASSI {  353}

   (( segid "   A" and resid 1    and name  HB  ))

   (( segid "   A" and resid 1    and name  HG11))

      3.444     1.482     1.482 peak   353 weight  1.00000E+00 volume  1.62682E+05 ppm1      1.227 ppm2      1.962



 ASSI {  354}

   (  segid "   A" and resid 1    and name  HG2#)

   (( segid "   A" and resid 1    and name  HB  ))

      2.616     0.856     0.856 peak   354 weight  1.00000E+00 volume  1.81533E+05 ppm1      0.995 ppm2      1.966



 ASSI {  355}

   (( segid "   A" and resid 1    and name  HB  ))

   (  segid "   A" and resid 1    and name  HD1#)

      3.102     1.203     1.203 peak   355 weight  1.00000E+00 volume  3.04192E+05 ppm1      0.927 ppm2      1.961



 ASSI {  357}

   (( segid "   A" and resid 1    and name  HG12))

   (( segid "   A" and resid 1    and name  HG11))

      2.538     0.805     0.805 peak   357 weight  1.00000E+00 volume  1.01506E+06 ppm1      1.491 ppm2      1.225



 ASSI {  358}

   (( segid "   A" and resid 1    and name  HG12))

   (( segid "   A" and resid 1    and name  HG11))

      2.565     0.823     0.823 peak   358 weight  1.00000E+00 volume  2.71115E+05 ppm1      1.216 ppm2      1.489



 ASSI {  359}

   (( segid "   A" and resid 4    and name  HN  ))

   (( segid "   A" and resid 5    and name  HN  ))

      2.886     1.041     1.041 peak   359 weight  1.00000E+00 volume  4.69801E+05 ppm1      8.899 ppm2      8.504



 ASSI {  360}

   (( segid "   A" and resid 4    and name  HN  ))

   (( segid "   A" and resid 6    and name  HN  ))

      4.568     2.608     2.608 peak   360 weight  1.00000E+00 volume  2.98561E+04 ppm1      8.899 ppm2      8.171



 ASSI {  362}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 19   and name  HN  ))

      4.493     2.524     2.524 peak   362 weight  1.00000E+00 volume  1.52463E+04 ppm1      8.802 ppm2      7.937



 ASSI {  364}

   (( segid "   A" and resid 18   and name  HN  ))

   (( segid "   A" and resid 17   and name  HN  ))

      2.832     1.003     1.003 peak   364 weight  1.00000E+00 volume  1.50334E+05 ppm1      8.793 ppm2      7.630



 ASSI {  365}

   (( segid "   A" and resid 5    and name  HN  ))

   (( segid "   A" and resid 6    and name  HN  ))

      2.850     1.016     1.016 peak   365 weight  1.00000E+00 volume  2.43347E+05 ppm1      8.508 ppm2      8.169



 ASSI {  366}

   (( segid "   A" and resid 5    and name  HN  ))

   (( segid "   A" and resid 7    and name  HN  ))

      4.102     2.103     2.103 peak   366 weight  1.00000E+00 volume  1.53949E+04 ppm1      8.509 ppm2      7.847



 ASSI {  368}

   (( segid "   A" and resid 3    and name  HN  ))

   (( segid "   A" and resid 4    and name  HN  ))

      2.938     1.079     1.079 peak   368 weight  1.00000E+00 volume  4.21815E+05 ppm1      8.898 ppm2      8.780



 ASSI {  370}

   (( segid "   A" and resid 8    and name  HN  ))

   (( segid "   A" and resid 12   and name  HN  ))

      4.082     2.083     2.083 peak   370 weight  1.00000E+00 volume  2.08945E+04 ppm1      8.529 ppm2      7.962



 ASSI {  371}

   (( segid "   A" and resid 11   and name  HN  ))

   (( segid "   A" and resid 12   and name  HN  ))

      2.696     0.909     0.909 peak   371 weight  1.00000E+00 volume  7.06346E+05 ppm1      8.530 ppm2      7.662



 ASSI {  372}

   (( segid "   A" and resid 12   and name  HN  ))

   (( segid "   A" and resid 10   and name  HN  ))

      3.731     1.740     1.740 peak   372 weight  1.00000E+00 volume  4.56166E+04 ppm1      8.530 ppm2      7.490



 ASSI {  373}

   (( segid "   A" and resid 12   and name  HN  ))

   (( segid "   A" and resid 13   and name  HN  ))

      2.845     1.012     1.012 peak   373 weight  1.00000E+00 volume  1.96806E+05 ppm1      8.530 ppm2      7.397



 ASSI {  374}

   (( segid "   A" and resid 6    and name  HN  ))

   (( segid "   A" and resid 7    and name  HN  ))

      2.824     0.997     0.997 peak   374 weight  1.00000E+00 volume  5.34412E+05 ppm1      8.170 ppm2      7.852



 ASSI {  375}

   (( segid "   A" and resid 7    and name  HN  ))

   (( segid "   A" and resid 8    and name  HN  ))

      2.671     0.892     0.892 peak   375 weight  1.00000E+00 volume  1.85949E+05 ppm1      7.969 ppm2      7.854



 ASSI {  376}

   (( segid "   A" and resid 18   and name  HN  ))

   (( segid "   A" and resid 19   and name  HN  ))

      2.714     0.921     0.921 peak   376 weight  1.00000E+00 volume  6.78232E+05 ppm1      7.930 ppm2      7.629



 ASSI {  377}

   (( segid "   A" and resid 11   and name  HN  ))

   (( segid "   A" and resid 10   and name  HN  ))

      2.515     0.790     0.790 peak   377 weight  1.00000E+00 volume  4.25896E+05 ppm1      7.663 ppm2      7.490



 ASSI {  378}

   (( segid "   A" and resid 5    and name  HN  ))

   (( segid "   A" and resid 6    and name  HN  ))

      2.818     0.993     0.993 peak   378 weight  1.00000E+00 volume  1.62333E+05 ppm1      8.169 ppm2      8.505



 ASSI {  379}

   (( segid "   A" and resid 4    and name  HN  ))

   (( segid "   A" and resid 6    and name  HN  ))

      3.999     1.999     1.999 peak   379 weight  1.00000E+00 volume  6.63180E+04 ppm1      8.170 ppm2      8.897



 ASSI {  380}

   (( segid "   A" and resid 6    and name  HN  ))

   (( segid "   A" and resid 7    and name  HN  ))

      2.841     1.009     1.009 peak   380 weight  1.00000E+00 volume  5.15937E+05 ppm1      7.849 ppm2      8.169



 ASSI {  381}

   (( segid "   A" and resid 7    and name  HN  ))

   (( segid "   A" and resid 8    and name  HN  ))

      2.576     0.829     0.829 peak   381 weight  1.00000E+00 volume  9.28382E+05 ppm1      7.849 ppm2      7.962



 ASSI {  382}

   (( segid "   A" and resid 5    and name  HN  ))

   (( segid "   A" and resid 7    and name  HN  ))

      3.810     1.814     1.814 peak   382 weight  1.00000E+00 volume  8.87309E+04 ppm1      7.850 ppm2      8.500



 ASSI {  383}

   (( segid "   A" and resid 8    and name  HN  ))

   (( segid "   A" and resid 12   and name  HN  ))

      3.672     1.685     1.685 peak   383 weight  1.00000E+00 volume  1.10656E+05 ppm1      7.965 ppm2      8.525



 ASSI {  384}

   (( segid "   A" and resid 18   and name  HN  ))

   (( segid "   A" and resid 19   and name  HN  ))

      2.691     0.905     0.905 peak   384 weight  1.00000E+00 volume  1.57006E+05 ppm1      7.629 ppm2      7.933



 ASSI {  385}

   (( segid "   A" and resid 6    and name  HN  ))

   (( segid "   A" and resid 8    and name  HN  ))

      3.676     1.689     1.689 peak   385 weight  1.00000E+00 volume  2.62682E+04 ppm1      7.968 ppm2      8.167



 ASSI {  386}

   (( segid "   A" and resid 11   and name  HN  ))

   (( segid "   A" and resid 10   and name  HN  ))

      2.580     0.832     0.832 peak   386 weight  1.00000E+00 volume  2.04364E+05 ppm1      7.490 ppm2      7.663



 ASSI {  387}

   (( segid "   A" and resid 4    and name  HN  ))

   (( segid "   A" and resid 5    and name  HN  ))

      2.785     0.970     0.970 peak   387 weight  1.00000E+00 volume  2.23759E+05 ppm1      8.506 ppm2      8.897



 ASSI {  388}

   (( segid "   A" and resid 8    and name  HA  ))

   (( segid "   A" and resid 10   and name  HN  ))

      3.664     1.678     1.678 peak   388 weight  1.00000E+00 volume  1.12202E+05 ppm1      7.494 ppm2      5.304



 ASSI {  389}

   (( segid "   A" and resid 8    and name  HA  ))

   (( segid "   A" and resid 9    and name  HD2 ))

      2.372     0.704     0.704 peak   389 weight  1.00000E+00 volume  1.52142E+06 ppm1      5.302 ppm2      4.043



 ASSI {  391}

   (( segid "   A" and resid 9    and name  HA  ))

   (( segid "   A" and resid 9    and name  HD2 ))

      3.521     1.550     1.550 peak   391 weight  1.00000E+00 volume  -4.93301E+03 ppm1      4.134 ppm2      4.046



 ASSI {  392}

   (( segid "   A" and resid 9    and name  HB1 ))

   (( segid "   A" and resid 9    and name  HA  ))

      2.470     0.763     0.763 peak   392 weight  1.00000E+00 volume  1.19423E+06 ppm1      4.128 ppm2      2.399



 ASSI {  393}

   (( segid "   A" and resid 12   and name  HG2 ))

   (( segid "   A" and resid 9    and name  HA  ))

      2.587     0.837     0.837 peak   393 weight  1.00000E+00 volume  1.82266E+05 ppm1      4.129 ppm2      2.032

 OR {  393}

   (( segid "   A" and resid 11   and name  HB2 ))

   (( segid "   A" and resid 12   and name  HG2 ))



 ASSI {  394}

   (( segid "   A" and resid 9    and name  HA  ))

   (( segid "   A" and resid 9    and name  HG2 ))

      3.445     1.484     1.484 peak   394 weight  1.00000E+00 volume  3.97148E+04 ppm1      4.129 ppm2      2.146



 ASSI {  395}

   (( segid "   A" and resid 9    and name  HA  ))

   (( segid "   A" and resid 9    and name  HD1 ))

      3.369     1.419     1.419 peak   395 weight  1.00000E+00 volume  1.85372E+05 ppm1      4.128 ppm2      3.954



 ASSI {  397}

   (( segid "   A" and resid 9    and name  HD2 ))

   (( segid "   A" and resid 9    and name  HD1 ))

      2.027     0.514     0.514 peak   397 weight  1.00000E+00 volume  7.01851E+05 ppm1      4.038 ppm2      3.953



 ASSI {  398}

   (( segid "   A" and resid 9    and name  HB1 ))

   (( segid "   A" and resid 9    and name  HD2 ))

      3.459     1.496     1.496 peak   398 weight  1.00000E+00 volume  1.58319E+05 ppm1      4.041 ppm2      2.399



 ASSI {  399}

   (( segid "   A" and resid 9    and name  HD2 ))

   (( segid "   A" and resid 9    and name  HG2 ))

      2.894     1.047     1.047 peak   399 weight  1.00000E+00 volume  4.61530E+05 ppm1      4.041 ppm2      2.148



 ASSI {  400}

   (( segid "   A" and resid 9    and name  HB2 ))

   (( segid "   A" and resid 9    and name  HA  ))

      2.787     0.971     0.971 peak   400 weight  1.00000E+00 volume  7.00206E+04 ppm1      4.132 ppm2      2.076



 ASSI {  401}

   (( segid "   A" and resid 9    and name  HB2 ))

   (( segid "   A" and resid 9    and name  HD2 ))

      2.771     0.960     0.960 peak   401 weight  1.00000E+00 volume  5.98983E+05 ppm1      4.042 ppm2      2.068



 ASSI {  403}

   (( segid "   A" and resid 9    and name  HB1 ))

   (( segid "   A" and resid 9    and name  HD1 ))

      3.576     1.599     1.599 peak   403 weight  1.00000E+00 volume  1.29619E+05 ppm1      3.960 ppm2      2.397



 ASSI {  404}

   (( segid "   A" and resid 9    and name  HD1 ))

   (( segid "   A" and resid 9    and name  HG2 ))

      2.716     0.922     0.922 peak   404 weight  1.00000E+00 volume  1.33516E+05 ppm1      3.955 ppm2      2.150



 ASSI {  405}

   (( segid "   A" and resid 9    and name  HB2 ))

   (( segid "   A" and resid 9    and name  HD1 ))

      2.706     0.915     0.915 peak   405 weight  1.00000E+00 volume  6.90690E+05 ppm1      3.956 ppm2      2.073



 ASSI {  407}

   (( segid "   A" and resid 9    and name  HB1 ))

   (( segid "   A" and resid 9    and name  HG2 ))

      2.974     1.106     1.106 peak   407 weight  1.00000E+00 volume  3.91905E+05 ppm1      2.398 ppm2      2.147



 ASSI {  408}

   (( segid "   A" and resid 9    and name  HB2 ))

   (( segid "   A" and resid 9    and name  HB1 ))

      2.394     0.716     0.716 peak   408 weight  1.00000E+00 volume  1.44269E+06 ppm1      2.398 ppm2      2.067



 ASSI {  410}

   (( segid "   A" and resid 9    and name  HB2 ))

   (( segid "   A" and resid 9    and name  HG2 ))

      2.154     0.580     0.580 peak   410 weight  1.00000E+00 volume  2.71562E+06 ppm1      2.139 ppm2      2.071



 ASSI {  412}

   (( segid "   A" and resid 11   and name  HB2 ))

   (( segid "   A" and resid 11   and name  HB1 ))

      2.244     0.629     0.629 peak   412 weight  1.00000E+00 volume  2.12671E+06 ppm1      3.305 ppm2      4.134



 ASSI {  413}

   (( segid "   A" and resid 9    and name  HB1 ))

   (( segid "   A" and resid 9    and name  HA  ))

      2.534     0.803     0.803 peak   413 weight  1.00000E+00 volume  2.48801E+05 ppm1      2.397 ppm2      4.135



 ASSI {  414}

   (( segid "   A" and resid 9    and name  HA  ))

   (( segid "   A" and resid 9    and name  HG2 ))

      3.391     1.438     1.438 peak   414 weight  1.00000E+00 volume  1.78264E+05 ppm1      2.145 ppm2      4.135



 ASSI {  415}

   (( segid "   A" and resid 9    and name  HB2 ))

   (( segid "   A" and resid 9    and name  HA  ))

      3.006     1.130     1.130 peak   415 weight  1.00000E+00 volume  8.29251E+04 ppm1      2.074 ppm2      4.136



 ASSI {  416}

   (( segid "   A" and resid 9    and name  HB2 ))

   (( segid "   A" and resid 9    and name  HD2 ))

      2.916     1.063     1.063 peak   416 weight  1.00000E+00 volume  4.41354E+05 ppm1      2.079 ppm2      4.044



 ASSI {  417}

   (( segid "   A" and resid 9    and name  HD2 ))

   (( segid "   A" and resid 9    and name  HG2 ))

      2.891     1.044     1.044 peak   417 weight  1.00000E+00 volume  4.65095E+05 ppm1      2.148 ppm2      4.045



 ASSI {  418}

   (( segid "   A" and resid 9    and name  HB1 ))

   (( segid "   A" and resid 9    and name  HD2 ))

      3.765     1.772     1.772 peak   418 weight  1.00000E+00 volume  9.52766E+04 ppm1      2.390 ppm2      4.042



 ASSI {  419}

   (( segid "   A" and resid 9    and name  HD2 ))

   (( segid "   A" and resid 9    and name  HD1 ))

      1.848     0.427     0.427 peak   419 weight  1.00000E+00 volume  6.82089E+06 ppm1      3.960 ppm2      4.040



 ASSI {  420}

   (( segid "   A" and resid 9    and name  HB1 ))

   (( segid "   A" and resid 9    and name  HD1 ))

      3.653     1.668     1.668 peak   420 weight  1.00000E+00 volume  1.14153E+05 ppm1      2.396 ppm2      3.955



 ASSI {  421}

   (( segid "   A" and resid 9    and name  HD1 ))

   (( segid "   A" and resid 9    and name  HG2 ))

      2.733     0.934     0.934 peak   421 weight  1.00000E+00 volume  6.50981E+05 ppm1      2.148 ppm2      3.954



 ASSI {  422}

   (( segid "   A" and resid 9    and name  HB2 ))

   (( segid "   A" and resid 9    and name  HD1 ))

      2.942     1.082     1.082 peak   422 weight  1.00000E+00 volume  7.46630E+04 ppm1      2.075 ppm2      3.953



 ASSI {  423}

   (( segid "   A" and resid 9    and name  HB1 ))

   (( segid "   A" and resid 9    and name  HG2 ))

      2.705     0.915     0.915 peak   423 weight  1.00000E+00 volume  1.07499E+05 ppm1      2.148 ppm2      2.401



 ASSI {  424}

   (( segid "   A" and resid 9    and name  HB2 ))

   (( segid "   A" and resid 9    and name  HB1 ))

      2.592     0.840     0.840 peak   424 weight  1.00000E+00 volume  1.45987E+05 ppm1      2.070 ppm2      2.401



 ASSI {  425}

   (( segid "   A" and resid 9    and name  HB2 ))

   (( segid "   A" and resid 9    and name  HG2 ))

      2.091     0.547     0.547 peak   425 weight  1.00000E+00 volume  4.67652E+05 ppm1      2.077 ppm2      2.147



 ASSI {  426}

   (( segid "   A" and resid 16   and name  HA  ))

   (( segid "   A" and resid 16   and name  HD22))

      3.848     1.851     1.851 peak   426 weight  1.00000E+00 volume  8.35751E+04 ppm1      4.529 ppm2      3.523



 ASSI {  427}

   (( segid "   A" and resid 16   and name  HA  ))

   (( segid "   A" and resid 16   and name  HB2 ))

      2.320     0.673     0.673 peak   427 weight  1.00000E+00 volume  1.73979E+06 ppm1      4.528 ppm2      2.218



 ASSI {  428}

   (( segid "   A" and resid 16   and name  HA  ))

   (( segid "   A" and resid 16   and name  HB3 ))

      2.611     0.852     0.852 peak   428 weight  1.00000E+00 volume  2.51728E+05 ppm1      4.528 ppm2      1.907



 ASSI {  430}

   (( segid "   A" and resid 16   and name  HG  ))

   (( segid "   A" and resid 16   and name  HD1 ))

      2.688     0.903     0.903 peak   430 weight  1.00000E+00 volume  2.15331E+05 ppm1      4.334 ppm2      3.804



 ASSI {  431}

   (( segid "   A" and resid 16   and name  HD22))

   (( segid "   A" and resid 16   and name  HG  ))

      2.840     1.008     1.008 peak   431 weight  1.00000E+00 volume  1.49185E+05 ppm1      4.334 ppm2      3.525



 ASSI {  432}

   (( segid "   A" and resid 16   and name  HB2 ))

   (( segid "   A" and resid 16   and name  HG  ))

      2.884     1.040     1.040 peak   432 weight  1.00000E+00 volume  1.24707E+05 ppm1      4.334 ppm2      2.217



 ASSI {  433}

   (( segid "   A" and resid 16   and name  HB3 ))

   (( segid "   A" and resid 16   and name  HG  ))

      2.632     0.866     0.866 peak   433 weight  1.00000E+00 volume  8.16784E+05 ppm1      4.334 ppm2      1.905



 ASSI {  435}

   (( segid "   A" and resid 16   and name  HD22))

   (( segid "   A" and resid 16   and name  HD1 ))

      2.059     0.530     0.530 peak   435 weight  1.00000E+00 volume  3.56099E+06 ppm1      3.798 ppm2      3.524



 ASSI {  436}

   (( segid "   A" and resid 16   and name  HB2 ))

   (( segid "   A" and resid 16   and name  HD1 ))

      3.593     1.614     1.614 peak   436 weight  1.00000E+00 volume  3.34300E+04 ppm1      3.799 ppm2      2.217



 ASSI {  437}

   (( segid "   A" and resid 16   and name  HB3 ))

   (( segid "   A" and resid 16   and name  HD1 ))

      3.210     1.288     1.288 peak   437 weight  1.00000E+00 volume  2.48074E+05 ppm1      3.797 ppm2      1.906



 ASSI {  440}

   (( segid "   A" and resid 16   and name  HD22))

   (( segid "   A" and resid 16   and name  HB2 ))

      3.404     1.448     1.448 peak   440 weight  1.00000E+00 volume  1.74429E+05 ppm1      3.528 ppm2      2.218



 ASSI {  441}

   (( segid "   A" and resid 16   and name  HD22))

   (( segid "   A" and resid 16   and name  HB3 ))

      3.485     1.518     1.518 peak   441 weight  1.00000E+00 volume  3.17777E+04 ppm1      3.528 ppm2      1.905



 ASSI {  443}

   (( segid "   A" and resid 16   and name  HB2 ))

   (( segid "   A" and resid 16   and name  HB3 ))

      2.131     0.568     0.568 peak   443 weight  1.00000E+00 volume  6.35764E+05 ppm1      2.217 ppm2      1.906



 ASSI {  445}

   (( segid "   A" and resid 16   and name  HB2 ))

   (( segid "   A" and resid 16   and name  HB3 ))

      2.137     0.571     0.571 peak   445 weight  1.00000E+00 volume  5.71871E+05 ppm1      1.905 ppm2      2.217



 ASSI {  446}

   (( segid "   A" and resid 16   and name  HD22))

   (( segid "   A" and resid 16   and name  HB3 ))

      3.669     1.683     1.683 peak   446 weight  1.00000E+00 volume  2.79437E+04 ppm1      1.912 ppm2      3.525



 ASSI {  448}

   (( segid "   A" and resid 16   and name  HD22))

   (( segid "   A" and resid 16   and name  HB2 ))

      3.380     1.428     1.428 peak   448 weight  1.00000E+00 volume  1.82088E+05 ppm1      2.217 ppm2      3.525



 ASSI {  449}

   (( segid "   A" and resid 16   and name  HB3 ))

   (( segid "   A" and resid 16   and name  HD1 ))

      3.277     1.342     1.342 peak   449 weight  1.00000E+00 volume  2.19035E+05 ppm1      1.898 ppm2      3.803



 ASSI {  450}

   (( segid "   A" and resid 16   and name  HB2 ))

   (( segid "   A" and resid 16   and name  HD1 ))

      3.590     1.611     1.611 peak   450 weight  1.00000E+00 volume  1.26794E+05 ppm1      2.217 ppm2      3.805



 ASSI {  451}

   (( segid "   A" and resid 16   and name  HD22))

   (( segid "   A" and resid 16   and name  HD1 ))

      2.146     0.576     0.576 peak   451 weight  1.00000E+00 volume  7.36819E+05 ppm1      3.528 ppm2      3.805



 ASSI {  452}

   (( segid "   A" and resid 16   and name  HG  ))

   (( segid "   A" and resid 16   and name  HD1 ))

      2.935     1.077     1.077 peak   452 weight  1.00000E+00 volume  4.24139E+05 ppm1      3.797 ppm2      4.328



 ASSI {  453}

   (( segid "   A" and resid 16   and name  HD22))

   (( segid "   A" and resid 16   and name  HG  ))

      3.401     1.446     1.446 peak   453 weight  1.00000E+00 volume  1.75344E+05 ppm1      3.520 ppm2      4.325



 ASSI {  454}

   (( segid "   A" and resid 16   and name  HB2 ))

   (( segid "   A" and resid 16   and name  HG  ))

      3.121     1.218     1.218 peak   454 weight  1.00000E+00 volume  2.93257E+05 ppm1      2.217 ppm2      4.331



 ASSI {  455}

   (( segid "   A" and resid 16   and name  HB3 ))

   (( segid "   A" and resid 16   and name  HG  ))

      2.815     0.990     0.990 peak   455 weight  1.00000E+00 volume  9.92611E+04 ppm1      1.901 ppm2      4.335



 ASSI {  456}

   (( segid "   A" and resid 3    and name  HA  ))

   (( segid "   A" and resid 4    and name  HN  ))

      2.355     0.693     0.693 peak   456 weight  1.00000E+00 volume  1.59108E+06 ppm1      8.900 ppm2      4.603



 ASSI {  457}

   (( segid "   A" and resid 2    and name  HA  ))

   (( segid "   A" and resid 4    and name  HN  ))

      4.324     2.337     2.337 peak   457 weight  1.00000E+00 volume  4.14905E+04 ppm1      8.895 ppm2      4.348



 ASSI {  458}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 16   and name  HA  ))

      2.605     0.848     0.848 peak   458 weight  1.00000E+00 volume  8.67859E+05 ppm1      8.794 ppm2      4.531



 ASSI {  460}

   (( segid "   A" and resid 3    and name  HA  ))

   (( segid "   A" and resid 5    and name  HN  ))

      3.443     1.481     1.481 peak   460 weight  1.00000E+00 volume  1.62960E+05 ppm1      8.508 ppm2      4.603



 ASSI {  462}

   (( segid "   A" and resid 3    and name  HA  ))

   (( segid "   A" and resid 6    and name  HN  ))

      3.812     1.816     1.816 peak   462 weight  1.00000E+00 volume  8.84387E+04 ppm1      8.168 ppm2      4.605



 ASSI {  463}

   (( segid "   A" and resid 4    and name  HA  ))

   (( segid "   A" and resid 5    and name  HN  ))

      2.725     0.928     0.928 peak   463 weight  1.00000E+00 volume  2.29423E+05 ppm1      8.508 ppm2      4.232



 ASSI {  464}

   (( segid "   A" and resid 11   and name  HB2 ))

   (( segid "   A" and resid 12   and name  HN  ))

      2.871     1.030     1.030 peak   464 weight  1.00000E+00 volume  1.42818E+05 ppm1      8.530 ppm2      4.134



 ASSI {  465}

   (( segid "   A" and resid 11   and name  HA  ))

   (( segid "   A" and resid 12   and name  HN  ))

      3.052     1.164     1.164 peak   465 weight  1.00000E+00 volume  9.76663E+04 ppm1      8.530 ppm2      4.207



 ASSI {  466}

   (( segid "   A" and resid 18   and name  HA  ))

   (( segid "   A" and resid 19   and name  HN  ))

      2.878     1.035     1.035 peak   466 weight  1.00000E+00 volume  1.41199E+05 ppm1      7.930 ppm2      4.232



 ASSI {  467}

   (( segid "   A" and resid 7    and name  HA  ))

   (( segid "   A" and resid 8    and name  HN  ))

      3.318     1.376     1.376 peak   467 weight  1.00000E+00 volume  6.42332E+04 ppm1      7.969 ppm2      4.513



 ASSI {  468}

   (( segid "   A" and resid 7    and name  HB2 ))

   (( segid "   A" and resid 8    and name  HN  ))

      3.521     1.550     1.550 peak   468 weight  1.00000E+00 volume  1.42381E+05 ppm1      7.970 ppm2      4.021



 ASSI {  469}

   (( segid "   A" and resid 7    and name  HB1 ))

   (( segid "   A" and resid 8    and name  HN  ))

      3.490     1.523     1.523 peak   469 weight  1.00000E+00 volume  1.50027E+05 ppm1      7.970 ppm2      3.970



 ASSI {  470}

   (( segid "   A" and resid 2    and name  HN  ))

   (( segid "   A" and resid 1    and name  HA  ))

      2.389     0.713     0.713 peak   470 weight  1.00000E+00 volume  1.46054E+06 ppm1      8.791 ppm2      3.863



 ASSI {  471}

   (( segid "   A" and resid 12   and name  HG2 ))

   (( segid "   A" and resid 13   and name  HN  ))

      3.149     1.240     1.240 peak   471 weight  1.00000E+00 volume  5.80176E+04 ppm1      7.401 ppm2      2.020



 ASSI {  472}

   (( segid "   A" and resid 12   and name  HG1 ))

   (( segid "   A" and resid 13   and name  HN  ))

      2.954     1.091     1.091 peak   472 weight  1.00000E+00 volume  8.48681E+04 ppm1      7.401 ppm2      1.858



 ASSI {  473}

   (( segid "   A" and resid 12   and name  HB2 ))

   (( segid "   A" and resid 12   and name  HE  ))

      3.620     1.638     1.638 peak   473 weight  1.00000E+00 volume  2.08807E+04 ppm1      7.399 ppm2      1.730



 ASSI {  474}

   (( segid "   A" and resid 12   and name  HB1 ))

   (( segid "   A" and resid 13   and name  HN  ))

      3.510     1.540     1.540 peak   474 weight  1.00000E+00 volume  1.45125E+05 ppm1      7.397 ppm2      1.598



 ASSI {  475}

   (( segid "   A" and resid 11   and name  HN  ))

   (( segid "   A" and resid 10   and name  HB  ))

      2.634     0.867     0.867 peak   475 weight  1.00000E+00 volume  1.93423E+05 ppm1      7.663 ppm2      2.047



 ASSI {  476}

   (( segid "   A" and resid 10   and name  HN  ))

   (( segid "   A" and resid 9    and name  HG2 ))

      3.202     1.282     1.282 peak   476 weight  1.00000E+00 volume  2.51576E+05 ppm1      7.490 ppm2      2.151



 ASSI {  477}

   (( segid "   A" and resid 18   and name  HB  ))

   (( segid "   A" and resid 19   and name  HN  ))

      3.213     1.290     1.290 peak   477 weight  1.00000E+00 volume  2.46777E+05 ppm1      7.928 ppm2      2.196



 ASSI {  478}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 16   and name  HB2 ))

      3.297     1.359     1.359 peak   478 weight  1.00000E+00 volume  2.11230E+05 ppm1      8.794 ppm2      2.212



 ASSI {  479}

   (( segid "   A" and resid 2    and name  HN  ))

   (( segid "   A" and resid 1    and name  HB  ))

      3.058     1.169     1.169 peak   479 weight  1.00000E+00 volume  7.07990E+04 ppm1      8.793 ppm2      1.972



 ASSI {  480}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 16   and name  HB3 ))

      3.345     1.398     1.398 peak   480 weight  1.00000E+00 volume  1.93807E+05 ppm1      8.798 ppm2      1.906



 ASSI {  481}

   (  segid "   A" and resid 18   and name  HG1#)

   (( segid "   A" and resid 19   and name  HN  ))

      3.202     1.282     1.282 peak   481 weight  1.00000E+00 volume  2.51528E+05 ppm1      7.931 ppm2      0.971



 ASSI {  482}

   (  segid "   A" and resid 18   and name  HG1#)

   (( segid "   A" and resid 15   and name  HD21))

      3.708     1.719     1.719 peak   482 weight  1.00000E+00 volume  1.04365E+05 ppm1      7.830 ppm2      0.974



 ASSI {  483}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 19   and name  HN  ))

      4.138     2.140     2.140 peak   483 weight  1.00000E+00 volume  5.40529E+04 ppm1      7.932 ppm2      8.796



 ASSI {  484}

   (( segid "   A" and resid 18   and name  HN  ))

   (( segid "   A" and resid 17   and name  HN  ))

      2.854     1.018     1.018 peak   484 weight  1.00000E+00 volume  5.02296E+05 ppm1      7.629 ppm2      8.798



 ASSI {  485}

   (( segid "   A" and resid 11   and name  HN  ))

   (( segid "   A" and resid 12   and name  HN  ))

      2.682     0.899     0.899 peak   485 weight  1.00000E+00 volume  7.29007E+05 ppm1      7.662 ppm2      8.527



 ASSI {  486}

   (( segid "   A" and resid 12   and name  HN  ))

   (( segid "   A" and resid 10   and name  HN  ))

      3.890     1.891     1.891 peak   486 weight  1.00000E+00 volume  2.13792E+04 ppm1      7.487 ppm2      8.525



 ASSI {  487}

   (( segid "   A" and resid 12   and name  HN  ))

   (( segid "   A" and resid 13   and name  HN  ))

      2.938     1.079     1.079 peak   487 weight  1.00000E+00 volume  4.22150E+05 ppm1      7.399 ppm2      8.528



 ASSI {  488}

   (( segid "   A" and resid 15   and name  HA  ))

   (( segid "   A" and resid 17   and name  HN  ))

      4.004     2.004     2.004 peak   488 weight  1.00000E+00 volume  1.88549E+04 ppm1      8.800 ppm2      5.151



 ASSI {  489}

   (( segid "   A" and resid 10   and name  HN  ))

   (( segid "   A" and resid 9    and name  HD1 ))

      3.130     1.225     1.225 peak   489 weight  1.00000E+00 volume  2.88296E+05 ppm1      7.491 ppm2      3.954



 ASSI {  490}

   (( segid "   A" and resid 10   and name  HN  ))

   (( segid "   A" and resid 9    and name  HD2 ))

      3.906     1.907     1.907 peak   490 weight  1.00000E+00 volume  7.63502E+04 ppm1      7.490 ppm2      4.043



 ASSI {  491}

   (( segid "   A" and resid 11   and name  HB2 ))

   (( segid "   A" and resid 10   and name  HN  ))

      3.481     1.514     1.514 peak   491 weight  1.00000E+00 volume  1.52595E+05 ppm1      7.492 ppm2      4.136



 ASSI {  492}

   (( segid "   A" and resid 5    and name  HA  ))

   (( segid "   A" and resid 8    and name  HB2 ))

      3.383     1.430     1.430 peak   492 weight  1.00000E+00 volume  1.81079E+05 ppm1      4.470 ppm2      3.213



 ASSI {  493}

   (( segid "   A" and resid 12   and name  HG1 ))

   (( segid "   A" and resid 9    and name  HA  ))

      2.947     1.086     1.086 peak   493 weight  1.00000E+00 volume  4.14029E+05 ppm1      4.131 ppm2      1.856



 ASSI {  494}

   (( segid "   A" and resid 12   and name  HB2 ))

   (( segid "   A" and resid 9    and name  HA  ))

      3.543     1.569     1.569 peak   494 weight  1.00000E+00 volume  1.37140E+05 ppm1      4.129 ppm2      1.728



 ASSI {  495}

   (( segid "   A" and resid 12   and name  HB1 ))

   (( segid "   A" and resid 9    and name  HA  ))

      3.524     1.553     1.553 peak   495 weight  1.00000E+00 volume  3.54155E+04 ppm1      4.129 ppm2      1.604



 ASSI {  496}

   (( segid "   A" and resid 13   and name  HB  ))

   (( segid "   A" and resid 10   and name  HA  ))

      3.334     1.390     1.390 peak   496 weight  1.00000E+00 volume  1.97404E+05 ppm1      3.747 ppm2      2.164



 ASSI {  497}

   (( segid "   A" and resid 15   and name  HB1 ))

   (( segid "   A" and resid 16   and name  HD22))

      3.653     1.668     1.668 peak   497 weight  1.00000E+00 volume  1.98298E+04 ppm1      3.523 ppm2      2.689



 ASSI {  498}

   (( segid "   A" and resid 15   and name  HB1 ))

   (( segid "   A" and resid 16   and name  HD1 ))

      3.546     1.572     1.572 peak   498 weight  1.00000E+00 volume  2.89212E+04 ppm1      3.797 ppm2      2.689



 ASSI {  499}

   (( segid "   A" and resid 12   and name  HA  ))

   (( segid "   A" and resid 15   and name  HB1 ))

      3.423     1.465     1.465 peak   499 weight  1.00000E+00 volume  1.68549E+05 ppm1      3.950 ppm2      2.695



 ASSI {  500}

   (( segid "   A" and resid 6    and name  HA  ))

   (( segid "   A" and resid 12   and name  HG2 ))

      2.961     1.096     1.096 peak   500 weight  1.00000E+00 volume  4.02634E+05 ppm1      4.368 ppm2      2.017



 ASSI {  501}

   (( segid "   A" and resid 18   and name  HB  ))

   (( segid "   A" and resid 15   and name  HB1 ))

      2.979     1.109     1.109 peak   501 weight  1.00000E+00 volume  3.88103E+05 ppm1      2.194 ppm2      2.686



 ASSI {  503}

   (( segid "   A" and resid 18   and name  HB  ))

   (( segid "   A" and resid 15   and name  HB1 ))

      3.293     1.356     1.356 peak   503 weight  1.00000E+00 volume  2.12569E+05 ppm1      2.681 ppm2      2.198



 ASSI {  504}

   (( segid "   A" and resid 1    and name  HB  ))

   (( segid "   A" and resid 1    and name  HG12))

      3.368     1.418     1.418 peak   504 weight  1.00000E+00 volume  1.85959E+05 ppm1      1.968 ppm2      1.495



 ASSI {  505}

   (( segid "   A" and resid 6    and name  HA  ))

   (( segid "   A" and resid 12   and name  HA  ))

      3.784     1.790     1.790 peak   505 weight  1.00000E+00 volume  4.57914E+04 ppm1      4.368 ppm2      3.949



 ASSI {  506}

   (( segid "   A" and resid 8    and name  HB2 ))

   (( segid "   A" and resid 11   and name  HN  ))

      3.134     1.228     1.228 peak   506 weight  1.00000E+00 volume  6.45337E+04 ppm1      7.663 ppm2      3.208



 ASSI {  507}

   (( segid "   A" and resid 7    and name  HN  ))

   (( segid "   A" and resid 12   and name  HD2 ))

      3.553     1.578     1.578 peak   507 weight  1.00000E+00 volume  1.34739E+05 ppm1      7.849 ppm2      3.277



 ASSI {  508}

   (( segid "   A" and resid 11   and name  HN  ))

   (( segid "   A" and resid 10   and name  HA  ))

      3.276     1.342     1.342 peak   508 weight  1.00000E+00 volume  2.19435E+05 ppm1      7.662 ppm2      3.747



 ASSI {  509}

   (( segid "   A" and resid 13   and name  HN  ))

   (( segid "   A" and resid 10   and name  HA  ))

      3.715     1.726     1.726 peak   509 weight  1.00000E+00 volume  1.03121E+05 ppm1      7.400 ppm2      3.748



 ASSI {  510}

   (( segid "   A" and resid 13   and name  HA  ))

   (( segid "   A" and resid 14   and name  HN  ))

      3.201     1.281     1.281 peak   510 weight  1.00000E+00 volume  8.45445E+04 ppm1      7.613 ppm2      3.882



 ASSI {  511}

   (( segid "   A" and resid 2    and name  HA  ))

   (( segid "   A" and resid 3    and name  HN  ))

      2.208     0.609     0.609 peak   511 weight  1.00000E+00 volume  7.00483E+05 ppm1      8.777 ppm2      4.348



 ASSI {  512}

   (( segid "   A" and resid 15   and name  HN  ))

   (( segid "   A" and resid 16   and name  HD22))

      3.282     1.346     1.346 peak   512 weight  1.00000E+00 volume  2.17070E+05 ppm1      7.632 ppm2      3.523



 ASSI {  513}

   (( segid "   A" and resid 12   and name  HA  ))

   (( segid "   A" and resid 13   and name  HN  ))

      3.291     1.354     1.354 peak   513 weight  1.00000E+00 volume  2.13659E+05 ppm1      7.401 ppm2      3.950



 ASSI {  514}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 16   and name  HD1 ))

      3.880     1.881     1.881 peak   514 weight  1.00000E+00 volume  2.93844E+04 ppm1      8.790 ppm2      3.799



 ASSI {  515}

   (( segid "   A" and resid 3    and name  HB2 ))

   (( segid "   A" and resid 4    and name  HN  ))

      3.216     1.293     1.293 peak   515 weight  1.00000E+00 volume  5.49137E+04 ppm1      8.901 ppm2      2.915



 ASSI {  516}

   (( segid "   A" and resid 3    and name  HB1 ))

   (( segid "   A" and resid 4    and name  HN  ))

      3.067     1.176     1.176 peak   516 weight  1.00000E+00 volume  3.25800E+05 ppm1      8.900 ppm2      2.845



 ASSI {  517}

   (( segid "   A" and resid 6    and name  HN  ))

   (( segid "   A" and resid 19   and name  HB1 ))

      2.802     0.982     0.982 peak   517 weight  1.00000E+00 volume  5.60226E+05 ppm1      8.169 ppm2      2.761

 OR {  517}

   (( segid "   A" and resid 5    and name  HB1 ))

   (( segid "   A" and resid 6    and name  HN  ))



 ASSI {  518}

   (( segid "   A" and resid 8    and name  HB1 ))

   (( segid "   A" and resid 8    and name  HD21))

      2.873     1.032     1.032 peak   518 weight  1.00000E+00 volume  1.12643E+05 ppm1      8.028 ppm2      2.882



 ASSI {  519}

   (( segid "   A" and resid 3    and name  HB1 ))

   (( segid "   A" and resid 4    and name  HN  ))

      3.231     1.305     1.305 peak   519 weight  1.00000E+00 volume  6.95728E+04 ppm1      2.851 ppm2      8.895



 ASSI {  520}

   (( segid "   A" and resid 3    and name  HB2 ))

   (( segid "   A" and resid 4    and name  HN  ))

      3.390     1.437     1.437 peak   520 weight  1.00000E+00 volume  1.78706E+05 ppm1      2.911 ppm2      8.899



 ASSI {  521}

   (( segid "   A" and resid 2    and name  HN  ))

   (( segid "   A" and resid 1    and name  HA  ))

      2.304     0.664     0.664 peak   521 weight  1.00000E+00 volume  1.81264E+06 ppm1      3.866 ppm2      8.797



 ASSI {  522}

   (( segid "   A" and resid 3    and name  HA  ))

   (( segid "   A" and resid 4    and name  HN  ))

      2.311     0.667     0.667 peak   522 weight  1.00000E+00 volume  1.78285E+06 ppm1      4.598 ppm2      8.897



 ASSI {  523}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 16   and name  HA  ))

      2.554     0.815     0.815 peak   523 weight  1.00000E+00 volume  3.19823E+05 ppm1      4.529 ppm2      8.798



 ASSI {  524}

   (( segid "   A" and resid 4    and name  HN  ))

   (( segid "   A" and resid 5    and name  HA  ))

      3.763     1.770     1.770 peak   524 weight  1.00000E+00 volume  2.63213E+04 ppm1      4.464 ppm2      8.898



 ASSI {  525}

   (( segid "   A" and resid 4    and name  HA  ))

   (( segid "   A" and resid 5    and name  HN  ))

      2.845     1.012     1.012 peak   525 weight  1.00000E+00 volume  5.11422E+05 ppm1      4.230 ppm2      8.506



 ASSI {  526}

   (( segid "   A" and resid 12   and name  HG1 ))

   (( segid "   A" and resid 9    and name  HA  ))

      2.915     1.062     1.062 peak   526 weight  1.00000E+00 volume  1.05075E+05 ppm1      1.855 ppm2      4.136



 ASSI {  527}

   (( segid "   A" and resid 11   and name  HB2 ))

   (( segid "   A" and resid 12   and name  HB2 ))

      3.313     1.372     1.372 peak   527 weight  1.00000E+00 volume  5.07262E+04 ppm1      1.728 ppm2      4.136



 ASSI {  528}

   (( segid "   A" and resid 12   and name  HB1 ))

   (( segid "   A" and resid 9    and name  HA  ))

      3.235     1.308     1.308 peak   528 weight  1.00000E+00 volume  2.36611E+05 ppm1      1.597 ppm2      4.136



 ASSI {  529}

   (( segid "   A" and resid 6    and name  HA  ))

   (( segid "   A" and resid 12   and name  HG2 ))

      3.065     1.174     1.174 peak   529 weight  1.00000E+00 volume  6.81392E+04 ppm1      2.016 ppm2      4.370



 ASSI {  530}

   (( segid "   A" and resid 13   and name  HB  ))

   (( segid "   A" and resid 10   and name  HA  ))

      3.458     1.495     1.495 peak   530 weight  1.00000E+00 volume  3.34677E+04 ppm1      2.163 ppm2      3.747



 ASSI {  531}

   (  segid "   A" and resid 13   and name  HG2#)

   (( segid "   A" and resid 10   and name  HA  ))

      3.053     1.165     1.165 peak   531 weight  1.00000E+00 volume  3.34931E+05 ppm1      1.060 ppm2      3.746



 ASSI {  532}

   (( segid "   A" and resid 8    and name  HB2 ))

   (( segid "   A" and resid 11   and name  HA  ))

      3.559     1.583     1.583 peak   532 weight  1.00000E+00 volume  3.18418E+04 ppm1      4.198 ppm2      3.212



 ASSI {  533}

   (( segid "   A" and resid 8    and name  HB2 ))

   (( segid "   A" and resid 11   and name  HB2 ))

      3.227     1.302     1.302 peak   533 weight  1.00000E+00 volume  2.40264E+05 ppm1      4.129 ppm2      3.212



 ASSI {  534}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 16   and name  HD22))

      4.084     2.085     2.085 peak   534 weight  1.00000E+00 volume  2.14335E+04 ppm1      8.788 ppm2      3.525



 ASSI {  535}

   (( segid "   A" and resid 4    and name  HB1 ))

   (( segid "   A" and resid 5    and name  HN  ))

      3.035     1.152     1.152 peak   535 weight  1.00000E+00 volume  3.46861E+05 ppm1      8.510 ppm2      2.048



 ASSI {  536}

   (( segid "   A" and resid 4    and name  HB2 ))

   (( segid "   A" and resid 5    and name  HN  ))

      3.219     1.296     1.296 peak   536 weight  1.00000E+00 volume  5.56876E+04 ppm1      8.508 ppm2      2.179



 ASSI {  537}

   (( segid "   A" and resid 4    and name  HG2 ))

   (( segid "   A" and resid 5    and name  HN  ))

      3.761     1.768     1.768 peak   537 weight  1.00000E+00 volume  9.58643E+04 ppm1      8.509 ppm2      2.503



 ASSI {  538}

   (( segid "   A" and resid 8    and name  HB1 ))

   (( segid "   A" and resid 12   and name  HN  ))

      3.495     1.527     1.527 peak   538 weight  1.00000E+00 volume  1.48860E+05 ppm1      8.506 ppm2      2.908

 OR {  538}

   (( segid "   A" and resid 5    and name  HN  ))

   (( segid "   A" and resid 8    and name  HB1 ))



 ASSI {  539}

   (( segid "   A" and resid 5    and name  HA  ))

   (( segid "   A" and resid 6    and name  HN  ))

      3.523     1.551     1.551 peak   539 weight  1.00000E+00 volume  1.42003E+05 ppm1      8.167 ppm2      4.469



 ASSI {  540}

   (( segid "   A" and resid 8    and name  HB2 ))

   (( segid "   A" and resid 8    and name  HD21))

      3.155     1.244     1.244 peak   540 weight  1.00000E+00 volume  2.75169E+05 ppm1      8.029 ppm2      3.208



 ASSI {  542}

   (( segid "   A" and resid 8    and name  HD21))

   (( segid "   A" and resid 8    and name  HD22))

      1.999     0.500     0.500 peak   542 weight  1.00000E+00 volume  4.24809E+06 ppm1      8.026 ppm2      7.260



 ASSI {  544}

   (( segid "   A" and resid 8    and name  HA  ))

   (( segid "   A" and resid 8    and name  HD21))

      3.528     1.556     1.556 peak   544 weight  1.00000E+00 volume  3.50302E+04 ppm1      8.029 ppm2      5.303



 ASSI {  545}

   (( segid "   A" and resid 11   and name  HB1 ))

   (( segid "   A" and resid 8    and name  HD21))

      4.704     2.766     2.766 peak   545 weight  1.00000E+00 volume  2.21870E+04 ppm1      8.029 ppm2      3.310



 ASSI {  546}

   (( segid "   A" and resid 18   and name  HN  ))

   (( segid "   A" and resid 16   and name  HA  ))

      3.656     1.670     1.670 peak   546 weight  1.00000E+00 volume  1.13683E+05 ppm1      7.632 ppm2      4.533

 OR {  546}

   (( segid "   A" and resid 15   and name  HN  ))

   (( segid "   A" and resid 16   and name  HA  ))



 ASSI {  547}

   (( segid "   A" and resid 18   and name  HN  ))

   (( segid "   A" and resid 17   and name  HA  ))

      3.004     1.128     1.128 peak   547 weight  1.00000E+00 volume  6.63363E+04 ppm1      7.631 ppm2      4.683



 ASSI {  549}

   (( segid "   A" and resid 15   and name  HD21))

   (( segid "   A" and resid 15   and name  HD22))

      2.036     0.518     0.518 peak   549 weight  1.00000E+00 volume  3.80738E+06 ppm1      7.830 ppm2      7.393



 ASSI {  550}

   (( segid "   A" and resid 15   and name  HB1 ))

   (( segid "   A" and resid 15   and name  HD21))

      2.582     0.833     0.833 peak   550 weight  1.00000E+00 volume  9.15577E+05 ppm1      7.830 ppm2      2.692



 ASSI {  551}

   (( segid "   A" and resid 15   and name  HB2 ))

   (( segid "   A" and resid 15   and name  HD21))

      3.177     1.262     1.262 peak   551 weight  1.00000E+00 volume  2.63911E+05 ppm1      7.829 ppm2      2.773



 ASSI {  552}

   (( segid "   A" and resid 7    and name  HN  ))

   (( segid "   A" and resid 8    and name  HB1 ))

      3.079     1.185     1.185 peak   552 weight  1.00000E+00 volume  3.18572E+05 ppm1      7.852 ppm2      2.887



 ASSI {  554}

   (( segid "   A" and resid 14   and name  HD21))

   (( segid "   A" and resid 14   and name  HD22))

      1.927     0.464     0.464 peak   554 weight  1.00000E+00 volume  1.34273E+06 ppm1      7.697 ppm2      7.081



 ASSI {  555}

   (( segid "   A" and resid 18   and name  HN  ))

   (( segid "   A" and resid 15   and name  HD21))

      3.041     1.156     1.156 peak   555 weight  1.00000E+00 volume  3.42852E+05 ppm1      7.829 ppm2      7.635



 ASSI {  557}

   (( segid "   A" and resid 9    and name  HB1 ))

   (( segid "   A" and resid 10   and name  HN  ))

      3.612     1.631     1.631 peak   557 weight  1.00000E+00 volume  1.22150E+05 ppm1      7.492 ppm2      2.399



 ASSI {  558}

   (( segid "   A" and resid 2    and name  HD2 ))

   (( segid "   A" and resid 2    and name  HB2 ))

      2.793     0.975     0.975 peak   558 weight  1.00000E+00 volume  5.70868E+05 ppm1      3.190 ppm2      1.796



 ASSI {  559}

   (( segid "   A" and resid 2    and name  HD2 ))

   (( segid "   A" and resid 2    and name  HB1 ))

      2.650     0.878     0.878 peak   559 weight  1.00000E+00 volume  7.83713E+05 ppm1      3.191 ppm2      1.629



 ASSI {  560}

   (( segid "   A" and resid 2    and name  HN  ))

   (  segid "   A" and resid 1    and name  HG2#)

      3.346     1.400     1.400 peak   560 weight  1.00000E+00 volume  1.93288E+05 ppm1      8.789 ppm2      0.995

 OR {  560}

   (  segid "   A" and resid 18   and name  HG1#)

   (( segid "   A" and resid 17   and name  HN  ))



 ASSI {  561}

   (  segid "   A" and resid 13   and name  HG2#)

   (( segid "   A" and resid 10   and name  HA  ))

      2.996     1.122     1.122 peak   561 weight  1.00000E+00 volume  3.75251E+05 ppm1      3.746 ppm2      1.065



 ASSI {  562}

   (( segid "   A" and resid 12   and name  HA  ))

   (  segid "   A" and resid 13   and name  HG1#)

      3.062     1.172     1.172 peak   562 weight  1.00000E+00 volume  3.29168E+05 ppm1      3.947 ppm2      0.979



 ASSI {  563}

   (( segid "   A" and resid 15   and name  HD21))

   (( segid "   A" and resid 15   and name  HD22))

      2.048     0.524     0.524 peak   563 weight  1.00000E+00 volume  1.06494E+06 ppm1      7.388 ppm2      7.833



 ASSI {  564}

   (( segid "   A" and resid 8    and name  HD21))

   (( segid "   A" and resid 8    and name  HD22))

      1.967     0.483     0.483 peak   564 weight  1.00000E+00 volume  4.68890E+06 ppm1      7.266 ppm2      8.028



 ASSI {  565}

   (( segid "   A" and resid 14   and name  HD21))

   (( segid "   A" and resid 14   and name  HD22))

      1.915     0.458     0.458 peak   565 weight  1.00000E+00 volume  5.50438E+06 ppm1      7.079 ppm2      7.699



 ASSI {  566}

   (( segid "   A" and resid 14   and name  HB2 ))

   (( segid "   A" and resid 14   and name  HD22))

      3.480     1.514     1.514 peak   566 weight  1.00000E+00 volume  4.42357E+04 ppm1      7.080 ppm2      2.901



 ASSI {  567}

   (( segid "   A" and resid 14   and name  HB1 ))

   (( segid "   A" and resid 14   and name  HD22))

      3.222     1.298     1.298 peak   567 weight  1.00000E+00 volume  2.42503E+05 ppm1      7.077 ppm2      2.775



 ASSI {  568}

   (( segid "   A" and resid 14   and name  HB1 ))

   (( segid "   A" and resid 13   and name  HN  ))

      3.256     1.325     1.325 peak   568 weight  1.00000E+00 volume  5.02957E+04 ppm1      7.392 ppm2      2.777

 OR {  568}

   (( segid "   A" and resid 13   and name  HN  ))

   (( segid "   A" and resid 15   and name  HB2 ))

 OR {  568}

   (( segid "   A" and resid 15   and name  HB2 ))

   (( segid "   A" and resid 15   and name  HD22))



 ASSI {  569}

   (( segid "   A" and resid 15   and name  HB1 ))

   (( segid "   A" and resid 15   and name  HD22))

      3.018     1.139     1.139 peak   569 weight  1.00000E+00 volume  6.53851E+04 ppm1      7.391 ppm2      2.691



 ASSI {  570}

   (( segid "   A" and resid 8    and name  HB1 ))

   (( segid "   A" and resid 12   and name  HN  ))

      3.649     1.664     1.664 peak   570 weight  1.00000E+00 volume  1.14893E+05 ppm1      8.532 ppm2      2.878



 ASSI {  571}

   (( segid "   A" and resid 8    and name  HB1 ))

   (( segid "   A" and resid 12   and name  HE  ))

      3.489     1.521     1.521 peak   571 weight  1.00000E+00 volume  1.50461E+05 ppm1      7.390 ppm2      2.898

 OR {  571}

   (( segid "   A" and resid 14   and name  HB2 ))

   (( segid "   A" and resid 13   and name  HN  ))

 OR {  571}

   (( segid "   A" and resid 8    and name  HB1 ))

   (( segid "   A" and resid 13   and name  HN  ))

 OR {  571}

   (( segid "   A" and resid 6    and name  HB1 ))

   (( segid "   A" and resid 12   and name  HE  ))



 ASSI {  572}

   (( segid "   A" and resid 5    and name  HB1 ))

   (( segid "   A" and resid 11   and name  HA  ))

      3.288     1.351     1.351 peak   572 weight  1.00000E+00 volume  2.14773E+05 ppm1      4.205 ppm2      2.777



 ASSI {  573}

   (( segid "   A" and resid 8    and name  HB1 ))

   (( segid "   A" and resid 11   and name  HA  ))

      3.469     1.504     1.504 peak   573 weight  1.00000E+00 volume  1.55678E+05 ppm1      4.202 ppm2      2.898

 OR {  573}

   (( segid "   A" and resid 14   and name  HB2 ))

   (( segid "   A" and resid 11   and name  HA  ))

 OR {  573}

   (( segid "   A" and resid 3    and name  HB2 ))

   (( segid "   A" and resid 4    and name  HA  ))

 OR {  573}

   (( segid "   A" and resid 4    and name  HA  ))

   (( segid "   A" and resid 6    and name  HB1 ))



 ASSI {  574}

   (( segid "   A" and resid 8    and name  HA  ))

   (( segid "   A" and resid 9    and name  HD1 ))

      2.508     0.786     0.786 peak   574 weight  1.00000E+00 volume  2.07311E+05 ppm1      5.302 ppm2      3.958



 ASSI {  575}

   (( segid "   A" and resid 8    and name  HA  ))

   (( segid "   A" and resid 9    and name  HD2 ))

      2.378     0.707     0.707 peak   575 weight  1.00000E+00 volume  1.49854E+06 ppm1      4.042 ppm2      5.303



 ASSI {  576}

   (( segid "   A" and resid 8    and name  HA  ))

   (( segid "   A" and resid 9    and name  HD1 ))

      2.404     0.722     0.722 peak   576 weight  1.00000E+00 volume  1.40574E+06 ppm1      3.957 ppm2      5.304



 ASSI {  577}

   (( segid "   A" and resid 15   and name  HA  ))

   (( segid "   A" and resid 16   and name  HD1 ))

      2.545     0.809     0.809 peak   577 weight  1.00000E+00 volume  2.32174E+05 ppm1      3.797 ppm2      5.150



 ASSI {  578}

   (( segid "   A" and resid 15   and name  HA  ))

   (( segid "   A" and resid 16   and name  HD22))

      2.748     0.944     0.944 peak   578 weight  1.00000E+00 volume  1.55598E+05 ppm1      3.516 ppm2      5.150



 ASSI {  579}

   (( segid "   A" and resid 19   and name  HA  ))

   (( segid "   A" and resid 19   and name  HB2 ))

      2.670     0.891     0.891 peak   579 weight  1.00000E+00 volume  7.15346E+04 ppm1      3.276 ppm2      4.839



 ASSI {  580}

   (( segid "   A" and resid 14   and name  HB2 ))

   (( segid "   A" and resid 15   and name  HA  ))

      3.468     1.503     1.503 peak   580 weight  1.00000E+00 volume  4.47625E+04 ppm1      2.913 ppm2      5.125



 ASSI {  581}

   (( segid "   A" and resid 16   and name  HA  ))

   (( segid "   A" and resid 16   and name  HB2 ))

      2.518     0.793     0.793 peak   581 weight  1.00000E+00 volume  2.39151E+05 ppm1      2.218 ppm2      4.530



 ASSI {  582}

   (( segid "   A" and resid 16   and name  HA  ))

   (( segid "   A" and resid 16   and name  HB3 ))

      2.816     0.991     0.991 peak   582 weight  1.00000E+00 volume  5.44523E+05 ppm1      1.905 ppm2      4.530



 ASSI {  583}

   (( segid "   A" and resid 5    and name  HB1 ))

   (( segid "   A" and resid 12   and name  HB2 ))

      3.790     1.795     1.795 peak   583 weight  1.00000E+00 volume  1.67751E+04 ppm1      2.757 ppm2      1.721

 OR {  583}

   (( segid "   A" and resid 12   and name  HB2 ))

   (( segid "   A" and resid 19   and name  HB1 ))

 OR {  583}

   (( segid "   A" and resid 12   and name  HB2 ))

   (( segid "   A" and resid 15   and name  HB2 ))



 ASSI {  584}

   (( segid "   A" and resid 12   and name  HB1 ))

   (( segid "   A" and resid 15   and name  HB2 ))

      3.898     1.899     1.899 peak   584 weight  1.00000E+00 volume  1.57661E+04 ppm1      2.766 ppm2      1.601

 OR {  584}

   (( segid "   A" and resid 12   and name  HB1 ))

   (( segid "   A" and resid 19   and name  HB1 ))

 OR {  584}

   (( segid "   A" and resid 5    and name  HB1 ))

   (( segid "   A" and resid 12   and name  HB1 ))



 ASSI {  585}

   (  segid "   A" and resid 18   and name  HG1#)

   (( segid "   A" and resid 15   and name  HB1 ))

      2.819     0.993     0.993 peak   585 weight  1.00000E+00 volume  5.40772E+05 ppm1      2.682 ppm2      0.972



 ASSI {  586}

   (( segid "   A" and resid 8    and name  HB1 ))

   (( segid "   A" and resid 9    and name  HA  ))

      3.557     1.581     1.581 peak   586 weight  1.00000E+00 volume  1.34041E+05 ppm1      4.128 ppm2      2.886



 ASSI {  587}

   (( segid "   A" and resid 11   and name  HN  ))

   (  segid "   A" and resid 10   and name  HG2#)

      3.277     1.342     1.342 peak   587 weight  1.00000E+00 volume  7.75139E+04 ppm1      7.662 ppm2      0.882



 ASSI {  588}

   (  segid "   A" and resid 10   and name  HG2#)

   (( segid "   A" and resid 14   and name  HD21))

      3.190     1.272     1.272 peak   588 weight  1.00000E+00 volume  8.38830E+04 ppm1      7.695 ppm2      0.885



 ASSI {  589}

   (  segid "   A" and resid 13   and name  HG2#)

   (( segid "   A" and resid 14   and name  HN  ))

      3.536     1.563     1.563 peak   589 weight  1.00000E+00 volume  4.69681E+04 ppm1      7.613 ppm2      1.066



 ASSI {  590}

   (  segid "   A" and resid 13   and name  HG2#)

   (( segid "   A" and resid 14   and name  HD21))

      4.089     2.089     2.089 peak   590 weight  1.00000E+00 volume  5.80791E+04 ppm1      7.696 ppm2      1.063



 ASSI {  591}

   (( segid "   A" and resid 15   and name  HA  ))

   (( segid "   A" and resid 15   and name  HD21))

      3.884     1.886     1.886 peak   591 weight  1.00000E+00 volume  7.89878E+04 ppm1      7.835 ppm2      5.149



 ASSI {  593}

   (( segid "   A" and resid 12   and name  HN  ))

   (( segid "   A" and resid 9    and name  HA  ))

      3.037     1.153     1.153 peak   593 weight  1.00000E+00 volume  8.74339E+04 ppm1      4.128 ppm2      8.527



 ASSI {  594}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 16   and name  HD1 ))

      3.852     1.855     1.855 peak   594 weight  1.00000E+00 volume  8.30306E+04 ppm1      3.795 ppm2      8.800



 ASSI {  595}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 16   and name  HB2 ))

      3.571     1.594     1.594 peak   595 weight  1.00000E+00 volume  1.30823E+05 ppm1      2.215 ppm2      8.796



 ASSI {  596}

   (( segid "   A" and resid 2    and name  HN  ))

   (( segid "   A" and resid 1    and name  HB  ))

      3.138     1.231     1.231 peak   596 weight  1.00000E+00 volume  5.95765E+04 ppm1      1.970 ppm2      8.795



 ASSI {  597}

   (( segid "   A" and resid 17   and name  HN  ))

   (( segid "   A" and resid 16   and name  HB3 ))

      3.681     1.693     1.693 peak   597 weight  1.00000E+00 volume  2.67613E+04 ppm1      1.912 ppm2      8.798



 ASSI {  598}

   (( segid "   A" and resid 12   and name  HN  ))

   (( segid "   A" and resid 12   and name  HB1 ))

      3.464     1.500     1.500 peak   598 weight  1.00000E+00 volume  1.56891E+05 ppm1      1.596 ppm2      8.525



 ASSI {  599}

   (( segid "   A" and resid 12   and name  HN  ))

   (( segid "   A" and resid 12   and name  HB2 ))

      3.346     1.400     1.400 peak   599 weight  1.00000E+00 volume  1.93237E+05 ppm1      1.727 ppm2      8.528



 ASSI {  600}

   (( segid "   A" and resid 12   and name  HN  ))

   (( segid "   A" and resid 12   and name  HG1 ))

      3.021     1.141     1.141 peak   600 weight  1.00000E+00 volume  7.42352E+04 ppm1      1.851 ppm2      8.527



 ASSI {  601}

   (( segid "   A" and resid 12   and name  HN  ))

   (( segid "   A" and resid 12   and name  HG2 ))

      2.881     1.037     1.037 peak   601 weight  1.00000E+00 volume  4.74744E+05 ppm1      2.017 ppm2      8.527



 ASSI {  602}

   (( segid "   A" and resid 18   and name  HB  ))

   (( segid "   A" and resid 19   and name  HN  ))

      3.271     1.338     1.338 peak   602 weight  1.00000E+00 volume  5.08606E+04 ppm1      2.193 ppm2      7.934



 ASSI {  603}

   (( segid "   A" and resid 4    and name  HB2 ))

   (( segid "   A" and resid 5    and name  HN  ))

      3.493     1.525     1.525 peak   603 weight  1.00000E+00 volume  2.64369E+04 ppm1      2.178 ppm2      8.515



 ASSI {  605}

   (( segid "   A" and resid 4    and name  HG2 ))

   (( segid "   A" and resid 5    and name  HN  ))

      4.129     2.131     2.131 peak   605 weight  1.00000E+00 volume  1.57209E+04 ppm1      2.493 ppm2      8.500



 ASSI {  606}

   (( segid "   A" and resid 5    and name  HA  ))

   (( segid "   A" and resid 6    and name  HN  ))

      3.370     1.420     1.420 peak   606 weight  1.00000E+00 volume  6.75582E+04 ppm1      4.462 ppm2      8.170



 ASSI {  607}

   (( segid "   A" and resid 4    and name  HA  ))

   (( segid "   A" and resid 6    and name  HN  ))

      3.866     1.868     1.868 peak   607 weight  1.00000E+00 volume  2.52895E+04 ppm1      4.228 ppm2      8.170



 ASSI {  608}

   (( segid "   A" and resid 6    and name  HN  ))

   (( segid "   A" and resid 19   and name  HB1 ))

      3.010     1.133     1.133 peak   608 weight  1.00000E+00 volume  3.64761E+05 ppm1      2.760 ppm2      8.169



 ASSI {  609}

   (( segid "   A" and resid 6    and name  HB2 ))

   (( segid "   A" and resid 8    and name  HD21))

      3.657     1.672     1.672 peak   609 weight  1.00000E+00 volume  1.13449E+05 ppm1      3.296 ppm2      8.031



 ASSI {  610}

   (( segid "   A" and resid 8    and name  HB1 ))

   (( segid "   A" and resid 8    and name  HD21))

      2.990     1.117     1.117 peak   610 weight  1.00000E+00 volume  3.79913E+05 ppm1      2.886 ppm2      8.028



 ASSI {  611}

   (( segid "   A" and resid 8    and name  HB2 ))

   (( segid "   A" and resid 8    and name  HD21))

      3.218     1.295     1.295 peak   611 weight  1.00000E+00 volume  2.44185E+05 ppm1      3.209 ppm2      8.028



 ASSI {  612}

   (( segid "   A" and resid 7    and name  HA  ))

   (( segid "   A" and resid 8    and name  HN  ))

      3.145     1.236     1.236 peak   612 weight  1.00000E+00 volume  6.36348E+04 ppm1      4.513 ppm2      7.962



 ASSI {  613}

   (( segid "   A" and resid 18   and name  HA  ))

   (( segid "   A" and resid 19   and name  HN  ))

      2.793     0.975     0.975 peak   613 weight  1.00000E+00 volume  5.71529E+05 ppm1      4.234 ppm2      7.933



 ASSI {  614}

   (( segid "   A" and resid 6    and name  HA  ))

   (( segid "   A" and resid 7    and name  HN  ))

      3.590     1.611     1.611 peak   614 weight  1.00000E+00 volume  3.17881E+04 ppm1      4.357 ppm2      7.850



 ASSI {  615}

   (( segid "   A" and resid 4    and name  HA  ))

   (( segid "   A" and resid 7    and name  HN  ))

      3.248     1.318     1.318 peak   615 weight  1.00000E+00 volume  2.31219E+05 ppm1      4.215 ppm2      7.837

 OR {  615}

   (( segid "   A" and resid 18   and name  HA  ))

   (( segid "   A" and resid 15   and name  HD21))



 ASSI {  616}

   (( segid "   A" and resid 6    and name  HB2 ))

   (( segid "   A" and resid 7    and name  HN  ))

      3.353     1.405     1.405 peak   616 weight  1.00000E+00 volume  2.63336E+04 ppm1      3.278 ppm2      7.860



 ASSI {  617}

   (( segid "   A" and resid 6    and name  HB1 ))

   (( segid "   A" and resid 7    and name  HN  ))

      3.129     1.224     1.224 peak   617 weight  1.00000E+00 volume  2.89089E+05 ppm1      2.887 ppm2      7.849

 OR {  617}

   (( segid "   A" and resid 7    and name  HN  ))

   (( segid "   A" and resid 8    and name  HB1 ))



 ASSI {  618}

   (( segid "   A" and resid 15   and name  HB1 ))

   (( segid "   A" and resid 15   and name  HD21))

      2.777     0.964     0.964 peak   618 weight  1.00000E+00 volume  1.28848E+05 ppm1      2.688 ppm2      7.829



 ASSI {  619}

   (( segid "   A" and resid 11   and name  HN  ))

   (( segid "   A" and resid 10   and name  HB  ))

      2.873     1.032     1.032 peak   619 weight  1.00000E+00 volume  9.35524E+04 ppm1      2.044 ppm2      7.661



 ASSI {  620}

   (( segid "   A" and resid 15   and name  HB2 ))

   (( segid "   A" and resid 14   and name  HD21))

      3.027     1.145     1.145 peak   620 weight  1.00000E+00 volume  3.52959E+05 ppm1      2.770 ppm2      7.698



 ASSI {  621}

   (( segid "   A" and resid 15   and name  HN  ))

   (( segid "   A" and resid 16   and name  HD22))

      3.338     1.393     1.393 peak   621 weight  1.00000E+00 volume  4.69923E+04 ppm1      3.516 ppm2      7.634



 ASSI {  622}

   (( segid "   A" and resid 11   and name  HN  ))

   (( segid "   A" and resid 10   and name  HA  ))

      3.230     1.304     1.304 peak   622 weight  1.00000E+00 volume  5.12894E+04 ppm1      3.746 ppm2      7.662



 ASSI {  623}

   (( segid "   A" and resid 12   and name  HA  ))

   (( segid "   A" and resid 14   and name  HN  ))

      3.155     1.245     1.245 peak   623 weight  1.00000E+00 volume  4.66480E+04 ppm1      3.948 ppm2      7.640

 OR {  623}

   (( segid "   A" and resid 12   and name  HA  ))

   (( segid "   A" and resid 15   and name  HN  ))



 ASSI {  624}

   (( segid "   A" and resid 18   and name  HN  ))

   (( segid "   A" and resid 16   and name  HA  ))

      3.494     1.526     1.526 peak   624 weight  1.00000E+00 volume  1.49077E+05 ppm1      4.526 ppm2      7.630



 ASSI {  625}

   (( segid "   A" and resid 18   and name  HN  ))

   (( segid "   A" and resid 17   and name  HA  ))

      3.055     1.166     1.166 peak   625 weight  1.00000E+00 volume  3.33848E+05 ppm1      4.688 ppm2      7.629



 ASSI {  626}

   (( segid "   A" and resid 10   and name  HN  ))

   (( segid "   A" and resid 9    and name  HD1 ))

      3.229     1.303     1.303 peak   626 weight  1.00000E+00 volume  7.41624E+04 ppm1      3.956 ppm2      7.490



 ASSI {  627}

   (( segid "   A" and resid 10   and name  HN  ))

   (( segid "   A" and resid 9    and name  HD2 ))

      3.635     1.652     1.652 peak   627 weight  1.00000E+00 volume  1.17618E+05 ppm1      4.040 ppm2      7.490



 ASSI {  628}

   (( segid "   A" and resid 9    and name  HA  ))

   (( segid "   A" and resid 10   and name  HN  ))

      3.364     1.415     1.415 peak   628 weight  1.00000E+00 volume  1.87192E+05 ppm1      4.129 ppm2      7.490



 ASSI {  629}

   (( segid "   A" and resid 9    and name  HA  ))

   (( segid "   A" and resid 13   and name  HN  ))

      3.177     1.261     1.261 peak   629 weight  1.00000E+00 volume  2.64017E+05 ppm1      4.130 ppm2      7.386



 ASSI {  630}

   (( segid "   A" and resid 15   and name  HB1 ))

   (( segid "   A" and resid 15   and name  HD22))

      3.171     1.257     1.257 peak   630 weight  1.00000E+00 volume  7.97391E+04 ppm1      2.687 ppm2      7.393



 ASSI {  631}

   (( segid "   A" and resid 13   and name  HN  ))

   (( segid "   A" and resid 10   and name  HA  ))

      3.362     1.413     1.413 peak   631 weight  1.00000E+00 volume  1.87747E+05 ppm1      3.746 ppm2      7.397



 ASSI {  632}

   (( segid "   A" and resid 8    and name  HA  ))

   (( segid "   A" and resid 9    and name  HG2 ))

      3.768     1.774     1.774 peak   632 weight  1.00000E+00 volume  9.48596E+04 ppm1      2.148 ppm2      5.305



 ASSI {  633}

   (( segid "   A" and resid 8    and name  HA  ))

   (( segid "   A" and resid 9    and name  HB2 ))

      3.769     1.775     1.775 peak   633 weight  1.00000E+00 volume  1.25919E+04 ppm1      2.065 ppm2      5.299



 ASSI {  634}

   (( segid "   A" and resid 18   and name  HN  ))

   (( segid "   A" and resid 17   and name  HB1 ))

      3.563     1.586     1.586 peak   634 weight  1.00000E+00 volume  2.59950E+04 ppm1      7.628 ppm2      3.320



 ASSI {  635}

   (( segid "   A" and resid 18   and name  HN  ))

   (( segid "   A" and resid 17   and name  HB2 ))

      3.517     1.546     1.546 peak   635 weight  1.00000E+00 volume  1.43325E+05 ppm1      7.629 ppm2      3.389



 ASSI {  636}

   (( segid "   A" and resid 6    and name  HA  ))

   (( segid "   A" and resid 7    and name  HN  ))

      3.865     1.867     1.867 peak   636 weight  1.00000E+00 volume  8.14317E+04 ppm1      7.849 ppm2      4.368



 ASSI {  638}

   (( segid "   A" and resid 5    and name  HB1 ))

   (( segid "   A" and resid 11   and name  HA  ))

      3.381     1.429     1.429 peak   638 weight  1.00000E+00 volume  4.93812E+04 ppm1      2.769 ppm2      4.210



 ASSI {  639}

   (( segid "   A" and resid 14   and name  HB2 ))

   (( segid "   A" and resid 14   and name  HD21))

      3.085     1.190     1.190 peak   639 weight  1.00000E+00 volume  9.33154E+04 ppm1      7.696 ppm2      2.901



 ASSI {  640}

   (( segid "   A" and resid 14   and name  HB1 ))

   (( segid "   A" and resid 14   and name  HD21))

      2.842     1.010     1.010 peak   640 weight  1.00000E+00 volume  1.21267E+05 ppm1      7.695 ppm2      2.776



 ASSI {  641}

   (( segid "   A" and resid 12   and name  HA  ))

   (( segid "   A" and resid 15   and name  HB1 ))

      3.806     1.811     1.811 peak   641 weight  1.00000E+00 volume  8.91891E+04 ppm1      2.684 ppm2      3.949



 ASSI {  642}

   (( segid "   A" and resid 15   and name  HB1 ))

   (( segid "   A" and resid 16   and name  HD1 ))

      3.865     1.867     1.867 peak   642 weight  1.00000E+00 volume  8.14135E+04 ppm1      2.679 ppm2      3.805



 ASSI {  643}

   (( segid "   A" and resid 10   and name  HN  ))

   (( segid "   A" and resid 8    and name  HD21))

      4.002     2.002     2.002 peak   643 weight  1.00000E+00 volume  6.60509E+04 ppm1      7.491 ppm2      8.027



 ASSI {  644}

   (( segid "   A" and resid 15   and name  HB1 ))

   (( segid "   A" and resid 16   and name  HD22))

      3.609     1.628     1.628 peak   644 weight  1.00000E+00 volume  1.22700E+05 ppm1      2.684 ppm2      3.520



 ASSI {  646}

   (( segid "   A" and resid 13   and name  HN  ))

   (( segid "   A" and resid 14   and name  HN  ))

      2.749     0.945     0.945 peak   646 weight  1.00000E+00 volume  1.25168E+05 ppm1      7.399 ppm2      7.616

 OR {  646}

   (( segid "   A" and resid 18   and name  HN  ))

   (( segid "   A" and resid 15   and name  HD22))



# Restraints file 2: H-bonds_restrains_design5
 assi 

   (( segid "   A" and resid 8    and name  HN  ))

   (( segid "   A" and resid 5    and name  O   ))

      2.200     0.470     0.500



 assi 

   (( segid "   A" and resid 10   and name  HN  ))

   (( segid "   A" and resid 8    and name  O   ))

      2.200     0.470     0.500



 assi 

   (( segid "   A" and resid 11   and name  HN  ))

   (( segid "   A" and resid 8    and name  O   ))

      2.200     0.470     0.500



 assi 

   (( segid "   A" and resid 12   and name  HN  ))

   (( segid "   A" and resid 8    and name  O   ))

      2.200     0.470     0.500



 assi 

   (( segid "   A" and resid 13   and name  HN  ))

   (( segid "   A" and resid 9    and name  O   ))

      2.200     0.470     0.500



 assi 

   (( segid "   A" and resid 14   and name  HN  ))

   (( segid "   A" and resid 10   and name  O   ))

      2.200     0.470     0.500



 assi 

   (( segid "   A" and resid 15   and name  HN  ))

   (( segid "   A" and resid 11   and name  O   ))

      2.200     0.470     0.500



# Restraints file 3: d5talos.tbl
# REMARK  error margins are set to conservative default values of double the standard deviation observed in TALOS+, capped at a minimum of +/-20 degree.
assign (resid    3 and name C    ) (resid    4 and name N    )
       (resid    4 and name CA   ) (resid    4 and name C    )    1.0  -70.6   42.7 2
assign (resid    4 and name N    ) (resid    4 and name CA   )
       (resid    4 and name C    ) (resid    5 and name N    )    1.0  -18.1   42.8 2
assign (resid    4 and name C    ) (resid    5 and name N    )
       (resid    5 and name CA   ) (resid    5 and name C    )    1.0  -70.7   20.5 2
assign (resid    5 and name N    ) (resid    5 and name CA   )
       (resid    5 and name C    ) (resid    6 and name N    )    1.0  -31.2   22.8 2
assign (resid    5 and name C    ) (resid    6 and name N    )
       (resid    6 and name CA   ) (resid    6 and name C    )    1.0  -83.6   38.7 2
assign (resid    6 and name N    ) (resid    6 and name CA   )
       (resid    6 and name C    ) (resid    7 and name N    )    1.0  -27.0   36.1 2
assign (resid    6 and name C    ) (resid    7 and name N    )
       (resid    7 and name CA   ) (resid    7 and name C    )    1.0  -84.7   20.0 2
assign (resid    7 and name N    ) (resid    7 and name CA   )
       (resid    7 and name C    ) (resid    8 and name N    )    1.0  -11.6   45.5 2
assign (resid    7 and name C    ) (resid    8 and name N    )
       (resid    8 and name CA   ) (resid    8 and name C    )    1.0  -90.4   45.4 2
assign (resid    8 and name N    ) (resid    8 and name CA   )
       (resid    8 and name C    ) (resid    9 and name N    )    1.0  112.5   46.2 2
assign (resid    8 and name C    ) (resid    9 and name N    )
       (resid    9 and name CA   ) (resid    9 and name C    )    1.0  -54.0   20.0 2
assign (resid    9 and name N    ) (resid    9 and name CA   )
       (resid    9 and name C    ) (resid   10 and name N    )    1.0  -33.8   20.0 2
assign (resid    9 and name C    ) (resid   10 and name N    )
       (resid   10 and name CA   ) (resid   10 and name C    )    1.0  -63.4   20.0 2
assign (resid   10 and name N    ) (resid   10 and name CA   )
       (resid   10 and name C    ) (resid   11 and name N    )    1.0  -41.9   20.0 2
assign (resid   10 and name C    ) (resid   11 and name N    )
       (resid   11 and name CA   ) (resid   11 and name C    )    1.0  -66.6   20.0 2
assign (resid   11 and name N    ) (resid   11 and name CA   )
       (resid   11 and name C    ) (resid   12 and name N    )    1.0  -40.2   20.0 2
assign (resid   11 and name C    ) (resid   12 and name N    )
       (resid   12 and name CA   ) (resid   12 and name C    )    1.0  -61.9   20.0 2
assign (resid   12 and name N    ) (resid   12 and name CA   )
       (resid   12 and name C    ) (resid   13 and name N    )    1.0  -38.9   20.0 2
assign (resid   12 and name C    ) (resid   13 and name N    )
       (resid   13 and name CA   ) (resid   13 and name C    )    1.0  -66.9   20.0 2
assign (resid   13 and name N    ) (resid   13 and name CA   )
       (resid   13 and name C    ) (resid   14 and name N    )    1.0  -33.7   27.0 2
assign (resid   13 and name C    ) (resid   14 and name N    )
       (resid   14 and name CA   ) (resid   14 and name C    )    1.0  -89.5   25.6 2
assign (resid   14 and name N    ) (resid   14 and name CA   )
       (resid   14 and name C    ) (resid   15 and name N    )    1.0  -13.0   44.7 2
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ILE   1           HT1      ILE   1  -9.140  -7.392  -1.657
    2    H2   ILE   1           HT2      ILE   1 -10.243  -6.753  -0.550
    3    H3   ILE   1           HT3      ILE   1  -8.594  -6.424  -0.384
    4    HA   ILE   1           HA       ILE   1  -8.589  -5.191  -2.440
    5    HB   ILE   1           HB       ILE   1 -11.572  -5.599  -2.425
    6   HG12  ILE   1          HG12      ILE   1  -9.482  -6.726  -4.304
    7   HG13  ILE   1          HG11      ILE   1 -10.373  -7.653  -3.103
    8   HG21  ILE   1          HG21      ILE   1 -10.899  -3.427  -3.290
    9   HG22  ILE   1          HG22      ILE   1 -11.496  -4.449  -4.597
   10   HG23  ILE   1          HG23      ILE   1  -9.763  -4.204  -4.393
   11   HD11  ILE   1          HD11      ILE   1 -11.274  -7.985  -5.329
   12   HD12  ILE   1          HD12      ILE   1 -11.557  -6.251  -5.485
   13   HD13  ILE   1          HD13      ILE   1 -12.450  -7.186  -4.287
   14    H    ARG   2           HN       ARG   2  -7.862  -3.864  -0.849
   15    HA   ARG   2           HA       ARG   2  -9.422  -1.628  -0.163
   16    HB2  ARG   2           HB2      ARG   2 -10.269  -3.392   1.482
   17    HB3  ARG   2           HB1      ARG   2  -8.668  -3.355   2.199
   18    HG2  ARG   2           HG2      ARG   2 -10.095  -1.988   3.514
   19    HG3  ARG   2           HG1      ARG   2  -8.993  -0.925   2.640
   20    HD2  ARG   2           HD2      ARG   2 -11.720  -1.573   1.572
   21    HD3  ARG   2           HD1      ARG   2 -11.482  -0.288   2.751
   22    HE   ARG   2           HE       ARG   2  -9.703   0.390   0.877
   23   HH11  ARG   2          HH11      ARG   2 -13.049  -0.611   0.571
   24   HH12  ARG   2          HH12      ARG   2 -13.349   0.392  -0.811
   25   HH21  ARG   2          HH21      ARG   2 -10.091   1.711  -0.907
   26   HH22  ARG   2          HH22      ARG   2 -11.657   1.706  -1.669
   27    H    ASP   3           HN       ASP   3  -7.133  -1.799  -1.494
   28    HA   ASP   3           HA       ASP   3  -4.813  -1.749   0.230
   29    HB2  ASP   3           HB2      ASP   3  -5.025  -1.194  -2.739
   30    HB3  ASP   3           HB1      ASP   3  -3.536  -1.437  -1.835
   31    H    GLU   4           HN       GLU   4  -5.853   0.126   1.408
   32    HA   GLU   4           HA       GLU   4  -5.997   2.676   0.178
   33    HB2  GLU   4           HB2      GLU   4  -5.656   2.012   3.109
   34    HB3  GLU   4           HB1      GLU   4  -6.189   3.554   2.452
   35    HG2  GLU   4           HG2      GLU   4  -7.645   0.926   2.306
   36    HG3  GLU   4           HG1      GLU   4  -8.084   2.335   3.271
   37    H    CYS   5           HN       CYS   5  -3.477   0.911   1.827
   38    HA   CYS   5           HA       CYS   5  -1.705   3.102   2.160
   39    HB2  CYS   5           HB2      CYS   5  -1.711   0.262   2.720
   40    HB3  CYS   5           HB1      CYS   5  -0.152   0.791   2.108
   41    H    CYS   6           HN       CYS   6  -2.616   1.401  -0.610
   42    HA   CYS   6           HA       CYS   6  -0.215   1.450  -2.090
   43    HB2  CYS   6           HB2      CYS   6  -2.193   0.200  -2.827
   44    HB3  CYS   6           HB1      CYS   6  -3.077   1.707  -3.037
   45    H    SER   7           HN       SER   7  -2.575   3.915  -1.318
   46    HA   SER   7           HA       SER   7  -1.452   5.800  -3.223
   47    HB2  SER   7           HB2      SER   7  -3.918   5.687  -2.728
   48    HB3  SER   7           HB1      SER   7  -3.568   6.270  -1.103
   49    HG   SER   7           HG       SER   7  -3.065   8.218  -1.880
   50    H    ASN   8           HN       ASN   8   0.018   4.626  -0.897
   51    HA   ASN   8           HA       ASN   8   0.957   7.128   0.329
   52    HB2  ASN   8           HB2      ASN   8   0.500   4.471   1.677
   53    HB3  ASN   8           HB1      ASN   8   1.347   5.818   2.419
   54   HD21  ASN   8          HD21      ASN   8  -1.750   4.665   1.287
   55   HD22  ASN   8          HD22      ASN   8  -2.707   5.785   2.188
   56    HA   PRO   9           HA       PRO   9   4.534   5.258  -1.623
   57    HB2  PRO   9           HB2      PRO   9   6.283   7.278  -1.069
   58    HB3  PRO   9           HB1      PRO   9   5.098   7.358  -2.377
   59    HG2  PRO   9           HG2      PRO   9   4.922   8.491   0.388
   60    HG3  PRO   9           HG1      PRO   9   4.535   9.265  -1.161
   61    HD2  PRO   9           HD2      PRO   9   2.619   8.246   0.398
   62    HD3  PRO   9           HD1      PRO   9   2.521   8.126  -1.368
   63    H    VAL  10           HN       VAL  10   4.088   6.085   1.654
   64    HA   VAL  10           HA       VAL  10   6.643   5.049   2.559
   65    HB   VAL  10           HB       VAL  10   4.210   5.736   4.222
   66   HG11  VAL  10          HG11      VAL  10   7.128   5.509   4.945
   67   HG12  VAL  10          HG12      VAL  10   5.854   4.371   5.382
   68   HG13  VAL  10          HG13      VAL  10   5.834   6.010   6.034
   69   HG21  VAL  10          HG21      VAL  10   6.530   7.503   3.457
   70   HG22  VAL  10          HG22      VAL  10   5.238   7.922   4.578
   71   HG23  VAL  10          HG23      VAL  10   4.874   7.661   2.875
   72    H    CYS  11           HN       CYS  11   3.316   3.948   2.245
   73    HA   CYS  11           HA       CYS  11   3.762   1.513   3.658
   74    HB2  CYS  11           HB2      CYS  11   1.605   2.260   1.683
   75    HB3  CYS  11           HB1      CYS  11   1.605   0.851   2.719
   76    H    ARG  12           HN       ARG  12   3.534   2.437   0.222
   77    HA   ARG  12           HA       ARG  12   3.866  -0.219  -0.634
   78    HB2  ARG  12           HB2      ARG  12   4.165   0.821  -2.929
   79    HB3  ARG  12           HB1      ARG  12   2.625   1.062  -2.116
   80    HG2  ARG  12           HG2      ARG  12   3.446   3.223  -1.336
   81    HG3  ARG  12           HG1      ARG  12   4.902   3.000  -2.306
   82    HD2  ARG  12           HD2      ARG  12   3.350   2.691  -4.290
   83    HD3  ARG  12           HD1      ARG  12   2.059   3.275  -3.240
   84    HE   ARG  12           HE       ARG  12   4.374   4.995  -3.405
   85   HH11  ARG  12          HH11      ARG  12   1.208   4.251  -4.693
   86   HH12  ARG  12          HH12      ARG  12   1.003   5.813  -5.418
   87   HH21  ARG  12          HH21      ARG  12   4.105   7.047  -4.360
   88   HH22  ARG  12          HH22      ARG  12   2.645   7.404  -5.226
   89    H    VAL  13           HN       VAL  13   6.121   2.114   0.264
   90    HA   VAL  13           HA       VAL  13   8.309   1.091  -1.231
   91    HB   VAL  13           HB       VAL  13   8.333   3.358  -0.325
   92   HG11  VAL  13          HG11      VAL  13   8.561   2.115   2.395
   93   HG12  VAL  13          HG12      VAL  13   7.046   2.720   1.722
   94   HG13  VAL  13          HG13      VAL  13   8.402   3.828   1.994
   95   HG21  VAL  13          HG21      VAL  13  10.424   1.600   0.922
   96   HG22  VAL  13          HG22      VAL  13  10.543   3.346   0.702
   97   HG23  VAL  13          HG23      VAL  13  10.469   2.281  -0.704
   98    H    ASN  14           HN       ASN  14   6.946   0.449   2.005
   99    HA   ASN  14           HA       ASN  14   9.106  -1.421   2.543
  100    HB2  ASN  14           HB2      ASN  14   8.244  -1.665   4.747
  101    HB3  ASN  14           HB1      ASN  14   8.165   0.042   4.351
  102   HD21  ASN  14          HD21      ASN  14   6.231   1.059   4.338
  103   HD22  ASN  14          HD22      ASN  14   4.745   0.294   4.776
  104    H    ASN  15           HN       ASN  15   5.671  -1.579   1.694
  105    HA   ASN  15           HA       ASN  15   5.621  -4.415   2.009
  106    HB2  ASN  15           HB2      ASN  15   3.350  -4.278   1.440
  107    HB3  ASN  15           HB1      ASN  15   3.657  -2.843   2.374
  108   HD21  ASN  15          HD21      ASN  15   1.959  -1.700   1.632
  109   HD22  ASN  15          HD22      ASN  15   1.800  -1.149   0.001
  110    HA   HYP  16           HA       HYP  16   7.363  -5.590  -1.746
  111    HB2  HYP  16           HB1      HYP  16   7.456  -7.728  -1.126
  112    HB3  HYP  16           HB2      HYP  16   5.894  -7.964  -1.902
  113    HG   HYP  16           HG       HYP  16   4.897  -8.240   0.091
  114   HD22  HYP  16          HD22      HYP  16   4.519  -6.225   1.082
  115   HD23  HYP  16          HD23      HYP  16   6.178  -6.179   1.656
  116    HD1  HYP  16           HD1      HYP  16   6.713  -7.822   1.902
  117    H    HIS  17           HN       HIS  17   3.868  -6.191  -1.649
  118    HA   HIS  17           HA       HIS  17   3.463  -4.731  -4.067
  119    HB2  HIS  17           HB2      HIS  17   2.625  -6.567  -5.470
  120    HB3  HIS  17           HB1      HIS  17   4.325  -6.776  -5.085
  121    HD1  HIS  17           HD1      HIS  17   1.053  -8.431  -4.858
  122    HD2  HIS  17           HD2      HIS  17   4.833  -8.905  -3.199
  123    HE1  HIS  17           HE1      HIS  17   1.074 -10.743  -3.869
  124    HE2  HIS  17           HE2      HIS  17   3.308 -10.935  -2.719
  125    H    VAL  18           HN       VAL  18   2.385  -4.378  -1.585
  126    HA   VAL  18           HA       VAL  18  -0.256  -5.575  -1.563
  127    HB   VAL  18           HB       VAL  18   0.811  -3.393   0.242
  128   HG11  VAL  18          HG11      VAL  18  -1.583  -5.211   0.531
  129   HG12  VAL  18          HG12      VAL  18  -1.633  -3.487   0.161
  130   HG13  VAL  18          HG13      VAL  18  -1.028  -4.038   1.723
  131   HG21  VAL  18          HG21      VAL  18   0.635  -6.364   0.736
  132   HG22  VAL  18          HG22      VAL  18   1.209  -5.145   1.873
  133   HG23  VAL  18          HG23      VAL  18   2.116  -5.474   0.398
  134    H    CYS  19           HN       CYS  19  -0.552  -4.716  -3.755
  135    HA   CYS  19           HA       CYS  19  -2.592  -2.818  -3.713
  136    HB2  CYS  19           HB2      CYS  19  -0.858  -1.119  -3.494
  137    HB3  CYS  19           HB1      CYS  19   0.008  -1.785  -4.876
  Start of MODEL    2
    1    H1   ILE   1           HT1      ILE   1 -11.505  -6.466   1.404
    2    H2   ILE   1           HT2      ILE   1 -10.959  -7.759   2.348
    3    H3   ILE   1           HT3      ILE   1 -10.602  -7.706   0.697
    4    HA   ILE   1           HA       ILE   1  -9.640  -5.790   2.726
    5    HB   ILE   1           HB       ILE   1  -8.585  -7.998   2.949
    6   HG12  ILE   1          HG12      ILE   1  -6.213  -7.275   2.622
    7   HG13  ILE   1          HG11      ILE   1  -6.810  -5.860   1.759
    8   HG21  ILE   1          HG21      ILE   1  -7.756  -7.634   0.076
    9   HG22  ILE   1          HG22      ILE   1  -8.894  -8.831   0.692
   10   HG23  ILE   1          HG23      ILE   1  -7.194  -8.912   1.152
   11   HD11  ILE   1          HD11      ILE   1  -7.380  -6.545   4.633
   12   HD12  ILE   1          HD12      ILE   1  -7.981  -5.131   3.769
   13   HD13  ILE   1          HD13      ILE   1  -6.254  -5.321   4.054
   14    H    ARG   2           HN       ARG   2  -8.517  -4.042   1.941
   15    HA   ARG   2           HA       ARG   2  -8.162  -3.806  -0.936
   16    HB2  ARG   2           HB2      ARG   2 -10.354  -2.800  -0.309
   17    HB3  ARG   2           HB1      ARG   2  -9.507  -1.713   0.775
   18    HG2  ARG   2           HG2      ARG   2 -10.065  -0.558  -1.254
   19    HG3  ARG   2           HG1      ARG   2  -8.314  -0.753  -1.156
   20    HD2  ARG   2           HD2      ARG   2  -9.902  -2.815  -2.603
   21    HD3  ARG   2           HD1      ARG   2  -9.638  -1.256  -3.383
   22    HE   ARG   2           HE       ARG   2  -7.195  -1.712  -2.986
   23   HH11  ARG   2          HH11      ARG   2  -9.505  -4.321  -3.370
   24   HH12  ARG   2          HH12      ARG   2  -8.330  -5.432  -3.996
   25   HH21  ARG   2          HH21      ARG   2  -5.659  -3.174  -3.831
   26   HH22  ARG   2          HH22      ARG   2  -6.149  -4.784  -4.258
   27    H    ASP   3           HN       ASP   3  -6.202  -3.015  -1.413
   28    HA   ASP   3           HA       ASP   3  -4.442  -2.142   0.676
   29    HB2  ASP   3           HB2      ASP   3  -4.045  -2.211  -2.324
   30    HB3  ASP   3           HB1      ASP   3  -2.783  -1.843  -1.154
   31    H    GLU   4           HN       GLU   4  -5.706  -0.318   1.383
   32    HA   GLU   4           HA       GLU   4  -6.164   1.926  -0.330
   33    HB2  GLU   4           HB2      GLU   4  -6.188   1.814   2.691
   34    HB3  GLU   4           HB1      GLU   4  -6.933   3.047   1.680
   35    HG2  GLU   4           HG2      GLU   4  -8.480   1.399   0.784
   36    HG3  GLU   4           HG1      GLU   4  -7.719   0.144   1.761
   37    H    CYS   5           HN       CYS   5  -3.579   0.834   1.661
   38    HA   CYS   5           HA       CYS   5  -2.264   3.299   2.033
   39    HB2  CYS   5           HB2      CYS   5  -0.530   2.036   2.952
   40    HB3  CYS   5           HB1      CYS   5  -1.966   1.101   3.308
   41    H    CYS   6           HN       CYS   6  -2.810   1.552  -0.731
   42    HA   CYS   6           HA       CYS   6  -0.442   1.696  -2.202
   43    HB2  CYS   6           HB2      CYS   6  -2.402   0.472  -2.961
   44    HB3  CYS   6           HB1      CYS   6  -3.329   1.960  -3.068
   45    H    SER   7           HN       SER   7  -2.688   4.193  -1.295
   46    HA   SER   7           HA       SER   7  -1.535   6.136  -3.130
   47    HB2  SER   7           HB2      SER   7  -3.639   6.521  -0.981
   48    HB3  SER   7           HB1      SER   7  -3.234   7.658  -2.268
   49    HG   SER   7           HG       SER   7  -3.972   6.133  -3.778
   50    H    ASN   8           HN       ASN   8  -0.216   4.769  -0.766
   51    HA   ASN   8           HA       ASN   8   0.922   7.172   0.493
   52    HB2  ASN   8           HB2      ASN   8   0.323   4.499   1.772
   53    HB3  ASN   8           HB1      ASN   8   1.209   5.800   2.553
   54   HD21  ASN   8          HD21      ASN   8  -1.891   4.814   1.295
   55   HD22  ASN   8          HD22      ASN   8  -2.844   5.926   2.213
   56    HA   PRO   9           HA       PRO   9   4.259   5.064  -1.729
   57    HB2  PRO   9           HB2      PRO   9   5.731   7.396  -0.606
   58    HB3  PRO   9           HB1      PRO   9   5.712   6.780  -2.260
   59    HG2  PRO   9           HG2      PRO   9   4.389   8.993  -1.627
   60    HG3  PRO   9           HG1      PRO   9   3.685   7.810  -2.747
   61    HD2  PRO   9           HD2      PRO   9   3.060   8.295   0.136
   62    HD3  PRO   9           HD1      PRO   9   1.970   7.910  -1.207
   63    H    VAL  10           HN       VAL  10   4.051   6.055   1.584
   64    HA   VAL  10           HA       VAL  10   6.551   4.955   2.445
   65    HB   VAL  10           HB       VAL  10   5.035   6.728   3.587
   66   HG11  VAL  10          HG11      VAL  10   3.895   4.228   4.792
   67   HG12  VAL  10          HG12      VAL  10   3.035   5.409   3.807
   68   HG13  VAL  10          HG13      VAL  10   3.640   5.863   5.399
   69   HG21  VAL  10          HG21      VAL  10   7.193   6.020   4.451
   70   HG22  VAL  10          HG22      VAL  10   6.440   4.612   5.201
   71   HG23  VAL  10          HG23      VAL  10   6.036   6.233   5.766
   72    H    CYS  11           HN       CYS  11   3.322   3.783   2.044
   73    HA   CYS  11           HA       CYS  11   3.754   1.354   3.496
   74    HB2  CYS  11           HB2      CYS  11   1.479   2.211   3.230
   75    HB3  CYS  11           HB1      CYS  11   1.599   2.025   1.484
   76    H    ARG  12           HN       ARG  12   3.877   2.301   0.093
   77    HA   ARG  12           HA       ARG  12   4.161  -0.412  -0.691
   78    HB2  ARG  12           HB2      ARG  12   4.502   0.642  -3.023
   79    HB3  ARG  12           HB1      ARG  12   2.919   0.660  -2.266
   80    HG2  ARG  12           HG2      ARG  12   3.458   2.923  -1.430
   81    HG3  ARG  12           HG1      ARG  12   4.899   2.895  -2.451
   82    HD2  ARG  12           HD2      ARG  12   2.009   2.960  -3.206
   83    HD3  ARG  12           HD1      ARG  12   3.335   3.962  -3.796
   84    HE   ARG  12           HE       ARG  12   3.108   1.108  -4.509
   85   HH11  ARG  12          HH11      ARG  12   3.518   4.457  -5.449
   86   HH12  ARG  12          HH12      ARG  12   3.727   4.085  -7.126
   87   HH21  ARG  12          HH21      ARG  12   3.338   0.616  -6.704
   88   HH22  ARG  12          HH22      ARG  12   3.642   1.899  -7.844
   89    H    VAL  13           HN       VAL  13   6.368   2.009   0.137
   90    HA   VAL  13           HA       VAL  13   8.607   0.840  -1.164
   91    HB   VAL  13           HB       VAL  13   9.913   2.162   0.525
   92   HG11  VAL  13          HG11      VAL  13   7.869   3.642  -1.106
   93   HG12  VAL  13          HG12      VAL  13   9.419   3.034  -1.685
   94   HG13  VAL  13          HG13      VAL  13   9.372   4.322  -0.482
   95   HG21  VAL  13          HG21      VAL  13   8.412   2.246   2.351
   96   HG22  VAL  13          HG22      VAL  13   7.152   2.970   1.356
   97   HG23  VAL  13          HG23      VAL  13   8.602   3.896   1.758
   98    H    ASN  14           HN       ASN  14   7.215   0.554   2.118
   99    HA   ASN  14           HA       ASN  14   9.271  -1.319   2.892
  100    HB2  ASN  14           HB2      ASN  14   8.379  -1.292   5.043
  101    HB3  ASN  14           HB1      ASN  14   8.016   0.323   4.462
  102   HD21  ASN  14          HD21      ASN  14   5.881   0.902   4.097
  103   HD22  ASN  14          HD22      ASN  14   4.554  -0.056   4.659
  104    H    ASN  15           HN       ASN  15   5.917  -1.446   1.905
  105    HA   ASN  15           HA       ASN  15   5.902  -4.334   1.958
  106    HB2  ASN  15           HB2      ASN  15   3.908  -2.286   2.114
  107    HB3  ASN  15           HB1      ASN  15   3.612  -3.332   0.727
  108   HD21  ASN  15          HD21      ASN  15   1.796  -4.222   1.581
  109   HD22  ASN  15          HD22      ASN  15   1.824  -5.339   2.905
  110    HA   HYP  16           HA       HYP  16   7.840  -3.775  -1.989
  111    HB2  HYP  16           HB1      HYP  16   9.085  -5.640  -2.002
  112    HB3  HYP  16           HB2      HYP  16   7.664  -6.685  -2.089
  113    HG   HYP  16           HG       HYP  16   8.373  -7.228   0.055
  114   HD22  HYP  16          HD22      HYP  16   6.319  -6.297   0.655
  115   HD23  HYP  16          HD23      HYP  16   7.355  -5.171   1.484
  116    HD1  HYP  16           HD1      HYP  16   8.928  -4.788   1.022
  117    H    HIS  17           HN       HIS  17   6.081  -2.848  -3.048
  118    HA   HIS  17           HA       HIS  17   4.742  -2.640  -4.846
  119    HB2  HIS  17           HB2      HIS  17   6.661  -3.990  -5.830
  120    HB3  HIS  17           HB1      HIS  17   5.622  -5.401  -5.679
  121    HD1  HIS  17           HD1      HIS  17   4.843  -5.946  -7.962
  122    HD2  HIS  17           HD2      HIS  17   4.773  -1.851  -7.242
  123    HE1  HIS  17           HE1      HIS  17   3.871  -4.910 -10.035
  124    HE2  HIS  17           HE2      HIS  17   3.742  -2.444  -9.539
  125    H    VAL  18           HN       VAL  18   3.508  -3.677  -2.446
  126    HA   VAL  18           HA       VAL  18   1.492  -5.509  -3.321
  127    HB   VAL  18           HB       VAL  18   0.315  -4.862  -1.266
  128   HG11  VAL  18          HG11      VAL  18   2.126  -6.544  -1.240
  129   HG12  VAL  18          HG12      VAL  18   1.933  -5.713   0.299
  130   HG13  VAL  18          HG13      VAL  18   3.257  -5.273  -0.778
  131   HG21  VAL  18          HG21      VAL  18   2.539  -2.856  -0.932
  132   HG22  VAL  18          HG22      VAL  18   1.315  -3.239   0.278
  133   HG23  VAL  18          HG23      VAL  18   0.844  -2.487  -1.246
  134    H    CYS  19           HN       CYS  19   2.204  -2.335  -3.920
  135    HA   CYS  19           HA       CYS  19  -0.428  -1.846  -5.103
  136    HB2  CYS  19           HB2      CYS  19  -0.510  -0.308  -3.359
  137    HB3  CYS  19           HB1      CYS  19   1.229  -0.054  -3.363
  Start of MODEL    3
    1    H1   ILE   1           HT1      ILE   1  -9.769  -5.876   4.355
    2    H2   ILE   1           HT2      ILE   1 -11.246  -5.505   3.629
    3    H3   ILE   1           HT3      ILE   1 -11.143  -5.641   5.310
    4    HA   ILE   1           HA       ILE   1 -11.254  -3.339   4.643
    5    HB   ILE   1           HB       ILE   1  -9.227  -2.502   5.764
    6   HG12  ILE   1          HG12      ILE   1  -8.346  -5.395   5.858
    7   HG13  ILE   1          HG11      ILE   1  -7.664  -4.189   4.771
    8   HG21  ILE   1          HG21      ILE   1 -10.469  -4.907   7.087
    9   HG22  ILE   1          HG22      ILE   1 -11.101  -3.261   7.100
   10   HG23  ILE   1          HG23      ILE   1  -9.578  -3.627   7.910
   11   HD11  ILE   1          HD11      ILE   1  -7.603  -4.058   7.776
   12   HD12  ILE   1          HD12      ILE   1  -6.866  -2.906   6.664
   13   HD13  ILE   1          HD13      ILE   1  -6.269  -4.562   6.741
   14    H    ARG   2           HN       ARG   2 -10.642  -1.699   3.309
   15    HA   ARG   2           HA       ARG   2  -9.024  -2.387   1.032
   16    HB2  ARG   2           HB2      ARG   2 -10.511   0.137   1.757
   17    HB3  ARG   2           HB1      ARG   2  -9.599  -0.067   0.269
   18    HG2  ARG   2           HG2      ARG   2 -11.946  -1.763   1.099
   19    HG3  ARG   2           HG1      ARG   2 -12.019  -0.405  -0.024
   20    HD2  ARG   2           HD2      ARG   2 -11.915  -2.385  -1.335
   21    HD3  ARG   2           HD1      ARG   2 -10.334  -1.618  -1.441
   22    HE   ARG   2           HE       ARG   2 -10.849  -3.861   0.402
   23   HH11  ARG   2          HH11      ARG   2  -8.953  -2.376  -2.148
   24   HH12  ARG   2          HH12      ARG   2  -7.750  -3.626  -2.147
   25   HH21  ARG   2          HH21      ARG   2  -9.262  -5.486   0.416
   26   HH22  ARG   2          HH22      ARG   2  -7.925  -5.396  -0.689
   27    H    ASP   3           HN       ASP   3  -7.042  -1.491   0.498
   28    HA   ASP   3           HA       ASP   3  -5.611  -0.449   2.821
   29    HB2  ASP   3           HB2      ASP   3  -4.599  -1.787   0.308
   30    HB3  ASP   3           HB1      ASP   3  -3.558  -1.118   1.556
   31    H    GLU   4           HN       GLU   4  -5.935   1.707   2.767
   32    HA   GLU   4           HA       GLU   4  -5.717   3.429   0.591
   33    HB2  GLU   4           HB2      GLU   4  -6.489   3.910   2.984
   34    HB3  GLU   4           HB1      GLU   4  -4.785   4.076   3.384
   35    HG2  GLU   4           HG2      GLU   4  -4.718   5.779   1.469
   36    HG3  GLU   4           HG1      GLU   4  -6.475   5.767   1.608
   37    H    CYS   5           HN       CYS   5  -3.388   1.486   2.024
   38    HA   CYS   5           HA       CYS   5  -1.075   3.008   1.977
   39    HB2  CYS   5           HB2      CYS   5  -1.738   0.119   1.954
   40    HB3  CYS   5           HB1      CYS   5  -0.090   0.584   1.569
   41    H    CYS   6           HN       CYS   6  -2.913   1.908  -0.671
   42    HA   CYS   6           HA       CYS   6  -0.958   1.707  -2.661
   43    HB2  CYS   6           HB2      CYS   6  -3.802   2.724  -2.783
   44    HB3  CYS   6           HB1      CYS   6  -2.831   2.302  -4.185
   45    H    SER   7           HN       SER   7  -2.648   4.523  -1.302
   46    HA   SER   7           HA       SER   7  -1.297   6.300  -3.179
   47    HB2  SER   7           HB2      SER   7  -2.704   8.061  -2.079
   48    HB3  SER   7           HB1      SER   7  -3.635   6.758  -2.815
   49    HG   SER   7           HG       SER   7  -3.510   7.543  -0.218
   50    H    ASN   8           HN       ASN   8  -0.736   4.958  -0.204
   51    HA   ASN   8           HA       ASN   8   0.890   7.182   0.790
   52    HB2  ASN   8           HB2      ASN   8   0.132   4.516   1.965
   53    HB3  ASN   8           HB1      ASN   8   1.273   5.607   2.737
   54   HD21  ASN   8          HD21      ASN   8  -2.047   5.212   1.711
   55   HD22  ASN   8          HD22      ASN   8  -2.727   6.391   2.790
   56    HA   PRO   9           HA       PRO   9   3.972   5.068  -1.705
   57    HB2  PRO   9           HB2      PRO   9   5.990   6.875  -1.129
   58    HB3  PRO   9           HB1      PRO   9   4.832   7.035  -2.451
   59    HG2  PRO   9           HG2      PRO   9   4.771   8.273   0.266
   60    HG3  PRO   9           HG1      PRO   9   4.376   8.994  -1.308
   61    HD2  PRO   9           HD2      PRO   9   2.455   8.194   0.347
   62    HD3  PRO   9           HD1      PRO   9   2.296   7.955  -1.400
   63    H    VAL  10           HN       VAL  10   4.080   5.893   1.663
   64    HA   VAL  10           HA       VAL  10   6.636   4.728   2.214
   65    HB   VAL  10           HB       VAL  10   5.462   6.412   3.660
   66   HG11  VAL  10          HG11      VAL  10   3.868   4.043   4.578
   67   HG12  VAL  10          HG12      VAL  10   3.251   5.453   3.724
   68   HG13  VAL  10          HG13      VAL  10   3.895   5.626   5.355
   69   HG21  VAL  10          HG21      VAL  10   7.431   5.289   4.460
   70   HG22  VAL  10          HG22      VAL  10   6.474   3.889   4.945
   71   HG23  VAL  10          HG23      VAL  10   6.273   5.426   5.784
   72    H    CYS  11           HN       CYS  11   3.335   3.606   2.314
   73    HA   CYS  11           HA       CYS  11   3.785   1.103   3.478
   74    HB2  CYS  11           HB2      CYS  11   1.679   2.067   1.557
   75    HB3  CYS  11           HB1      CYS  11   1.667   0.473   2.281
   76    H    ARG  12           HN       ARG  12   3.739   2.147   0.096
   77    HA   ARG  12           HA       ARG  12   3.969  -0.489  -0.903
   78    HB2  ARG  12           HB2      ARG  12   4.678   1.181  -2.994
   79    HB3  ARG  12           HB1      ARG  12   3.086   0.514  -2.658
   80    HG2  ARG  12           HG2      ARG  12   2.754   2.529  -1.142
   81    HG3  ARG  12           HG1      ARG  12   4.173   3.201  -1.938
   82    HD2  ARG  12           HD2      ARG  12   1.587   2.355  -3.197
   83    HD3  ARG  12           HD1      ARG  12   2.156   4.005  -2.989
   84    HE   ARG  12           HE       ARG  12   4.057   2.642  -4.499
   85   HH11  ARG  12          HH11      ARG  12   0.739   3.731  -4.771
   86   HH12  ARG  12          HH12      ARG  12   0.791   3.864  -6.502
   87   HH21  ARG  12          HH21      ARG  12   4.126   2.810  -6.777
   88   HH22  ARG  12          HH22      ARG  12   2.716   3.327  -7.643
   89    H    VAL  13           HN       VAL  13   6.286   1.905   0.008
   90    HA   VAL  13           HA       VAL  13   8.431   0.501  -1.306
   91    HB   VAL  13           HB       VAL  13   9.834   2.252  -0.463
   92   HG11  VAL  13          HG11      VAL  13   8.726   2.777  -2.462
   93   HG12  VAL  13          HG12      VAL  13   8.540   4.205  -1.441
   94   HG13  VAL  13          HG13      VAL  13   7.200   3.060  -1.620
   95   HG21  VAL  13          HG21      VAL  13   8.961   4.081   0.909
   96   HG22  VAL  13          HG22      VAL  13   8.902   2.538   1.761
   97   HG23  VAL  13          HG23      VAL  13   7.432   3.216   1.061
   98    H    ASN  14           HN       ASN  14   6.992   0.643   1.866
   99    HA   ASN  14           HA       ASN  14   9.218  -0.728   3.126
  100    HB2  ASN  14           HB2      ASN  14   7.797   0.897   4.381
  101    HB3  ASN  14           HB1      ASN  14   6.435  -0.204   4.201
  102   HD21  ASN  14          HD21      ASN  14   6.156  -0.578   6.358
  103   HD22  ASN  14          HD22      ASN  14   7.297  -1.445   7.326
  104    H    ASN  15           HN       ASN  15   6.067  -1.438   1.835
  105    HA   ASN  15           HA       ASN  15   6.624  -4.301   1.950
  106    HB2  ASN  15           HB2      ASN  15   5.204  -3.748   3.905
  107    HB3  ASN  15           HB1      ASN  15   4.031  -3.030   2.806
  108   HD21  ASN  15          HD21      ASN  15   2.423  -4.471   3.491
  109   HD22  ASN  15          HD22      ASN  15   2.427  -6.134   3.012
  110    HA   HYP  16           HA       HYP  16   5.301  -2.805  -2.153
  111    HB2  HYP  16           HB1      HYP  16   7.263  -3.056  -3.202
  112    HB3  HYP  16           HB2      HYP  16   7.091  -4.811  -3.180
  113    HG   HYP  16           HG       HYP  16   8.949  -4.674  -1.820
  114   HD22  HYP  16          HD22      HYP  16   7.422  -5.495  -0.245
  115   HD23  HYP  16          HD23      HYP  16   7.905  -4.022   0.575
  116    HD1  HYP  16           HD1      HYP  16   8.294  -2.472  -0.362
  117    H    HIS  17           HN       HIS  17   3.655  -4.597  -0.734
  118    HA   HIS  17           HA       HIS  17   2.308  -5.681  -2.980
  119    HB2  HIS  17           HB2      HIS  17   2.167  -8.035  -2.233
  120    HB3  HIS  17           HB1      HIS  17   3.791  -7.574  -2.709
  121    HD1  HIS  17           HD1      HIS  17   5.590  -8.192  -1.120
  122    HD2  HIS  17           HD2      HIS  17   1.858  -8.116   0.708
  123    HE1  HIS  17           HE1      HIS  17   5.955  -9.094   1.199
  124    HE2  HIS  17           HE2      HIS  17   3.668  -9.131   2.252
  125    H    VAL  18           HN       VAL  18   1.965  -3.836  -0.691
  126    HA   VAL  18           HA       VAL  18  -0.530  -5.011   0.325
  127    HB   VAL  18           HB       VAL  18   0.965  -4.501   2.153
  128   HG11  VAL  18          HG11      VAL  18   2.345  -2.779   1.157
  129   HG12  VAL  18          HG12      VAL  18   1.662  -2.208   2.679
  130   HG13  VAL  18          HG13      VAL  18   0.981  -1.662   1.148
  131   HG21  VAL  18          HG21      VAL  18  -1.316  -2.541   2.010
  132   HG22  VAL  18          HG22      VAL  18  -0.486  -3.046   3.481
  133   HG23  VAL  18          HG23      VAL  18  -1.410  -4.219   2.544
  134    H    CYS  19           HN       CYS  19  -1.458  -4.440  -1.703
  135    HA   CYS  19           HA       CYS  19  -2.814  -1.934  -1.593
  136    HB2  CYS  19           HB2      CYS  19  -0.765  -1.126  -2.621
  137    HB3  CYS  19           HB1      CYS  19  -0.836  -2.396  -3.840
  Start of MODEL    4
    1    H1   ILE   1           HT1      ILE   1 -11.243  -3.444   7.415
    2    H2   ILE   1           HT2      ILE   1 -11.413  -4.269   5.950
    3    H3   ILE   1           HT3      ILE   1 -11.861  -2.644   6.060
    4    HA   ILE   1           HA       ILE   1  -9.610  -1.979   6.421
    5    HB   ILE   1           HB       ILE   1  -8.854  -4.014   7.595
    6   HG12  ILE   1          HG12      ILE   1  -7.210  -3.395   5.129
    7   HG13  ILE   1          HG11      ILE   1  -7.195  -2.468   6.623
    8   HG21  ILE   1          HG21      ILE   1  -8.896  -5.300   4.869
    9   HG22  ILE   1          HG22      ILE   1  -9.940  -5.701   6.231
   10   HG23  ILE   1          HG23      ILE   1  -8.208  -6.013   6.328
   11   HD11  ILE   1          HD11      ILE   1  -6.331  -5.333   6.322
   12   HD12  ILE   1          HD12      ILE   1  -6.311  -4.400   7.818
   13   HD13  ILE   1          HD13      ILE   1  -5.269  -3.933   6.474
   14    H    ARG   2           HN       ARG   2  -8.595  -1.210   4.623
   15    HA   ARG   2           HA       ARG   2  -9.205  -2.490   2.070
   16    HB2  ARG   2           HB2      ARG   2 -10.647  -0.507   2.390
   17    HB3  ARG   2           HB1      ARG   2  -9.213   0.479   2.632
   18    HG2  ARG   2           HG2      ARG   2  -8.492  -0.135   0.322
   19    HG3  ARG   2           HG1      ARG   2 -10.057  -0.922   0.108
   20    HD2  ARG   2           HD2      ARG   2  -9.619   1.987   0.770
   21    HD3  ARG   2           HD1      ARG   2 -10.049   1.348  -0.814
   22    HE   ARG   2           HE       ARG   2 -12.118   0.492   0.389
   23   HH11  ARG   2          HH11      ARG   2 -10.429   3.414   1.361
   24   HH12  ARG   2          HH12      ARG   2 -11.870   4.181   1.956
   25   HH21  ARG   2          HH21      ARG   2 -13.993   1.510   1.181
   26   HH22  ARG   2          HH22      ARG   2 -13.886   3.101   1.863
   27    H    ASP   3           HN       ASP   3  -7.536  -2.528   0.597
   28    HA   ASP   3           HA       ASP   3  -4.908  -2.052   1.666
   29    HB2  ASP   3           HB2      ASP   3  -5.761  -3.017  -1.073
   30    HB3  ASP   3           HB1      ASP   3  -4.107  -2.997  -0.470
   31    H    GLU   4           HN       GLU   4  -4.871   0.176   1.945
   32    HA   GLU   4           HA       GLU   4  -5.169   1.815  -0.474
   33    HB2  GLU   4           HB2      GLU   4  -5.247   2.678   2.417
   34    HB3  GLU   4           HB1      GLU   4  -5.586   3.688   1.016
   35    HG2  GLU   4           HG2      GLU   4  -7.520   2.337   0.478
   36    HG3  GLU   4           HG1      GLU   4  -7.167   1.266   1.832
   37    H    CYS   5           HN       CYS   5  -2.750   0.330   0.945
   38    HA   CYS   5           HA       CYS   5  -0.856   2.273   1.568
   39    HB2  CYS   5           HB2      CYS   5  -0.641  -0.551   0.572
   40    HB3  CYS   5           HB1      CYS   5   0.769   0.410   0.975
   41    H    CYS   6           HN       CYS   6  -2.217   1.493  -1.429
   42    HA   CYS   6           HA       CYS   6  -0.110   2.182  -3.165
   43    HB2  CYS   6           HB2      CYS   6  -3.103   2.164  -3.384
   44    HB3  CYS   6           HB1      CYS   6  -2.106   2.735  -4.710
   45    H    SER   7           HN       SER   7  -2.470   4.049  -1.362
   46    HA   SER   7           HA       SER   7  -1.694   6.538  -2.655
   47    HB2  SER   7           HB2      SER   7  -3.579   6.074  -0.329
   48    HB3  SER   7           HB1      SER   7  -3.420   7.556  -1.270
   49    HG   SER   7           HG       SER   7  -4.233   6.481  -3.058
   50    H    ASN   8           HN       ASN   8  -0.071   4.720  -0.725
   51    HA   ASN   8           HA       ASN   8   0.972   6.899   0.939
   52    HB2  ASN   8           HB2      ASN   8   0.431   4.063   1.810
   53    HB3  ASN   8           HB1      ASN   8   1.303   5.252   2.767
   54   HD21  ASN   8          HD21      ASN   8  -1.788   4.344   1.456
   55   HD22  ASN   8          HD22      ASN   8  -2.742   5.348   2.500
   56    HA   PRO   9           HA       PRO   9   4.314   5.209  -1.614
   57    HB2  PRO   9           HB2      PRO   9   5.683   7.512  -0.317
   58    HB3  PRO   9           HB1      PRO   9   5.653   7.044  -2.020
   59    HG2  PRO   9           HG2      PRO   9   4.219   9.105  -1.161
   60    HG3  PRO   9           HG1      PRO   9   3.552   7.982  -2.362
   61    HD2  PRO   9           HD2      PRO   9   2.991   8.178   0.567
   62    HD3  PRO   9           HD1      PRO   9   1.883   7.843  -0.774
   63    H    VAL  10           HN       VAL  10   4.163   5.776   1.809
   64    HA   VAL  10           HA       VAL  10   6.759   4.627   2.330
   65    HB   VAL  10           HB       VAL  10   5.590   6.258   3.858
   66   HG11  VAL  10          HG11      VAL  10   4.040   3.851   4.751
   67   HG12  VAL  10          HG12      VAL  10   3.379   5.223   3.869
   68   HG13  VAL  10          HG13      VAL  10   4.018   5.448   5.495
   69   HG21  VAL  10          HG21      VAL  10   6.582   3.680   5.048
   70   HG22  VAL  10          HG22      VAL  10   6.444   5.213   5.910
   71   HG23  VAL  10          HG23      VAL  10   7.569   5.058   4.562
   72    H    CYS  11           HN       CYS  11   3.429   3.559   2.402
   73    HA   CYS  11           HA       CYS  11   4.123   0.992   3.476
   74    HB2  CYS  11           HB2      CYS  11   1.957   2.139   3.965
   75    HB3  CYS  11           HB1      CYS  11   1.471   1.820   2.302
   76    H    ARG  12           HN       ARG  12   3.344   2.245   0.237
   77    HA   ARG  12           HA       ARG  12   3.236  -0.323  -0.923
   78    HB2  ARG  12           HB2      ARG  12   3.589   0.897  -3.096
   79    HB3  ARG  12           HB1      ARG  12   2.161   1.323  -2.163
   80    HG2  ARG  12           HG2      ARG  12   3.378   3.220  -1.254
   81    HG3  ARG  12           HG1      ARG  12   4.741   2.840  -2.307
   82    HD2  ARG  12           HD2      ARG  12   1.948   3.611  -3.120
   83    HD3  ARG  12           HD1      ARG  12   3.426   4.542  -3.378
   84    HE   ARG  12           HE       ARG  12   4.061   2.395  -4.733
   85   HH11  ARG  12          HH11      ARG  12   0.983   4.071  -4.666
   86   HH12  ARG  12          HH12      ARG  12   0.493   3.478  -6.222
   87   HH21  ARG  12          HH21      ARG  12   3.419   1.629  -6.773
   88   HH22  ARG  12          HH22      ARG  12   1.875   2.086  -7.420
   89    H    VAL  13           HN       VAL  13   5.797   1.743  -0.075
   90    HA   VAL  13           HA       VAL  13   7.723   0.327  -1.693
   91    HB   VAL  13           HB       VAL  13   7.874   2.735   0.088
   92   HG11  VAL  13          HG11      VAL  13  10.102   1.480  -1.502
   93   HG12  VAL  13          HG12      VAL  13   9.978   1.515   0.256
   94   HG13  VAL  13          HG13      VAL  13  10.171   3.018  -0.643
   95   HG21  VAL  13          HG21      VAL  13   8.309   2.438  -2.870
   96   HG22  VAL  13          HG22      VAL  13   8.068   3.926  -1.951
   97   HG23  VAL  13          HG23      VAL  13   6.736   2.775  -2.145
   98    H    ASN  14           HN       ASN  14   7.404   1.119   1.789
   99    HA   ASN  14           HA       ASN  14   9.534  -0.576   2.560
  100    HB2  ASN  14           HB2      ASN  14   8.843   1.281   3.970
  101    HB3  ASN  14           HB1      ASN  14   7.253   0.559   4.192
  102   HD21  ASN  14          HD21      ASN  14   6.973  -1.011   5.680
  103   HD22  ASN  14          HD22      ASN  14   8.213  -1.548   6.762
  104    H    ASN  15           HN       ASN  15   6.017  -1.013   2.646
  105    HA   ASN  15           HA       ASN  15   6.303  -3.846   3.204
  106    HB2  ASN  15           HB2      ASN  15   4.198  -1.856   3.391
  107    HB3  ASN  15           HB1      ASN  15   3.650  -3.242   2.455
  108   HD21  ASN  15          HD21      ASN  15   3.146  -5.097   3.475
  109   HD22  ASN  15          HD22      ASN  15   3.288  -5.336   5.187
  110    HA   HYP  16           HA       HYP  16   6.260  -5.179  -1.000
  111    HB2  HYP  16           HB1      HYP  16   6.283  -7.348  -0.482
  112    HB3  HYP  16           HB2      HYP  16   4.524  -7.343  -0.540
  113    HG   HYP  16           HG       HYP  16   4.463  -7.704   1.676
  114   HD22  HYP  16          HD22      HYP  16   4.526  -5.639   2.633
  115   HD23  HYP  16          HD23      HYP  16   6.271  -5.755   2.696
  116    HD1  HYP  16           HD1      HYP  16   6.950  -7.244   2.462
  117    H    HIS  17           HN       HIS  17   4.658  -3.101  -0.903
  118    HA   HIS  17           HA       HIS  17   3.095  -2.062  -2.167
  119    HB2  HIS  17           HB2      HIS  17   2.590  -4.835  -3.207
  120    HB3  HIS  17           HB1      HIS  17   1.586  -3.472  -3.687
  121    HD1  HIS  17           HD1      HIS  17   4.808  -5.112  -4.367
  122    HD2  HIS  17           HD2      HIS  17   3.001  -1.455  -5.171
  123    HE1  HIS  17           HE1      HIS  17   6.160  -4.082  -6.218
  124    HE2  HIS  17           HE2      HIS  17   4.948  -1.954  -6.798
  125    H    VAL  18           HN       VAL  18   1.879  -5.007  -0.605
  126    HA   VAL  18           HA       VAL  18   0.072  -5.419   0.690
  127    HB   VAL  18           HB       VAL  18  -0.072  -2.416   0.835
  128   HG11  VAL  18          HG11      VAL  18  -2.326  -3.348   1.127
  129   HG12  VAL  18          HG12      VAL  18  -1.699  -2.675   2.632
  130   HG13  VAL  18          HG13      VAL  18  -1.711  -4.421   2.386
  131   HG21  VAL  18          HG21      VAL  18   0.739  -4.479   2.872
  132   HG22  VAL  18          HG22      VAL  18   0.771  -2.729   3.081
  133   HG23  VAL  18          HG23      VAL  18   1.844  -3.496   1.914
  134    H    CYS  19           HN       CYS  19  -0.692  -2.741  -1.541
  135    HA   CYS  19           HA       CYS  19  -3.223  -4.026  -2.202
  136    HB2  CYS  19           HB2      CYS  19  -3.428  -1.910  -3.685
  137    HB3  CYS  19           HB1      CYS  19  -3.548  -1.724  -1.940
  Start of MODEL    5
    1    H1   ILE   1           HT1      ILE   1 -12.369  -1.645   0.143
    2    H2   ILE   1           HT2      ILE   1 -12.791  -0.526  -1.046
    3    H3   ILE   1           HT3      ILE   1 -11.859  -0.043   0.278
    4    HA   ILE   1           HA       ILE   1 -11.017  -1.982  -1.788
    5    HB   ILE   1           HB       ILE   1  -9.378  -0.229  -2.438
    6   HG12  ILE   1          HG12      ILE   1 -11.098   1.598  -0.740
    7   HG13  ILE   1          HG11      ILE   1  -9.475   1.066  -0.318
    8   HG21  ILE   1          HG21      ILE   1 -11.373  -0.574  -3.761
    9   HG22  ILE   1          HG22      ILE   1 -10.973   1.142  -3.717
   10   HG23  ILE   1          HG23      ILE   1 -12.286   0.517  -2.719
   11   HD11  ILE   1          HD11      ILE   1  -9.467   3.317  -1.224
   12   HD12  ILE   1          HD12      ILE   1 -10.211   2.732  -2.712
   13   HD13  ILE   1          HD13      ILE   1  -8.585   2.209  -2.274
   14    H    ARG   2           HN       ARG   2  -8.988  -2.884  -1.478
   15    HA   ARG   2           HA       ARG   2  -7.942  -2.622   1.223
   16    HB2  ARG   2           HB2      ARG   2  -7.380  -4.763  -0.822
   17    HB3  ARG   2           HB1      ARG   2  -6.847  -4.769   0.851
   18    HG2  ARG   2           HG2      ARG   2  -9.070  -5.068   1.641
   19    HG3  ARG   2           HG1      ARG   2  -9.739  -4.787   0.031
   20    HD2  ARG   2           HD2      ARG   2  -8.019  -7.102   0.904
   21    HD3  ARG   2           HD1      ARG   2  -9.728  -7.156   0.477
   22    HE   ARG   2           HE       ARG   2  -8.980  -6.456  -1.809
   23   HH11  ARG   2          HH11      ARG   2  -6.857  -8.227   0.342
   24   HH12  ARG   2          HH12      ARG   2  -5.866  -8.848  -0.939
   25   HH21  ARG   2          HH21      ARG   2  -7.668  -7.269  -3.499
   26   HH22  ARG   2          HH22      ARG   2  -6.313  -8.286  -3.117
   27    H    ASP   3           HN       ASP   3  -7.477  -1.036  -1.329
   28    HA   ASP   3           HA       ASP   3  -4.556  -1.282  -1.461
   29    HB2  ASP   3           HB2      ASP   3  -4.777  -0.097  -3.647
   30    HB3  ASP   3           HB1      ASP   3  -5.501  -1.695  -3.604
   31    H    GLU   4           HN       GLU   4  -5.680   0.059   0.626
   32    HA   GLU   4           HA       GLU   4  -5.889   2.854   0.226
   33    HB2  GLU   4           HB2      GLU   4  -5.183   1.324   2.736
   34    HB3  GLU   4           HB1      GLU   4  -5.660   3.014   2.674
   35    HG2  GLU   4           HG2      GLU   4  -7.849   2.359   1.805
   36    HG3  GLU   4           HG1      GLU   4  -7.368   0.664   1.890
   37    H    CYS   5           HN       CYS   5  -3.238   0.759   1.316
   38    HA   CYS   5           HA       CYS   5  -1.379   2.809   1.761
   39    HB2  CYS   5           HB2      CYS   5  -1.227  -0.145   1.400
   40    HB3  CYS   5           HB1      CYS   5   0.251   0.799   1.400
   41    H    CYS   6           HN       CYS   6  -2.494   1.382  -1.172
   42    HA   CYS   6           HA       CYS   6  -0.326   1.856  -2.841
   43    HB2  CYS   6           HB2      CYS   6  -3.280   1.782  -3.188
   44    HB3  CYS   6           HB1      CYS   6  -2.272   2.283  -4.538
   45    H    SER   7           HN       SER   7  -2.552   4.122  -1.373
   46    HA   SER   7           HA       SER   7  -1.573   6.314  -3.041
   47    HB2  SER   7           HB2      SER   7  -3.572   6.354  -0.767
   48    HB3  SER   7           HB1      SER   7  -3.234   7.679  -1.880
   49    HG   SER   7           HG       SER   7  -5.097   6.068  -2.244
   50    H    ASN   8           HN       ASN   8  -0.237   4.677  -0.739
   51    HA   ASN   8           HA       ASN   8   0.939   7.004   0.630
   52    HB2  ASN   8           HB2      ASN   8   0.367   4.273   1.795
   53    HB3  ASN   8           HB1      ASN   8   1.206   5.575   2.626
   54   HD21  ASN   8          HD21      ASN   8  -1.843   4.514   1.336
   55   HD22  ASN   8          HD22      ASN   8  -2.836   5.570   2.286
   56    HA   PRO   9           HA       PRO   9   4.208   4.864  -1.766
   57    HB2  PRO   9           HB2      PRO   9   5.600   7.330  -0.820
   58    HB3  PRO   9           HB1      PRO   9   5.607   6.587  -2.423
   59    HG2  PRO   9           HG2      PRO   9   4.173   8.767  -1.971
   60    HG3  PRO   9           HG1      PRO   9   3.510   7.450  -2.960
   61    HD2  PRO   9           HD2      PRO   9   2.916   8.171  -0.118
   62    HD3  PRO   9           HD1      PRO   9   1.821   7.607  -1.390
   63    H    VAL  10           HN       VAL  10   4.136   6.037   1.524
   64    HA   VAL  10           HA       VAL  10   6.750   4.964   2.175
   65    HB   VAL  10           HB       VAL  10   5.568   6.975   3.283
   66   HG11  VAL  10          HG11      VAL  10   4.317   6.502   5.302
   67   HG12  VAL  10          HG12      VAL  10   4.395   4.778   4.952
   68   HG13  VAL  10          HG13      VAL  10   3.499   5.852   3.883
   69   HG21  VAL  10          HG21      VAL  10   7.739   6.136   3.975
   70   HG22  VAL  10          HG22      VAL  10   6.959   4.897   4.958
   71   HG23  VAL  10          HG23      VAL  10   6.782   6.600   5.382
   72    H    CYS  11           HN       CYS  11   3.425   4.038   2.459
   73    HA   CYS  11           HA       CYS  11   3.911   1.757   4.109
   74    HB2  CYS  11           HB2      CYS  11   1.696   2.933   3.933
   75    HB3  CYS  11           HB1      CYS  11   1.523   2.251   2.319
   76    H    ARG  12           HN       ARG  12   3.622   2.318   0.624
   77    HA   ARG  12           HA       ARG  12   3.808  -0.475   0.099
   78    HB2  ARG  12           HB2      ARG  12   3.862   0.282  -2.330
   79    HB3  ARG  12           HB1      ARG  12   2.392   0.543  -1.405
   80    HG2  ARG  12           HG2      ARG  12   3.171   2.826  -0.969
   81    HG3  ARG  12           HG1      ARG  12   4.515   2.541  -2.076
   82    HD2  ARG  12           HD2      ARG  12   2.873   1.977  -3.839
   83    HD3  ARG  12           HD1      ARG  12   1.584   2.388  -2.713
   84    HE   ARG  12           HE       ARG  12   2.431   4.672  -2.741
   85   HH11  ARG  12          HH11      ARG  12   3.483   2.550  -5.312
   86   HH12  ARG  12          HH12      ARG  12   3.722   3.836  -6.450
   87   HH21  ARG  12          HH21      ARG  12   2.727   6.371  -4.252
   88   HH22  ARG  12          HH22      ARG  12   3.313   6.004  -5.841
   89    H    VAL  13           HN       VAL  13   6.064   2.153   0.117
   90    HA   VAL  13           HA       VAL  13   8.092   1.006  -1.408
   91    HB   VAL  13           HB       VAL  13   8.106   3.329  -0.609
   92   HG11  VAL  13          HG11      VAL  13   7.213   2.739   1.643
   93   HG12  VAL  13          HG12      VAL  13   8.546   3.908   1.646
   94   HG13  VAL  13          HG13      VAL  13   8.847   2.224   2.081
   95   HG21  VAL  13          HG21      VAL  13  10.472   3.460   0.026
   96   HG22  VAL  13          HG22      VAL  13  10.192   2.371  -1.333
   97   HG23  VAL  13          HG23      VAL  13  10.481   1.715   0.276
   98    H    ASN  14           HN       ASN  14   7.198   0.553   1.997
   99    HA   ASN  14           HA       ASN  14   9.368  -1.247   2.570
  100    HB2  ASN  14           HB2      ASN  14   6.718  -1.129   4.014
  101    HB3  ASN  14           HB1      ASN  14   8.253  -1.708   4.640
  102   HD21  ASN  14          HD21      ASN  14   6.362   0.265   5.583
  103   HD22  ASN  14          HD22      ASN  14   7.267   1.732   5.807
  104    H    ASN  15           HN       ASN  15   6.038  -1.541   1.520
  105    HA   ASN  15           HA       ASN  15   6.291  -4.453   1.418
  106    HB2  ASN  15           HB2      ASN  15   5.199  -3.462   3.580
  107    HB3  ASN  15           HB1      ASN  15   3.843  -3.119   2.510
  108   HD21  ASN  15          HD21      ASN  15   2.629  -4.812   1.657
  109   HD22  ASN  15          HD22      ASN  15   2.715  -6.418   2.290
  110    HA   HYP  16           HA       HYP  16   4.482  -2.599  -2.378
  111    HB2  HYP  16           HB1      HYP  16   6.228  -2.881  -3.751
  112    HB3  HYP  16           HB2      HYP  16   5.992  -4.628  -3.768
  113    HG   HYP  16           HG       HYP  16   8.057  -4.586  -2.724
  114   HD22  HYP  16          HD22      HYP  16   6.738  -5.491  -1.007
  115   HD23  HYP  16          HD23      HYP  16   7.407  -4.105  -0.163
  116    HD1  HYP  16           HD1      HYP  16   7.682  -2.479  -1.045
  117    H    HIS  17           HN       HIS  17   3.903  -5.455  -0.838
  118    HA   HIS  17           HA       HIS  17   1.817  -6.115  -2.817
  119    HB2  HIS  17           HB2      HIS  17   3.364  -7.962  -0.998
  120    HB3  HIS  17           HB1      HIS  17   1.830  -8.428  -1.718
  121    HD1  HIS  17           HD1      HIS  17   1.982  -9.536  -3.918
  122    HD2  HIS  17           HD2      HIS  17   5.368  -7.271  -3.092
  123    HE1  HIS  17           HE1      HIS  17   3.564  -9.966  -5.822
  124    HE2  HIS  17           HE2      HIS  17   5.538  -8.470  -5.377
  125    H    VAL  18           HN       VAL  18   1.632  -4.118  -0.868
  126    HA   VAL  18           HA       VAL  18   0.284  -5.185   1.455
  127    HB   VAL  18           HB       VAL  18   1.782  -3.258   1.683
  128   HG11  VAL  18          HG11      VAL  18   1.393  -2.189  -0.462
  129   HG12  VAL  18          HG12      VAL  18   1.123  -1.052   0.857
  130   HG13  VAL  18          HG13      VAL  18  -0.250  -1.776   0.024
  131   HG21  VAL  18          HG21      VAL  18   0.312  -1.842   3.044
  132   HG22  VAL  18          HG22      VAL  18   0.012  -3.558   3.320
  133   HG23  VAL  18          HG23      VAL  18  -1.096  -2.620   2.320
  134    H    CYS  19           HN       CYS  19  -0.607  -3.735  -1.598
  135    HA   CYS  19           HA       CYS  19  -3.338  -3.268  -0.732
  136    HB2  CYS  19           HB2      CYS  19  -2.190  -3.036  -3.521
  137    HB3  CYS  19           HB1      CYS  19  -3.715  -2.383  -2.949
  Start of MODEL    6
    1    H1   ILE   1           HT1      ILE   1  -9.362  -4.921   3.524
    2    H2   ILE   1           HT2      ILE   1  -8.855  -4.807   5.129
    3    H3   ILE   1           HT3      ILE   1  -8.639  -6.250   4.278
    4    HA   ILE   1           HA       ILE   1  -6.572  -5.021   4.494
    5    HB   ILE   1           HB       ILE   1  -6.835  -6.471   2.558
    6   HG12  ILE   1          HG12      ILE   1  -5.579  -3.815   1.826
    7   HG13  ILE   1          HG11      ILE   1  -4.791  -5.130   2.690
    8   HG21  ILE   1          HG21      ILE   1  -7.660  -5.628   0.411
    9   HG22  ILE   1          HG22      ILE   1  -8.059  -4.088   1.171
   10   HG23  ILE   1          HG23      ILE   1  -8.904  -5.556   1.659
   11   HD11  ILE   1          HD11      ILE   1  -5.788  -5.241  -0.146
   12   HD12  ILE   1          HD12      ILE   1  -4.962  -6.538   0.717
   13   HD13  ILE   1          HD13      ILE   1  -4.112  -5.036   0.357
   14    H    ARG   2           HN       ARG   2  -5.499  -3.094   4.450
   15    HA   ARG   2           HA       ARG   2  -7.060  -0.720   4.049
   16    HB2  ARG   2           HB2      ARG   2  -4.139  -1.030   4.753
   17    HB3  ARG   2           HB1      ARG   2  -5.037   0.481   4.776
   18    HG2  ARG   2           HG2      ARG   2  -6.537  -0.514   6.494
   19    HG3  ARG   2           HG1      ARG   2  -5.468  -1.917   6.540
   20    HD2  ARG   2           HD2      ARG   2  -4.918  -0.384   8.337
   21    HD3  ARG   2           HD1      ARG   2  -3.599  -0.456   7.168
   22    HE   ARG   2           HE       ARG   2  -5.482   1.682   6.715
   23   HH11  ARG   2          HH11      ARG   2  -2.538   0.719   8.339
   24   HH12  ARG   2          HH12      ARG   2  -1.950   2.340   8.505
   25   HH21  ARG   2          HH21      ARG   2  -4.702   3.824   6.904
   26   HH22  ARG   2          HH22      ARG   2  -3.175   4.107   7.683
   27    H    ASP   3           HN       ASP   3  -7.533  -0.695   1.880
   28    HA   ASP   3           HA       ASP   3  -5.554  -1.012  -0.148
   29    HB2  ASP   3           HB2      ASP   3  -7.963  -1.571  -0.458
   30    HB3  ASP   3           HB1      ASP   3  -8.336   0.145  -0.366
   31    H    GLU   4           HN       GLU   4  -6.447   1.424   1.847
   32    HA   GLU   4           HA       GLU   4  -6.064   3.732   0.272
   33    HB2  GLU   4           HB2      GLU   4  -5.816   4.896   2.449
   34    HB3  GLU   4           HB1      GLU   4  -7.234   3.858   2.387
   35    HG2  GLU   4           HG2      GLU   4  -6.008   2.131   3.622
   36    HG3  GLU   4           HG1      GLU   4  -4.610   3.200   3.710
   37    H    CYS   5           HN       CYS   5  -3.868   1.561   1.863
   38    HA   CYS   5           HA       CYS   5  -1.716   3.343   2.221
   39    HB2  CYS   5           HB2      CYS   5  -0.767   1.600   3.255
   40    HB3  CYS   5           HB1      CYS   5  -2.294   0.775   2.994
   41    H    CYS   6           HN       CYS   6  -2.922   1.778  -0.568
   42    HA   CYS   6           HA       CYS   6  -0.625   1.523  -2.133
   43    HB2  CYS   6           HB2      CYS   6  -3.454   2.219  -2.919
   44    HB3  CYS   6           HB1      CYS   6  -2.207   1.667  -4.028
   45    H    SER   7           HN       SER   7  -2.643   4.320  -1.411
   46    HA   SER   7           HA       SER   7  -1.304   5.976  -3.373
   47    HB2  SER   7           HB2      SER   7  -3.736   6.243  -2.775
   48    HB3  SER   7           HB1      SER   7  -3.228   6.824  -1.190
   49    HG   SER   7           HG       SER   7  -2.600   7.991  -3.708
   50    H    ASN   8           HN       ASN   8  -0.574   4.811  -0.409
   51    HA   ASN   8           HA       ASN   8   0.895   7.167   0.530
   52    HB2  ASN   8           HB2      ASN   8   0.221   4.527   1.810
   53    HB3  ASN   8           HB1      ASN   8   1.279   5.713   2.562
   54   HD21  ASN   8          HD21      ASN   8  -2.002   5.082   1.492
   55   HD22  ASN   8          HD22      ASN   8  -2.747   6.272   2.503
   56    HA   PRO   9           HA       PRO   9   4.255   5.105  -1.614
   57    HB2  PRO   9           HB2      PRO   9   6.150   7.005  -0.989
   58    HB3  PRO   9           HB1      PRO   9   5.039   7.112  -2.357
   59    HG2  PRO   9           HG2      PRO   9   4.827   8.370   0.343
   60    HG3  PRO   9           HG1      PRO   9   4.488   9.072  -1.252
   61    HD2  PRO   9           HD2      PRO   9   2.520   8.213   0.334
   62    HD3  PRO   9           HD1      PRO   9   2.436   8.003  -1.420
   63    H    VAL  10           HN       VAL  10   4.003   5.960   1.716
   64    HA   VAL  10           HA       VAL  10   6.529   4.843   2.520
   65    HB   VAL  10           HB       VAL  10   5.102   6.592   3.757
   66   HG11  VAL  10          HG11      VAL  10   3.795   4.110   4.818
   67   HG12  VAL  10          HG12      VAL  10   3.024   5.382   3.875
   68   HG13  VAL  10          HG13      VAL  10   3.622   5.728   5.495
   69   HG21  VAL  10          HG21      VAL  10   6.024   5.916   5.927
   70   HG22  VAL  10          HG22      VAL  10   7.193   5.729   4.621
   71   HG23  VAL  10          HG23      VAL  10   6.359   4.315   5.269
   72    H    CYS  11           HN       CYS  11   3.256   3.727   2.179
   73    HA   CYS  11           HA       CYS  11   3.681   1.228   3.488
   74    HB2  CYS  11           HB2      CYS  11   1.410   2.092   3.235
   75    HB3  CYS  11           HB1      CYS  11   1.554   2.006   1.482
   76    H    ARG  12           HN       ARG  12   3.670   2.248   0.079
   77    HA   ARG  12           HA       ARG  12   4.129  -0.412  -0.761
   78    HB2  ARG  12           HB2      ARG  12   4.461   0.743  -3.059
   79    HB3  ARG  12           HB1      ARG  12   2.864   0.641  -2.334
   80    HG2  ARG  12           HG2      ARG  12   3.212   2.893  -1.416
   81    HG3  ARG  12           HG1      ARG  12   4.714   2.999  -2.333
   82    HD2  ARG  12           HD2      ARG  12   3.283   2.449  -4.378
   83    HD3  ARG  12           HD1      ARG  12   1.897   2.792  -3.340
   84    HE   ARG  12           HE       ARG  12   3.771   4.919  -3.268
   85   HH11  ARG  12          HH11      ARG  12   1.285   3.506  -5.268
   86   HH12  ARG  12          HH12      ARG  12   0.935   4.984  -6.105
   87   HH21  ARG  12          HH21      ARG  12   3.312   6.873  -4.358
   88   HH22  ARG  12          HH22      ARG  12   2.073   6.903  -5.570
   89    H    VAL  13           HN       VAL  13   6.215   2.085   0.135
   90    HA   VAL  13           HA       VAL  13   8.486   1.173  -1.311
   91    HB   VAL  13           HB       VAL  13   8.274   3.466  -0.447
   92   HG11  VAL  13          HG11      VAL  13   8.359   3.967   1.866
   93   HG12  VAL  13          HG12      VAL  13   8.703   2.286   2.278
   94   HG13  VAL  13          HG13      VAL  13   7.114   2.724   1.639
   95   HG21  VAL  13          HG21      VAL  13  10.517   3.673   0.531
   96   HG22  VAL  13          HG22      VAL  13  10.493   2.640  -0.898
   97   HG23  VAL  13          HG23      VAL  13  10.580   1.921   0.708
   98    H    ASN  14           HN       ASN  14   7.018   0.374   1.809
   99    HA   ASN  14           HA       ASN  14   9.358  -1.287   2.436
  100    HB2  ASN  14           HB2      ASN  14   8.877  -1.111   4.687
  101    HB3  ASN  14           HB1      ASN  14   8.333   0.449   4.089
  102   HD21  ASN  14          HD21      ASN  14   6.115   0.893   4.026
  103   HD22  ASN  14          HD22      ASN  14   4.969  -0.076   4.891
  104    H    ASN  15           HN       ASN  15   5.853  -1.502   2.015
  105    HA   ASN  15           HA       ASN  15   5.663  -4.213   2.839
  106    HB2  ASN  15           HB2      ASN  15   3.483  -3.717   2.799
  107    HB3  ASN  15           HB1      ASN  15   3.874  -2.131   2.146
  108   HD21  ASN  15          HD21      ASN  15   3.444  -1.712   0.032
  109   HD22  ASN  15          HD22      ASN  15   2.661  -2.813  -1.039
  110    HA   HYP  16           HA       HYP  16   7.088  -6.405  -0.629
  111    HB2  HYP  16           HB1      HYP  16   7.026  -8.307   0.539
  112    HB3  HYP  16           HB2      HYP  16   5.447  -8.600  -0.185
  113    HG   HYP  16           HG       HYP  16   4.406  -8.245   1.789
  114   HD22  HYP  16          HD22      HYP  16   4.351  -6.041   2.367
  115   HD23  HYP  16          HD23      HYP  16   6.033  -6.105   2.879
  116    HD1  HYP  16           HD1      HYP  16   6.264  -7.733   3.517
  117    H    HIS  17           HN       HIS  17   3.811  -7.641  -0.466
  118    HA   HIS  17           HA       HIS  17   3.059  -6.233  -2.898
  119    HB2  HIS  17           HB2      HIS  17   3.348  -9.231  -2.741
  120    HB3  HIS  17           HB1      HIS  17   2.267  -8.464  -3.898
  121    HD1  HIS  17           HD1      HIS  17   3.417  -6.959  -5.748
  122    HD2  HIS  17           HD2      HIS  17   6.013  -9.235  -3.436
  123    HE1  HIS  17           HE1      HIS  17   5.605  -6.955  -6.985
  124    HE2  HIS  17           HE2      HIS  17   7.095  -8.497  -5.666
  125    H    VAL  18           HN       VAL  18   2.026  -5.764  -0.440
  126    HA   VAL  18           HA       VAL  18  -0.384  -7.301  -0.038
  127    HB   VAL  18           HB       VAL  18   0.413  -4.615   1.114
  128   HG11  VAL  18          HG11      VAL  18  -1.336  -5.028   2.785
  129   HG12  VAL  18          HG12      VAL  18  -1.819  -6.482   1.912
  130   HG13  VAL  18          HG13      VAL  18  -2.004  -4.898   1.158
  131   HG21  VAL  18          HG21      VAL  18   1.925  -6.380   1.796
  132   HG22  VAL  18          HG22      VAL  18   0.566  -7.395   2.268
  133   HG23  VAL  18          HG23      VAL  18   0.903  -5.909   3.151
  134    H    CYS  19           HN       CYS  19   0.460  -4.189  -1.467
  135    HA   CYS  19           HA       CYS  19  -2.268  -3.816  -2.405
  136    HB2  CYS  19           HB2      CYS  19  -1.102  -1.828  -1.598
  137    HB3  CYS  19           HB1      CYS  19   0.203  -2.098  -2.752
  Start of MODEL    7
    1    H1   ILE   1           HT1      ILE   1 -11.985  -0.968   6.965
    2    H2   ILE   1           HT2      ILE   1 -10.400  -1.237   7.491
    3    H3   ILE   1           HT3      ILE   1 -11.117  -2.297   6.386
    4    HA   ILE   1           HA       ILE   1 -11.212  -0.597   4.725
    5    HB   ILE   1           HB       ILE   1 -10.007   1.544   5.111
    6   HG12  ILE   1          HG12      ILE   1 -10.133   0.734   8.026
    7   HG13  ILE   1          HG11      ILE   1  -8.663   0.807   7.061
    8   HG21  ILE   1          HG21      ILE   1 -11.827   2.605   6.385
    9   HG22  ILE   1          HG22      ILE   1 -12.389   1.009   6.877
   10   HG23  ILE   1          HG23      ILE   1 -12.424   1.469   5.177
   11   HD11  ILE   1          HD11      ILE   1 -10.446   3.135   7.731
   12   HD12  ILE   1          HD12      ILE   1  -8.966   3.207   6.775
   13   HD13  ILE   1          HD13      ILE   1  -8.895   2.762   8.480
   14    H    ARG   2           HN       ARG   2  -9.673  -0.840   3.206
   15    HA   ARG   2           HA       ARG   2  -6.897  -1.059   3.864
   16    HB2  ARG   2           HB2      ARG   2  -6.557  -3.303   3.004
   17    HB3  ARG   2           HB1      ARG   2  -7.702  -3.350   4.336
   18    HG2  ARG   2           HG2      ARG   2  -9.549  -3.554   2.789
   19    HG3  ARG   2           HG1      ARG   2  -8.447  -3.405   1.419
   20    HD2  ARG   2           HD2      ARG   2  -7.318  -5.460   2.100
   21    HD3  ARG   2           HD1      ARG   2  -8.407  -5.607   3.479
   22    HE   ARG   2           HE       ARG   2 -10.076  -5.484   1.337
   23   HH11  ARG   2          HH11      ARG   2  -7.356  -7.517   2.188
   24   HH12  ARG   2          HH12      ARG   2  -7.956  -8.898   1.323
   25   HH21  ARG   2          HH21      ARG   2 -10.865  -7.289   0.194
   26   HH22  ARG   2          HH22      ARG   2  -9.952  -8.763   0.185
   27    H    ASP   3           HN       ASP   3  -5.836  -2.015   1.629
   28    HA   ASP   3           HA       ASP   3  -5.194  -1.409  -0.450
   29    HB2  ASP   3           HB2      ASP   3  -7.432  -2.551  -0.917
   30    HB3  ASP   3           HB1      ASP   3  -8.106  -0.935  -1.069
   31    H    GLU   4           HN       GLU   4  -5.319   0.563   1.586
   32    HA   GLU   4           HA       GLU   4  -5.962   3.003   0.077
   33    HB2  GLU   4           HB2      GLU   4  -6.007   4.148   2.235
   34    HB3  GLU   4           HB1      GLU   4  -7.120   2.789   2.228
   35    HG2  GLU   4           HG2      GLU   4  -5.598   1.461   3.521
   36    HG3  GLU   4           HG1      GLU   4  -4.357   2.710   3.416
   37    H    CYS   5           HN       CYS   5  -3.444   1.127   1.449
   38    HA   CYS   5           HA       CYS   5  -1.560   3.202   1.817
   39    HB2  CYS   5           HB2      CYS   5  -1.571   0.262   1.970
   40    HB3  CYS   5           HB1      CYS   5  -0.022   1.000   1.617
   41    H    CYS   6           HN       CYS   6  -2.794   1.904  -0.993
   42    HA   CYS   6           HA       CYS   6  -0.564   1.896  -2.697
   43    HB2  CYS   6           HB2      CYS   6  -3.448   2.593  -3.256
   44    HB3  CYS   6           HB1      CYS   6  -2.235   2.257  -4.480
   45    H    SER   7           HN       SER   7  -2.659   4.485  -1.531
   46    HA   SER   7           HA       SER   7  -1.264   6.462  -3.150
   47    HB2  SER   7           HB2      SER   7  -2.859   8.030  -1.837
   48    HB3  SER   7           HB1      SER   7  -3.568   6.926  -3.016
   49    HG   SER   7           HG       SER   7  -4.143   7.115  -0.452
   50    H    ASN   8           HN       ASN   8  -0.454   4.794  -0.603
   51    HA   ASN   8           HA       ASN   8   0.807   7.021   0.864
   52    HB2  ASN   8           HB2      ASN   8   0.139   4.222   1.786
   53    HB3  ASN   8           HB1      ASN   8   1.030   5.391   2.747
   54   HD21  ASN   8          HD21      ASN   8  -1.838   5.913   0.742
   55   HD22  ASN   8          HD22      ASN   8  -2.868   6.409   2.042
   56    HA   PRO   9           HA       PRO   9   4.053   5.039  -1.661
   57    HB2  PRO   9           HB2      PRO   9   5.567   7.337  -0.515
   58    HB3  PRO   9           HB1      PRO   9   5.481   6.778  -2.189
   59    HG2  PRO   9           HG2      PRO   9   4.172   8.958  -1.425
   60    HG3  PRO   9           HG1      PRO   9   3.426   7.807  -2.549
   61    HD2  PRO   9           HD2      PRO   9   2.926   8.196   0.373
   62    HD3  PRO   9           HD1      PRO   9   1.781   7.840  -0.932
   63    H    VAL  10           HN       VAL  10   4.145   6.025   1.687
   64    HA   VAL  10           HA       VAL  10   6.622   4.836   2.376
   65    HB   VAL  10           HB       VAL  10   4.180   5.410   4.070
   66   HG11  VAL  10          HG11      VAL  10   5.455   3.628   5.116
   67   HG12  VAL  10          HG12      VAL  10   5.657   5.131   6.018
   68   HG13  VAL  10          HG13      VAL  10   6.939   4.565   4.949
   69   HG21  VAL  10          HG21      VAL  10   5.273   7.382   3.131
   70   HG22  VAL  10          HG22      VAL  10   6.814   6.854   3.800
   71   HG23  VAL  10          HG23      VAL  10   5.495   7.304   4.877
   72    H    CYS  11           HN       CYS  11   3.284   3.629   2.502
   73    HA   CYS  11           HA       CYS  11   3.800   1.129   3.622
   74    HB2  CYS  11           HB2      CYS  11   1.669   1.935   1.648
   75    HB3  CYS  11           HB1      CYS  11   1.656   0.479   2.618
   76    H    ARG  12           HN       ARG  12   3.361   2.038   0.215
   77    HA   ARG  12           HA       ARG  12   3.676  -0.570  -0.729
   78    HB2  ARG  12           HB2      ARG  12   3.933   0.583  -2.995
   79    HB3  ARG  12           HB1      ARG  12   2.405   0.709  -2.139
   80    HG2  ARG  12           HG2      ARG  12   3.180   2.874  -1.262
   81    HG3  ARG  12           HG1      ARG  12   4.577   2.761  -2.330
   82    HD2  ARG  12           HD2      ARG  12   1.667   2.969  -3.061
   83    HD3  ARG  12           HD1      ARG  12   2.972   4.078  -3.476
   84    HE   ARG  12           HE       ARG  12   3.725   1.748  -4.643
   85   HH11  ARG  12          HH11      ARG  12   0.811   3.693  -4.778
   86   HH12  ARG  12          HH12      ARG  12   0.404   3.192  -6.389
   87   HH21  ARG  12          HH21      ARG  12   3.180   1.084  -6.769
   88   HH22  ARG  12          HH22      ARG  12   1.747   1.710  -7.518
   89    H    VAL  13           HN       VAL  13   5.991   1.691   0.159
   90    HA   VAL  13           HA       VAL  13   8.054   0.519  -1.482
   91    HB   VAL  13           HB       VAL  13   7.980   2.812   0.448
   92   HG11  VAL  13          HG11      VAL  13  10.276   3.290  -0.136
   93   HG12  VAL  13          HG12      VAL  13  10.353   1.832  -1.127
   94   HG13  VAL  13          HG13      VAL  13  10.160   1.703   0.622
   95   HG21  VAL  13          HG21      VAL  13   6.937   2.898  -1.834
   96   HG22  VAL  13          HG22      VAL  13   8.568   2.722  -2.497
   97   HG23  VAL  13          HG23      VAL  13   8.166   4.128  -1.510
   98    H    ASN  14           HN       ASN  14   7.330   0.794   2.025
   99    HA   ASN  14           HA       ASN  14   9.617  -0.811   2.690
  100    HB2  ASN  14           HB2      ASN  14   9.044  -0.565   4.930
  101    HB3  ASN  14           HB1      ASN  14   8.448   0.926   4.214
  102   HD21  ASN  14          HD21      ASN  14   6.213   1.240   4.047
  103   HD22  ASN  14          HD22      ASN  14   5.090   0.270   4.936
  104    H    ASN  15           HN       ASN  15   6.352  -1.419   1.848
  105    HA   ASN  15           HA       ASN  15   6.772  -4.271   2.284
  106    HB2  ASN  15           HB2      ASN  15   5.349  -3.466   4.121
  107    HB3  ASN  15           HB1      ASN  15   4.254  -2.753   2.941
  108   HD21  ASN  15          HD21      ASN  15   2.491  -3.974   3.603
  109   HD22  ASN  15          HD22      ASN  15   2.372  -5.672   3.296
  110    HA   HYP  16           HA       HYP  16   5.449  -3.438  -2.013
  111    HB2  HYP  16           HB1      HYP  16   7.409  -3.856  -3.013
  112    HB3  HYP  16           HB2      HYP  16   7.227  -5.583  -2.703
  113    HG   HYP  16           HG       HYP  16   9.099  -5.243  -1.396
  114   HD22  HYP  16          HD22      HYP  16   7.579  -5.768   0.310
  115   HD23  HYP  16          HD23      HYP  16   8.089  -4.185   0.865
  116    HD1  HYP  16           HD1      HYP  16   8.495  -2.821  -0.315
  117    H    HIS  17           HN       HIS  17   3.974  -5.123  -0.145
  118    HA   HIS  17           HA       HIS  17   2.789  -6.867  -2.157
  119    HB2  HIS  17           HB2      HIS  17   3.774  -7.799   0.530
  120    HB3  HIS  17           HB1      HIS  17   2.434  -8.609  -0.271
  121    HD1  HIS  17           HD1      HIS  17   5.761  -9.247   0.239
  122    HD2  HIS  17           HD2      HIS  17   3.495  -9.010  -3.238
  123    HE1  HIS  17           HE1      HIS  17   7.025 -10.571  -1.485
  124    HE2  HIS  17           HE2      HIS  17   5.611 -10.456  -3.566
  125    H    VAL  18           HN       VAL  18   2.270  -4.298  -0.587
  126    HA   VAL  18           HA       VAL  18  -0.272  -5.039   0.681
  127    HB   VAL  18           HB       VAL  18   1.291  -3.591   1.966
  128   HG11  VAL  18          HG11      VAL  18   1.542  -1.234   1.325
  129   HG12  VAL  18          HG12      VAL  18   0.728  -1.576  -0.202
  130   HG13  VAL  18          HG13      VAL  18   2.279  -2.330   0.161
  131   HG21  VAL  18          HG21      VAL  18  -1.317  -2.266   1.230
  132   HG22  VAL  18          HG22      VAL  18  -0.369  -1.947   2.682
  133   HG23  VAL  18          HG23      VAL  18  -1.100  -3.532   2.439
  134    H    CYS  19           HN       CYS  19   1.020  -3.783  -2.177
  135    HA   CYS  19           HA       CYS  19  -1.632  -3.223  -3.201
  136    HB2  CYS  19           HB2      CYS  19  -0.725  -1.055  -2.289
  137    HB3  CYS  19           HB1      CYS  19   0.580  -1.177  -3.464
  Start of MODEL    8
    1    H1   ILE   1           HT1      ILE   1  -6.976  -7.445  -5.485
    2    H2   ILE   1           HT2      ILE   1  -7.503  -5.856  -5.726
    3    H3   ILE   1           HT3      ILE   1  -8.061  -6.738  -4.400
    4    HA   ILE   1           HA       ILE   1  -5.886  -6.792  -3.433
    5    HB   ILE   1           HB       ILE   1  -4.077  -5.416  -4.428
    6   HG12  ILE   1          HG12      ILE   1  -5.868  -5.355  -6.868
    7   HG13  ILE   1          HG11      ILE   1  -5.485  -3.970  -5.851
    8   HG21  ILE   1          HG21      ILE   1  -4.088  -7.827  -4.714
    9   HG22  ILE   1          HG22      ILE   1  -3.431  -7.038  -6.149
   10   HG23  ILE   1          HG23      ILE   1  -5.078  -7.667  -6.163
   11   HD11  ILE   1          HD11      ILE   1  -3.516  -5.553  -7.485
   12   HD12  ILE   1          HD12      ILE   1  -3.139  -4.157  -6.476
   13   HD13  ILE   1          HD13      ILE   1  -4.171  -3.967  -7.892
   14    H    ARG   2           HN       ARG   2  -5.462  -5.244  -1.875
   15    HA   ARG   2           HA       ARG   2  -7.371  -3.108  -1.748
   16    HB2  ARG   2           HB2      ARG   2  -5.153  -3.835   0.168
   17    HB3  ARG   2           HB1      ARG   2  -6.425  -2.664   0.482
   18    HG2  ARG   2           HG2      ARG   2  -8.089  -4.492   0.237
   19    HG3  ARG   2           HG1      ARG   2  -6.746  -5.631   0.105
   20    HD2  ARG   2           HD2      ARG   2  -7.323  -3.821   2.447
   21    HD3  ARG   2           HD1      ARG   2  -7.621  -5.556   2.381
   22    HE   ARG   2           HE       ARG   2  -5.009  -5.476   1.887
   23   HH11  ARG   2          HH11      ARG   2  -6.908  -3.811   4.308
   24   HH12  ARG   2          HH12      ARG   2  -5.610  -3.739   5.457
   25   HH21  ARG   2          HH21      ARG   2  -3.297  -5.376   3.402
   26   HH22  ARG   2          HH22      ARG   2  -3.552  -4.611   4.936
   27    H    ASP   3           HN       ASP   3  -7.058  -1.043  -2.248
   28    HA   ASP   3           HA       ASP   3  -4.457  -0.321  -3.361
   29    HB2  ASP   3           HB2      ASP   3  -6.633  -0.022  -4.622
   30    HB3  ASP   3           HB1      ASP   3  -7.042   1.242  -3.470
   31    H    GLU   4           HN       GLU   4  -5.307  -0.392  -0.432
   32    HA   GLU   4           HA       GLU   4  -5.519   2.228   0.553
   33    HB2  GLU   4           HB2      GLU   4  -4.523  -0.279   1.905
   34    HB3  GLU   4           HB1      GLU   4  -4.872   1.226   2.743
   35    HG2  GLU   4           HG2      GLU   4  -6.842  -0.453   1.212
   36    HG3  GLU   4           HG1      GLU   4  -6.709  -0.334   2.966
   37    H    CYS   5           HN       CYS   5  -2.644   0.083   0.747
   38    HA   CYS   5           HA       CYS   5  -0.996   2.225   1.607
   39    HB2  CYS   5           HB2      CYS   5  -0.536  -0.631   0.858
   40    HB3  CYS   5           HB1      CYS   5   0.829   0.449   1.079
   41    H    CYS   6           HN       CYS   6  -2.156   1.407  -1.402
   42    HA   CYS   6           HA       CYS   6   0.054   2.104  -3.025
   43    HB2  CYS   6           HB2      CYS   6  -2.915   2.171  -3.547
   44    HB3  CYS   6           HB1      CYS   6  -1.666   2.272  -4.785
   45    H    SER   7           HN       SER   7  -2.490   3.916  -1.423
   46    HA   SER   7           HA       SER   7  -1.764   6.400  -2.736
   47    HB2  SER   7           HB2      SER   7  -3.587   5.967  -0.360
   48    HB3  SER   7           HB1      SER   7  -3.522   7.388  -1.402
   49    HG   SER   7           HG       SER   7  -3.909   5.374  -3.014
   50    H    ASN   8           HN       ASN   8  -0.282   4.568  -0.596
   51    HA   ASN   8           HA       ASN   8   0.788   6.805   0.989
   52    HB2  ASN   8           HB2      ASN   8   0.360   3.933   1.811
   53    HB3  ASN   8           HB1      ASN   8   1.215   5.126   2.776
   54   HD21  ASN   8          HD21      ASN   8  -1.857   4.217   1.435
   55   HD22  ASN   8          HD22      ASN   8  -2.832   5.120   2.549
   56    HA   PRO   9           HA       PRO   9   4.067   5.148  -1.734
   57    HB2  PRO   9           HB2      PRO   9   5.295   7.681  -0.756
   58    HB3  PRO   9           HB1      PRO   9   5.216   7.038  -2.400
   59    HG2  PRO   9           HG2      PRO   9   3.643   9.039  -1.683
   60    HG3  PRO   9           HG1      PRO   9   3.004   7.721  -2.685
   61    HD2  PRO   9           HD2      PRO   9   2.658   8.207   0.246
   62    HD3  PRO   9           HD1      PRO   9   1.475   7.658  -0.953
   63    H    VAL  10           HN       VAL  10   4.059   6.047   1.611
   64    HA   VAL  10           HA       VAL  10   6.771   5.076   2.062
   65    HB   VAL  10           HB       VAL  10   4.675   5.914   4.084
   66   HG11  VAL  10          HG11      VAL  10   6.550   6.087   5.647
   67   HG12  VAL  10          HG12      VAL  10   7.638   5.462   4.408
   68   HG13  VAL  10          HG13      VAL  10   6.353   4.439   5.052
   69   HG21  VAL  10          HG21      VAL  10   5.304   7.749   2.601
   70   HG22  VAL  10          HG22      VAL  10   7.004   7.457   2.954
   71   HG23  VAL  10          HG23      VAL  10   5.922   8.008   4.230
   72    H    CYS  11           HN       CYS  11   3.465   3.952   2.400
   73    HA   CYS  11           HA       CYS  11   4.222   1.575   3.807
   74    HB2  CYS  11           HB2      CYS  11   1.907   2.549   3.922
   75    HB3  CYS  11           HB1      CYS  11   1.667   2.037   2.253
   76    H    ARG  12           HN       ARG  12   3.586   2.448   0.426
   77    HA   ARG  12           HA       ARG  12   3.618  -0.239  -0.405
   78    HB2  ARG  12           HB2      ARG  12   3.576   0.649  -2.719
   79    HB3  ARG  12           HB1      ARG  12   2.268   1.196  -1.680
   80    HG2  ARG  12           HG2      ARG  12   3.581   3.222  -1.246
   81    HG3  ARG  12           HG1      ARG  12   4.726   2.705  -2.482
   82    HD2  ARG  12           HD2      ARG  12   1.810   3.378  -2.825
   83    HD3  ARG  12           HD1      ARG  12   3.195   4.212  -3.526
   84    HE   ARG  12           HE       ARG  12   3.248   1.551  -4.390
   85   HH11  ARG  12          HH11      ARG  12   1.302   4.437  -4.818
   86   HH12  ARG  12          HH12      ARG  12   0.722   3.963  -6.382
   87   HH21  ARG  12          HH21      ARG  12   2.479   0.930  -6.444
   88   HH22  ARG  12          HH22      ARG  12   1.396   1.974  -7.309
   89    H    VAL  13           HN       VAL  13   6.119   1.955   0.101
   90    HA   VAL  13           HA       VAL  13   7.999   0.574  -1.566
   91    HB   VAL  13           HB       VAL  13   9.657   1.981  -0.282
   92   HG11  VAL  13          HG11      VAL  13   9.034   4.044  -1.429
   93   HG12  VAL  13          HG12      VAL  13   7.413   3.404  -1.689
   94   HG13  VAL  13          HG13      VAL  13   8.797   2.640  -2.467
   95   HG21  VAL  13          HG21      VAL  13   7.136   3.152   0.841
   96   HG22  VAL  13          HG22      VAL  13   8.756   3.836   1.025
   97   HG23  VAL  13          HG23      VAL  13   8.368   2.268   1.738
   98    H    ASN  14           HN       ASN  14   6.975   0.460   1.811
   99    HA   ASN  14           HA       ASN  14   9.254  -1.216   2.490
  100    HB2  ASN  14           HB2      ASN  14   8.835  -0.781   4.697
  101    HB3  ASN  14           HB1      ASN  14   8.077   0.635   3.982
  102   HD21  ASN  14          HD21      ASN  14   5.835   0.789   3.972
  103   HD22  ASN  14          HD22      ASN  14   4.841  -0.214   4.970
  104    H    ASN  15           HN       ASN  15   5.803  -1.558   1.931
  105    HA   ASN  15           HA       ASN  15   5.492  -4.096   3.076
  106    HB2  ASN  15           HB2      ASN  15   3.369  -4.126   1.865
  107    HB3  ASN  15           HB1      ASN  15   3.629  -2.575   2.631
  108   HD21  ASN  15          HD21      ASN  15   5.198  -3.442  -0.417
  109   HD22  ASN  15          HD22      ASN  15   4.271  -2.348  -1.386
  110    HA   HYP  16           HA       HYP  16   7.180  -6.891   0.188
  111    HB2  HYP  16           HB1      HYP  16   6.572  -8.707   1.334
  112    HB3  HYP  16           HB2      HYP  16   5.091  -8.757   0.383
  113    HG   HYP  16           HG       HYP  16   3.887  -8.206   2.206
  114   HD22  HYP  16          HD22      HYP  16   3.941  -5.947   2.448
  115   HD23  HYP  16          HD23      HYP  16   5.445  -6.079   3.343
  116    HD1  HYP  16           HD1      HYP  16   5.642  -7.597   4.060
  117    H    HIS  17           HN       HIS  17   3.775  -7.572  -0.304
  118    HA   HIS  17           HA       HIS  17   3.714  -6.130  -2.830
  119    HB2  HIS  17           HB2      HIS  17   3.364  -9.123  -2.612
  120    HB3  HIS  17           HB1      HIS  17   2.661  -8.201  -3.932
  121    HD1  HIS  17           HD1      HIS  17   4.249  -7.354  -5.760
  122    HD2  HIS  17           HD2      HIS  17   6.165  -9.412  -2.707
  123    HE1  HIS  17           HE1      HIS  17   6.571  -7.802  -6.605
  124    HE2  HIS  17           HE2      HIS  17   7.758  -8.900  -4.674
  125    H    VAL  18           HN       VAL  18   2.422  -5.390  -0.567
  126    HA   VAL  18           HA       VAL  18  -0.245  -6.534  -0.588
  127    HB   VAL  18           HB       VAL  18  -0.650  -5.428   1.419
  128   HG11  VAL  18          HG11      VAL  18   0.869  -7.221   1.764
  129   HG12  VAL  18          HG12      VAL  18   1.316  -5.900   2.844
  130   HG13  VAL  18          HG13      VAL  18   2.243  -6.191   1.372
  131   HG21  VAL  18          HG21      VAL  18   0.767  -3.638   2.346
  132   HG22  VAL  18          HG22      VAL  18  -0.045  -3.188   0.848
  133   HG23  VAL  18          HG23      VAL  18   1.664  -3.616   0.829
  134    H    CYS  19           HN       CYS  19   1.276  -4.363  -2.412
  135    HA   CYS  19           HA       CYS  19  -1.231  -3.006  -3.067
  136    HB2  CYS  19           HB2      CYS  19  -0.023  -1.299  -1.922
  137    HB3  CYS  19           HB1      CYS  19   1.483  -1.724  -2.722
  Start of MODEL    9
    1    H1   ILE   1           HT1      ILE   1 -11.973  -4.252  -1.822
    2    H2   ILE   1           HT2      ILE   1 -11.411  -5.582  -2.693
    3    H3   ILE   1           HT3      ILE   1 -12.533  -4.532  -3.392
    4    HA   ILE   1           HA       ILE   1 -10.351  -4.146  -4.286
    5    HB   ILE   1           HB       ILE   1 -10.123  -1.728  -3.750
    6   HG12  ILE   1          HG12      ILE   1 -12.410  -2.232  -1.835
    7   HG13  ILE   1          HG11      ILE   1 -10.751  -1.919  -1.346
    8   HG21  ILE   1          HG21      ILE   1 -12.932  -2.703  -4.258
    9   HG22  ILE   1          HG22      ILE   1 -11.669  -2.470  -5.468
   10   HG23  ILE   1          HG23      ILE   1 -12.331  -1.082  -4.606
   11   HD11  ILE   1          HD11      ILE   1 -12.523  -0.023  -2.870
   12   HD12  ILE   1          HD12      ILE   1 -10.868   0.295  -2.352
   13   HD13  ILE   1          HD13      ILE   1 -12.140   0.068  -1.152
   14    H    ARG   2           HN       ARG   2  -8.207  -4.108  -4.017
   15    HA   ARG   2           HA       ARG   2  -7.188  -4.180  -1.278
   16    HB2  ARG   2           HB2      ARG   2  -6.067  -5.480  -3.764
   17    HB3  ARG   2           HB1      ARG   2  -5.312  -5.526  -2.177
   18    HG2  ARG   2           HG2      ARG   2  -7.264  -6.718  -1.293
   19    HG3  ARG   2           HG1      ARG   2  -7.988  -6.698  -2.902
   20    HD2  ARG   2           HD2      ARG   2  -6.125  -8.005  -3.771
   21    HD3  ARG   2           HD1      ARG   2  -5.363  -7.995  -2.180
   22    HE   ARG   2           HE       ARG   2  -8.046  -9.119  -2.358
   23   HH11  ARG   2          HH11      ARG   2  -4.597  -9.716  -2.239
   24   HH12  ARG   2          HH12      ARG   2  -4.770 -11.354  -1.696
   25   HH21  ARG   2          HH21      ARG   2  -8.280 -11.269  -1.641
   26   HH22  ARG   2          HH22      ARG   2  -6.870 -12.239  -1.360
   27    H    ASP   3           HN       ASP   3  -7.299  -1.781  -1.599
   28    HA   ASP   3           HA       ASP   3  -4.729  -0.786  -2.530
   29    HB2  ASP   3           HB2      ASP   3  -6.425  -0.693  -4.442
   30    HB3  ASP   3           HB1      ASP   3  -7.261   0.524  -3.490
   31    H    GLU   4           HN       GLU   4  -4.565  -0.563  -0.229
   32    HA   GLU   4           HA       GLU   4  -6.055   1.763   0.805
   33    HB2  GLU   4           HB2      GLU   4  -5.629   0.899   3.081
   34    HB3  GLU   4           HB1      GLU   4  -6.587  -0.205   2.108
   35    HG2  GLU   4           HG2      GLU   4  -4.668  -1.621   1.750
   36    HG3  GLU   4           HG1      GLU   4  -3.629  -0.477   2.596
   37    H    CYS   5           HN       CYS   5  -2.910   0.144   0.816
   38    HA   CYS   5           HA       CYS   5  -1.641   2.526   1.908
   39    HB2  CYS   5           HB2      CYS   5  -0.909  -0.328   1.570
   40    HB3  CYS   5           HB1      CYS   5   0.396   0.841   1.531
   41    H    CYS   6           HN       CYS   6  -2.493   1.400  -1.088
   42    HA   CYS   6           HA       CYS   6  -0.127   1.785  -2.573
   43    HB2  CYS   6           HB2      CYS   6  -2.991   1.947  -3.500
   44    HB3  CYS   6           HB1      CYS   6  -1.583   1.638  -4.504
   45    H    SER   7           HN       SER   7  -2.571   3.973  -1.421
   46    HA   SER   7           HA       SER   7  -1.606   6.153  -3.094
   47    HB2  SER   7           HB2      SER   7  -4.051   5.866  -2.548
   48    HB3  SER   7           HB1      SER   7  -3.663   6.238  -0.869
   49    HG   SER   7           HG       SER   7  -3.722   8.262  -1.386
   50    H    ASN   8           HN       ASN   8  -0.171   4.658  -0.838
   51    HA   ASN   8           HA       ASN   8   0.814   7.027   0.598
   52    HB2  ASN   8           HB2      ASN   8   0.387   4.250   1.712
   53    HB3  ASN   8           HB1      ASN   8   1.133   5.585   2.581
   54   HD21  ASN   8          HD21      ASN   8  -1.807   4.354   1.215
   55   HD22  ASN   8          HD22      ASN   8  -2.892   5.350   2.124
   56    HA   PRO   9           HA       PRO   9   4.192   5.096  -1.776
   57    HB2  PRO   9           HB2      PRO   9   5.915   7.220  -1.478
   58    HB3  PRO   9           HB1      PRO   9   4.692   7.100  -2.745
   59    HG2  PRO   9           HG2      PRO   9   4.560   8.552  -0.135
   60    HG3  PRO   9           HG1      PRO   9   4.045   9.092  -1.747
   61    HD2  PRO   9           HD2      PRO   9   2.277   8.196   0.034
   62    HD3  PRO   9           HD1      PRO   9   2.102   7.817  -1.688
   63    H    VAL  10           HN       VAL  10   4.069   6.187   1.489
   64    HA   VAL  10           HA       VAL  10   6.742   5.213   2.124
   65    HB   VAL  10           HB       VAL  10   4.543   6.160   3.983
   66   HG11  VAL  10          HG11      VAL  10   6.192   4.695   5.069
   67   HG12  VAL  10          HG12      VAL  10   6.283   6.353   5.663
   68   HG13  VAL  10          HG13      VAL  10   7.484   5.760   4.517
   69   HG21  VAL  10          HG21      VAL  10   5.280   7.920   2.452
   70   HG22  VAL  10          HG22      VAL  10   6.951   7.637   2.928
   71   HG23  VAL  10          HG23      VAL  10   5.793   8.253   4.104
   72    H    CYS  11           HN       CYS  11   3.382   4.204   2.562
   73    HA   CYS  11           HA       CYS  11   4.053   1.903   4.093
   74    HB2  CYS  11           HB2      CYS  11   1.790   2.993   4.070
   75    HB3  CYS  11           HB1      CYS  11   1.547   2.339   2.457
   76    H    ARG  12           HN       ARG  12   3.720   2.562   0.638
   77    HA   ARG  12           HA       ARG  12   3.722  -0.215   0.022
   78    HB2  ARG  12           HB2      ARG  12   3.782   0.553  -2.369
   79    HB3  ARG  12           HB1      ARG  12   2.382   1.028  -1.415
   80    HG2  ARG  12           HG2      ARG  12   3.438   3.173  -1.006
   81    HG3  ARG  12           HG1      ARG  12   4.769   2.718  -2.072
   82    HD2  ARG  12           HD2      ARG  12   1.865   2.960  -2.815
   83    HD3  ARG  12           HD1      ARG  12   3.147   4.080  -3.273
   84    HE   ARG  12           HE       ARG  12   4.017   1.692  -4.232
   85   HH11  ARG  12          HH11      ARG  12   1.056   3.524  -4.639
   86   HH12  ARG  12          HH12      ARG  12   0.736   2.890  -6.221
   87   HH21  ARG  12          HH21      ARG  12   3.607   0.875  -6.320
   88   HH22  ARG  12          HH22      ARG  12   2.191   1.392  -7.180
   89    H    VAL  13           HN       VAL  13   6.216   2.068   0.401
   90    HA   VAL  13           HA       VAL  13   8.094   0.748  -1.259
   91    HB   VAL  13           HB       VAL  13   9.780   1.960   0.209
   92   HG11  VAL  13          HG11      VAL  13   7.687   3.556  -1.236
   93   HG12  VAL  13          HG12      VAL  13   9.093   2.784  -1.967
   94   HG13  VAL  13          HG13      VAL  13   9.309   4.118  -0.835
   95   HG21  VAL  13          HG21      VAL  13   7.257   3.155   1.285
   96   HG22  VAL  13          HG22      VAL  13   8.878   3.809   1.542
   97   HG23  VAL  13          HG23      VAL  13   8.451   2.220   2.181
   98    H    ASN  14           HN       ASN  14   7.113   0.384   2.136
   99    HA   ASN  14           HA       ASN  14   9.164  -1.455   2.835
  100    HB2  ASN  14           HB2      ASN  14   6.394  -1.746   3.957
  101    HB3  ASN  14           HB1      ASN  14   7.941  -1.999   4.752
  102   HD21  ASN  14          HD21      ASN  14   5.408   0.118   4.130
  103   HD22  ASN  14          HD22      ASN  14   6.063   1.523   4.914
  104    H    ASN  15           HN       ASN  15   5.880  -1.950   1.611
  105    HA   ASN  15           HA       ASN  15   6.136  -4.782   1.658
  106    HB2  ASN  15           HB2      ASN  15   3.816  -4.752   1.065
  107    HB3  ASN  15           HB1      ASN  15   4.076  -3.508   2.269
  108   HD21  ASN  15          HD21      ASN  15   2.297  -2.357   1.749
  109   HD22  ASN  15          HD22      ASN  15   2.123  -1.474   0.277
  110    HA   HYP  16           HA       HYP  16   7.155  -5.412  -2.628
  111    HB2  HYP  16           HB1      HYP  16   7.450  -7.596  -2.182
  112    HB3  HYP  16           HB2      HYP  16   5.832  -7.824  -2.842
  113    HG   HYP  16           HG       HYP  16   5.048  -8.413  -0.816
  114   HD22  HYP  16          HD22      HYP  16   4.663  -6.508   0.380
  115   HD23  HYP  16          HD23      HYP  16   6.317  -6.559   0.951
  116    HD1  HYP  16           HD1      HYP  16   7.134  -8.019   0.773
  117    H    HIS  17           HN       HIS  17   5.100  -3.629  -2.450
  118    HA   HIS  17           HA       HIS  17   3.489  -2.681  -3.747
  119    HB2  HIS  17           HB2      HIS  17   4.633  -3.743  -5.671
  120    HB3  HIS  17           HB1      HIS  17   3.660  -5.188  -5.440
  121    HD1  HIS  17           HD1      HIS  17   1.762  -5.320  -6.994
  122    HD2  HIS  17           HD2      HIS  17   2.759  -1.378  -6.137
  123    HE1  HIS  17           HE1      HIS  17   0.204  -3.915  -8.376
  124    HE2  HIS  17           HE2      HIS  17   0.973  -1.549  -8.001
  125    H    VAL  18           HN       VAL  18   3.100  -4.894  -1.622
  126    HA   VAL  18           HA       VAL  18   0.342  -5.673  -2.209
  127    HB   VAL  18           HB       VAL  18   2.011  -6.434   0.201
  128   HG11  VAL  18          HG11      VAL  18  -0.401  -6.676   0.511
  129   HG12  VAL  18          HG12      VAL  18   0.395  -8.248   0.457
  130   HG13  VAL  18          HG13      VAL  18  -0.496  -7.661  -0.948
  131   HG21  VAL  18          HG21      VAL  18   3.111  -7.221  -1.823
  132   HG22  VAL  18          HG22      VAL  18   1.607  -7.961  -2.369
  133   HG23  VAL  18          HG23      VAL  18   2.417  -8.572  -0.928
  134    H    CYS  19           HN       CYS  19  -0.163  -3.361  -2.104
  135    HA   CYS  19           HA       CYS  19  -0.064  -2.193   0.571
  136    HB2  CYS  19           HB2      CYS  19  -0.724  -0.092  -0.784
  137    HB3  CYS  19           HB1      CYS  19   0.911  -0.721  -0.944
  Start of MODEL   10
    1    H1   ILE   1           HT1      ILE   1  -8.930  -6.901  -1.225
    2    H2   ILE   1           HT2      ILE   1  -9.979  -6.681   0.079
    3    H3   ILE   1           HT3      ILE   1  -8.876  -7.960   0.092
    4    HA   ILE   1           HA       ILE   1  -8.142  -6.176   1.533
    5    HB   ILE   1           HB       ILE   1  -6.431  -6.333  -0.956
    6   HG12  ILE   1          HG12      ILE   1  -7.040  -8.584  -0.255
    7   HG13  ILE   1          HG11      ILE   1  -5.350  -8.278   0.127
    8   HG21  ILE   1          HG21      ILE   1  -4.562  -5.993   0.588
    9   HG22  ILE   1          HG22      ILE   1  -5.698  -5.846   1.928
   10   HG23  ILE   1          HG23      ILE   1  -5.698  -4.645   0.637
   11   HD11  ILE   1          HD11      ILE   1  -6.449  -9.475   1.919
   12   HD12  ILE   1          HD12      ILE   1  -7.645  -8.189   2.066
   13   HD13  ILE   1          HD13      ILE   1  -5.956  -7.871   2.455
   14    H    ARG   2           HN       ARG   2  -8.060  -4.016   1.923
   15    HA   ARG   2           HA       ARG   2  -9.026  -2.232  -0.124
   16    HB2  ARG   2           HB2      ARG   2  -8.132  -1.563   2.674
   17    HB3  ARG   2           HB1      ARG   2  -9.065  -0.533   1.606
   18    HG2  ARG   2           HG2      ARG   2 -10.905  -2.181   1.699
   19    HG3  ARG   2           HG1      ARG   2  -9.970  -3.106   2.876
   20    HD2  ARG   2           HD2      ARG   2 -10.987  -0.282   3.183
   21    HD3  ARG   2           HD1      ARG   2 -11.582  -1.712   4.021
   22    HE   ARG   2           HE       ARG   2  -8.778  -1.084   4.424
   23   HH11  ARG   2          HH11      ARG   2 -12.055  -0.794   5.629
   24   HH12  ARG   2          HH12      ARG   2 -11.558  -0.421   7.249
   25   HH21  ARG   2          HH21      ARG   2  -8.126  -0.574   6.549
   26   HH22  ARG   2          HH22      ARG   2  -9.327  -0.286   7.767
   27    H    ASP   3           HN       ASP   3  -7.660  -1.360  -1.548
   28    HA   ASP   3           HA       ASP   3  -4.823  -1.273  -0.996
   29    HB2  ASP   3           HB2      ASP   3  -6.405  -0.371  -3.411
   30    HB3  ASP   3           HB1      ASP   3  -4.650  -0.327  -3.290
   31    H    GLU   4           HN       GLU   4  -5.634   0.212   0.887
   32    HA   GLU   4           HA       GLU   4  -6.137   2.940   0.125
   33    HB2  GLU   4           HB2      GLU   4  -7.284   1.945   2.052
   34    HB3  GLU   4           HB1      GLU   4  -5.733   1.661   2.834
   35    HG2  GLU   4           HG2      GLU   4  -6.743   3.611   3.778
   36    HG3  GLU   4           HG1      GLU   4  -5.330   4.069   2.831
   37    H    CYS   5           HN       CYS   5  -3.641   1.220   2.018
   38    HA   CYS   5           HA       CYS   5  -1.953   3.470   2.235
   39    HB2  CYS   5           HB2      CYS   5  -0.530   2.071   3.388
   40    HB3  CYS   5           HB1      CYS   5  -2.059   1.243   3.603
   41    H    CYS   6           HN       CYS   6  -2.630   1.439  -0.356
   42    HA   CYS   6           HA       CYS   6  -0.170   1.313  -1.705
   43    HB2  CYS   6           HB2      CYS   6  -2.262   0.038  -2.251
   44    HB3  CYS   6           HB1      CYS   6  -2.929   1.524  -2.914
   45    H    SER   7           HN       SER   7  -2.492   3.879  -1.303
   46    HA   SER   7           HA       SER   7  -1.336   5.532  -3.387
   47    HB2  SER   7           HB2      SER   7  -3.312   6.355  -1.247
   48    HB3  SER   7           HB1      SER   7  -3.035   7.119  -2.813
   49    HG   SER   7           HG       SER   7  -3.630   4.725  -3.471
   50    H    ASN   8           HN       ASN   8  -0.121   4.548  -0.661
   51    HA   ASN   8           HA       ASN   8   0.903   7.149   0.282
   52    HB2  ASN   8           HB2      ASN   8   0.469   4.541   1.724
   53    HB3  ASN   8           HB1      ASN   8   1.340   5.893   2.428
   54   HD21  ASN   8          HD21      ASN   8  -1.799   4.852   1.215
   55   HD22  ASN   8          HD22      ASN   8  -2.729   5.998   2.118
   56    HA   PRO   9           HA       PRO   9   4.575   5.425  -1.563
   57    HB2  PRO   9           HB2      PRO   9   6.275   7.444  -0.810
   58    HB3  PRO   9           HB1      PRO   9   5.190   7.536  -2.199
   59    HG2  PRO   9           HG2      PRO   9   4.799   8.609   0.567
   60    HG3  PRO   9           HG1      PRO   9   4.482   9.395  -0.993
   61    HD2  PRO   9           HD2      PRO   9   2.507   8.306   0.432
   62    HD3  PRO   9           HD1      PRO   9   2.520   8.200  -1.337
   63    H    VAL  10           HN       VAL  10   4.064   6.118   1.759
   64    HA   VAL  10           HA       VAL  10   6.600   5.000   2.621
   65    HB   VAL  10           HB       VAL  10   4.160   5.780   4.242
   66   HG11  VAL  10          HG11      VAL  10   6.956   5.109   5.154
   67   HG12  VAL  10          HG12      VAL  10   5.520   4.116   5.401
   68   HG13  VAL  10          HG13      VAL  10   5.647   5.692   6.181
   69   HG21  VAL  10          HG21      VAL  10   5.444   7.766   4.833
   70   HG22  VAL  10          HG22      VAL  10   5.208   7.668   3.090
   71   HG23  VAL  10          HG23      VAL  10   6.762   7.233   3.794
   72    H    CYS  11           HN       CYS  11   3.311   3.906   2.101
   73    HA   CYS  11           HA       CYS  11   3.814   1.440   3.504
   74    HB2  CYS  11           HB2      CYS  11   1.519   2.355   3.428
   75    HB3  CYS  11           HB1      CYS  11   1.494   2.094   1.685
   76    H    ARG  12           HN       ARG  12   3.605   2.510   0.128
   77    HA   ARG  12           HA       ARG  12   3.888  -0.118  -0.840
   78    HB2  ARG  12           HB2      ARG  12   4.356   1.065  -3.072
   79    HB3  ARG  12           HB1      ARG  12   2.753   1.163  -2.356
   80    HG2  ARG  12           HG2      ARG  12   3.428   3.317  -1.368
   81    HG3  ARG  12           HG1      ARG  12   4.911   3.237  -2.320
   82    HD2  ARG  12           HD2      ARG  12   3.458   2.994  -4.357
   83    HD3  ARG  12           HD1      ARG  12   2.075   3.337  -3.320
   84    HE   ARG  12           HE       ARG  12   4.214   5.305  -3.329
   85   HH11  ARG  12          HH11      ARG  12   1.046   4.359  -4.475
   86   HH12  ARG  12          HH12      ARG  12   0.658   5.936  -5.090
   87   HH21  ARG  12          HH21      ARG  12   3.696   7.393  -4.125
   88   HH22  ARG  12          HH22      ARG  12   2.156   7.659  -4.878
   89    H    VAL  13           HN       VAL  13   6.157   2.115   0.228
   90    HA   VAL  13           HA       VAL  13   8.381   1.070  -1.211
   91    HB   VAL  13           HB       VAL  13   8.455   3.321  -0.316
   92   HG11  VAL  13          HG11      VAL  13   8.372   3.824   1.993
   93   HG12  VAL  13          HG12      VAL  13   8.446   2.119   2.433
   94   HG13  VAL  13          HG13      VAL  13   6.999   2.762   1.651
   95   HG21  VAL  13          HG21      VAL  13  10.575   3.231   0.913
   96   HG22  VAL  13          HG22      VAL  13  10.579   2.204  -0.522
   97   HG23  VAL  13          HG23      VAL  13  10.385   1.488   1.076
   98    H    ASN  14           HN       ASN  14   6.935   0.464   1.997
   99    HA   ASN  14           HA       ASN  14   9.034  -1.462   2.582
  100    HB2  ASN  14           HB2      ASN  14   8.176  -1.606   4.776
  101    HB3  ASN  14           HB1      ASN  14   8.048   0.087   4.333
  102   HD21  ASN  14          HD21      ASN  14   6.046   1.024   4.153
  103   HD22  ASN  14          HD22      ASN  14   4.594   0.222   4.638
  104    H    ASN  15           HN       ASN  15   5.691  -1.469   1.555
  105    HA   ASN  15           HA       ASN  15   5.196  -4.178   2.109
  106    HB2  ASN  15           HB2      ASN  15   3.125  -3.660   1.492
  107    HB3  ASN  15           HB1      ASN  15   3.684  -2.016   1.257
  108   HD21  ASN  15          HD21      ASN  15   2.707  -1.281  -0.460
  109   HD22  ASN  15          HD22      ASN  15   2.573  -2.047  -2.003
  110    HA   HYP  16           HA       HYP  16   7.482  -6.122  -1.071
  111    HB2  HYP  16           HB1      HYP  16   7.638  -7.944   0.229
  112    HB3  HYP  16           HB2      HYP  16   6.202  -8.532  -0.606
  113    HG   HYP  16           HG       HYP  16   4.961  -8.304   1.263
  114   HD22  HYP  16          HD22      HYP  16   4.405  -6.118   1.580
  115   HD23  HYP  16          HD23      HYP  16   5.958  -5.834   2.346
  116    HD1  HYP  16           HD1      HYP  16   6.555  -7.268   3.054
  117    H    HIS  17           HN       HIS  17   4.146  -7.274  -0.832
  118    HA   HIS  17           HA       HIS  17   3.586  -6.433  -3.535
  119    HB2  HIS  17           HB2      HIS  17   3.981  -9.311  -2.825
  120    HB3  HIS  17           HB1      HIS  17   2.744  -8.889  -4.003
  121    HD1  HIS  17           HD1      HIS  17   6.101  -9.935  -3.914
  122    HD2  HIS  17           HD2      HIS  17   4.052  -7.039  -6.078
  123    HE1  HIS  17           HE1      HIS  17   7.521  -9.467  -5.936
  124    HE2  HIS  17           HE2      HIS  17   6.167  -7.852  -7.313
  125    H    VAL  18           HN       VAL  18   2.374  -5.506  -1.243
  126    HA   VAL  18           HA       VAL  18  -0.208  -6.908  -1.228
  127    HB   VAL  18           HB       VAL  18   0.819  -5.938   0.921
  128   HG11  VAL  18          HG11      VAL  18   0.305  -3.618   1.427
  129   HG12  VAL  18          HG12      VAL  18  -0.302  -3.383  -0.211
  130   HG13  VAL  18          HG13      VAL  18   1.404  -3.734   0.055
  131   HG21  VAL  18          HG21      VAL  18  -1.384  -5.368   1.823
  132   HG22  VAL  18          HG22      VAL  18  -1.449  -6.796   0.792
  133   HG23  VAL  18          HG23      VAL  18  -2.018  -5.243   0.183
  134    H    CYS  19           HN       CYS  19   1.348  -4.035  -2.368
  135    HA   CYS  19           HA       CYS  19  -0.326  -3.807  -4.588
  136    HB2  CYS  19           HB2      CYS  19  -1.910  -2.869  -2.863
  137    HB3  CYS  19           HB1      CYS  19  -0.751  -1.569  -2.587
  Start of MODEL   11
    1    H1   ILE   1           HT1      ILE   1  -8.946  -1.943  -3.715
    2    H2   ILE   1           HT2      ILE   1 -10.157  -2.701  -4.624
    3    H3   ILE   1           HT3      ILE   1  -9.397  -3.540  -3.372
    4    HA   ILE   1           HA       ILE   1 -11.091  -1.151  -3.055
    5    HB   ILE   1           HB       ILE   1 -12.294  -3.250  -3.719
    6   HG12  ILE   1          HG12      ILE   1 -12.908  -2.231  -0.939
    7   HG13  ILE   1          HG11      ILE   1 -13.411  -1.458  -2.438
    8   HG21  ILE   1          HG21      ILE   1 -10.863  -4.864  -2.625
    9   HG22  ILE   1          HG22      ILE   1 -12.525  -5.036  -2.063
   10   HG23  ILE   1          HG23      ILE   1 -11.327  -4.236  -1.046
   11   HD11  ILE   1          HD11      ILE   1 -14.771  -3.399  -2.988
   12   HD12  ILE   1          HD12      ILE   1 -15.224  -2.720  -1.425
   13   HD13  ILE   1          HD13      ILE   1 -14.253  -4.191  -1.501
   14    H    ARG   2           HN       ARG   2  -8.433  -2.545  -2.005
   15    HA   ARG   2           HA       ARG   2  -8.725  -1.445   0.676
   16    HB2  ARG   2           HB2      ARG   2  -7.595  -4.155  -0.012
   17    HB3  ARG   2           HB1      ARG   2  -7.154  -3.319   1.467
   18    HG2  ARG   2           HG2      ARG   2  -9.966  -4.074   0.702
   19    HG3  ARG   2           HG1      ARG   2  -8.922  -5.015   1.767
   20    HD2  ARG   2           HD2      ARG   2 -10.313  -3.733   3.183
   21    HD3  ARG   2           HD1      ARG   2  -8.738  -2.947   3.205
   22    HE   ARG   2           HE       ARG   2 -10.544  -1.869   1.243
   23   HH11  ARG   2          HH11      ARG   2  -9.538  -1.706   4.593
   24   HH12  ARG   2          HH12      ARG   2 -10.076  -0.073   4.802
   25   HH21  ARG   2          HH21      ARG   2 -11.240   0.267   1.517
   26   HH22  ARG   2          HH22      ARG   2 -11.045   1.051   3.050
   27    H    ASP   3           HN       ASP   3  -7.745  -0.083  -1.406
   28    HA   ASP   3           HA       ASP   3  -4.891  -0.600  -1.687
   29    HB2  ASP   3           HB2      ASP   3  -6.725   1.255  -3.208
   30    HB3  ASP   3           HB1      ASP   3  -5.039   0.943  -3.600
   31    H    GLU   4           HN       GLU   4  -5.376   0.341   0.777
   32    HA   GLU   4           HA       GLU   4  -5.208   3.163   1.020
   33    HB2  GLU   4           HB2      GLU   4  -4.664   0.871   2.876
   34    HB3  GLU   4           HB1      GLU   4  -4.209   2.501   3.339
   35    HG2  GLU   4           HG2      GLU   4  -6.375   1.854   4.252
   36    HG3  GLU   4           HG1      GLU   4  -6.505   3.230   3.160
   37    H    CYS   5           HN       CYS   5  -2.693   0.676   1.567
   38    HA   CYS   5           HA       CYS   5  -0.599   2.486   1.883
   39    HB2  CYS   5           HB2      CYS   5  -0.675  -0.420   1.117
   40    HB3  CYS   5           HB1      CYS   5   0.819   0.453   1.402
   41    H    CYS   6           HN       CYS   6  -2.049   1.185  -0.956
   42    HA   CYS   6           HA       CYS   6  -0.042   1.646  -2.838
   43    HB2  CYS   6           HB2      CYS   6  -3.049   1.718  -3.016
   44    HB3  CYS   6           HB1      CYS   6  -1.990   1.716  -4.422
   45    H    SER   7           HN       SER   7  -2.284   3.808  -1.256
   46    HA   SER   7           HA       SER   7  -1.669   5.995  -3.083
   47    HB2  SER   7           HB2      SER   7  -3.994   5.692  -2.315
   48    HB3  SER   7           HB1      SER   7  -3.470   5.891  -0.645
   49    HG   SER   7           HG       SER   7  -4.298   7.778  -2.169
   50    H    ASN   8           HN       ASN   8  -0.243   4.589  -0.497
   51    HA   ASN   8           HA       ASN   8   0.889   7.111   0.535
   52    HB2  ASN   8           HB2      ASN   8   0.427   4.490   1.951
   53    HB3  ASN   8           HB1      ASN   8   1.316   5.840   2.642
   54   HD21  ASN   8          HD21      ASN   8  -1.817   4.798   1.457
   55   HD22  ASN   8          HD22      ASN   8  -2.739   5.941   2.386
   56    HA   PRO   9           HA       PRO   9   4.292   5.130  -1.633
   57    HB2  PRO   9           HB2      PRO   9   6.094   7.167  -1.159
   58    HB3  PRO   9           HB1      PRO   9   4.948   7.130  -2.502
   59    HG2  PRO   9           HG2      PRO   9   4.715   8.516   0.134
   60    HG3  PRO   9           HG1      PRO   9   4.302   9.109  -1.486
   61    HD2  PRO   9           HD2      PRO   9   2.416   8.232   0.174
   62    HD3  PRO   9           HD1      PRO   9   2.322   7.889  -1.562
   63    H    VAL  10           HN       VAL  10   4.140   6.137   1.671
   64    HA   VAL  10           HA       VAL  10   6.744   5.078   2.366
   65    HB   VAL  10           HB       VAL  10   5.580   6.961   3.580
   66   HG11  VAL  10          HG11      VAL  10   3.368   6.037   3.785
   67   HG12  VAL  10          HG12      VAL  10   4.030   6.401   5.377
   68   HG13  VAL  10          HG13      VAL  10   3.986   4.736   4.799
   69   HG21  VAL  10          HG21      VAL  10   6.448   6.312   5.774
   70   HG22  VAL  10          HG22      VAL  10   7.557   5.874   4.478
   71   HG23  VAL  10          HG23      VAL  10   6.547   4.639   5.229
   72    H    CYS  11           HN       CYS  11   3.397   4.044   2.575
   73    HA   CYS  11           HA       CYS  11   4.082   1.650   3.983
   74    HB2  CYS  11           HB2      CYS  11   1.801   2.747   4.073
   75    HB3  CYS  11           HB1      CYS  11   1.515   2.094   2.463
   76    H    ARG  12           HN       ARG  12   3.432   2.477   0.587
   77    HA   ARG  12           HA       ARG  12   3.487  -0.229  -0.203
   78    HB2  ARG  12           HB2      ARG  12   3.598   0.693  -2.549
   79    HB3  ARG  12           HB1      ARG  12   2.190   1.131  -1.586
   80    HG2  ARG  12           HG2      ARG  12   3.325   3.216  -1.002
   81    HG3  ARG  12           HG1      ARG  12   4.612   2.807  -2.133
   82    HD2  ARG  12           HD2      ARG  12   1.699   3.210  -2.784
   83    HD3  ARG  12           HD1      ARG  12   3.013   4.318  -3.172
   84    HE   ARG  12           HE       ARG  12   3.446   1.716  -4.258
   85   HH11  ARG  12          HH11      ARG  12   1.725   4.716  -4.779
   86   HH12  ARG  12          HH12      ARG  12   1.628   4.508  -6.496
   87   HH21  ARG  12          HH21      ARG  12   3.301   1.427  -6.518
   88   HH22  ARG  12          HH22      ARG  12   2.500   2.628  -7.484
   89    H    VAL  13           HN       VAL  13   5.948   2.119   0.150
   90    HA   VAL  13           HA       VAL  13   7.869   0.974  -1.554
   91    HB   VAL  13           HB       VAL  13   8.000   3.265  -0.720
   92   HG11  VAL  13          HG11      VAL  13   8.449   3.801   1.538
   93   HG12  VAL  13          HG12      VAL  13   8.710   2.107   1.954
   94   HG13  VAL  13          HG13      VAL  13   7.088   2.666   1.528
   95   HG21  VAL  13          HG21      VAL  13  10.347   3.316  -0.069
   96   HG22  VAL  13          HG22      VAL  13  10.060   2.237  -1.432
   97   HG23  VAL  13          HG23      VAL  13  10.309   1.573   0.181
   98    H    ASN  14           HN       ASN  14   7.111   0.472   1.897
   99    HA   ASN  14           HA       ASN  14   9.294  -1.453   2.124
  100    HB2  ASN  14           HB2      ASN  14   8.900  -1.474   4.462
  101    HB3  ASN  14           HB1      ASN  14   8.673   0.201   3.969
  102   HD21  ASN  14          HD21      ASN  14   6.626   1.105   4.040
  103   HD22  ASN  14          HD22      ASN  14   5.300   0.329   4.833
  104    H    ASN  15           HN       ASN  15   5.927  -1.436   1.520
  105    HA   ASN  15           HA       ASN  15   5.282  -3.970   2.556
  106    HB2  ASN  15           HB2      ASN  15   3.221  -3.227   2.149
  107    HB3  ASN  15           HB1      ASN  15   3.916  -1.782   1.436
  108   HD21  ASN  15          HD21      ASN  15   4.205  -1.751  -0.851
  109   HD22  ASN  15          HD22      ASN  15   3.183  -2.707  -1.865
  110    HA   HYP  16           HA       HYP  16   7.035  -6.630  -0.440
  111    HB2  HYP  16           HB1      HYP  16   6.887  -8.273   1.070
  112    HB3  HYP  16           HB2      HYP  16   5.410  -8.754   0.238
  113    HG   HYP  16           HG       HYP  16   4.141  -8.125   1.994
  114   HD22  HYP  16          HD22      HYP  16   3.960  -5.852   2.127
  115   HD23  HYP  16          HD23      HYP  16   5.537  -5.763   2.891
  116    HD1  HYP  16           HD1      HYP  16   5.928  -7.189   3.703
  117    H    HIS  17           HN       HIS  17   5.186  -4.964  -1.671
  118    HA   HIS  17           HA       HIS  17   3.999  -4.794  -3.606
  119    HB2  HIS  17           HB2      HIS  17   4.936  -7.641  -4.012
  120    HB3  HIS  17           HB1      HIS  17   4.170  -6.652  -5.250
  121    HD1  HIS  17           HD1      HIS  17   7.404  -7.594  -4.009
  122    HD2  HIS  17           HD2      HIS  17   5.800  -4.201  -5.788
  123    HE1  HIS  17           HE1      HIS  17   9.369  -6.293  -4.877
  124    HE2  HIS  17           HE2      HIS  17   8.384  -4.160  -5.779
  125    H    VAL  18           HN       VAL  18   2.533  -5.361  -1.336
  126    HA   VAL  18           HA       VAL  18   0.392  -7.158  -2.251
  127    HB   VAL  18           HB       VAL  18   0.463  -5.671   0.371
  128   HG11  VAL  18          HG11      VAL  18  -0.975  -7.503   1.124
  129   HG12  VAL  18          HG12      VAL  18  -0.894  -8.221  -0.483
  130   HG13  VAL  18          HG13      VAL  18  -1.664  -6.651  -0.256
  131   HG21  VAL  18          HG21      VAL  18   1.425  -7.714   1.386
  132   HG22  VAL  18          HG22      VAL  18   2.536  -6.878   0.304
  133   HG23  VAL  18          HG23      VAL  18   1.714  -8.343  -0.235
  134    H    CYS  19           HN       CYS  19   1.058  -3.887  -1.173
  135    HA   CYS  19           HA       CYS  19  -0.847  -2.796  -3.038
  136    HB2  CYS  19           HB2      CYS  19  -2.208  -3.232  -0.979
  137    HB3  CYS  19           HB1      CYS  19  -1.118  -2.188  -0.082
  Start of MODEL   12
    1    H1   ILE   1           HT1      ILE   1 -10.985  -7.311  -0.673
    2    H2   ILE   1           HT2      ILE   1 -11.679  -5.890  -1.266
    3    H3   ILE   1           HT3      ILE   1 -11.755  -6.243   0.383
    4    HA   ILE   1           HA       ILE   1  -9.382  -6.042   0.589
    5    HB   ILE   1           HB       ILE   1  -9.458  -5.218  -2.320
    6   HG12  ILE   1          HG12      ILE   1  -8.216  -7.659  -1.029
    7   HG13  ILE   1          HG11      ILE   1  -9.678  -7.662  -2.007
    8   HG21  ILE   1          HG21      ILE   1  -7.019  -5.078  -2.111
    9   HG22  ILE   1          HG22      ILE   1  -7.151  -5.448  -0.391
   10   HG23  ILE   1          HG23      ILE   1  -7.836  -3.951  -1.027
   11   HD11  ILE   1          HD11      ILE   1  -6.924  -6.912  -2.956
   12   HD12  ILE   1          HD12      ILE   1  -8.388  -6.922  -3.938
   13   HD13  ILE   1          HD13      ILE   1  -7.759  -8.431  -3.277
   14    H    ARG   2           HN       ARG   2  -9.078  -4.234   1.720
   15    HA   ARG   2           HA       ARG   2 -10.266  -1.755   0.740
   16    HB2  ARG   2           HB2      ARG   2 -10.303  -2.765   3.585
   17    HB3  ARG   2           HB1      ARG   2 -10.818  -1.159   3.089
   18    HG2  ARG   2           HG2      ARG   2 -12.061  -3.737   2.159
   19    HG3  ARG   2           HG1      ARG   2 -12.699  -2.697   3.435
   20    HD2  ARG   2           HD2      ARG   2 -13.010  -0.897   1.864
   21    HD3  ARG   2           HD1      ARG   2 -12.243  -1.832   0.584
   22    HE   ARG   2           HE       ARG   2 -14.296  -3.414   1.326
   23   HH11  ARG   2          HH11      ARG   2 -14.100  -0.037   0.431
   24   HH12  ARG   2          HH12      ARG   2 -15.701   0.009  -0.236
   25   HH21  ARG   2          HH21      ARG   2 -16.401  -3.359   0.448
   26   HH22  ARG   2          HH22      ARG   2 -17.008  -1.884  -0.236
   27    H    ASP   3           HN       ASP   3  -7.578  -2.732   0.510
   28    HA   ASP   3           HA       ASP   3  -6.058  -1.120   2.393
   29    HB2  ASP   3           HB2      ASP   3  -5.211  -3.143   0.319
   30    HB3  ASP   3           HB1      ASP   3  -4.066  -2.161   1.227
   31    H    GLU   4           HN       GLU   4  -6.257   0.937   1.825
   32    HA   GLU   4           HA       GLU   4  -5.856   1.713  -0.972
   33    HB2  GLU   4           HB2      GLU   4  -6.609   3.960  -0.149
   34    HB3  GLU   4           HB1      GLU   4  -7.813   2.685  -0.035
   35    HG2  GLU   4           HG2      GLU   4  -7.412   2.463   2.329
   36    HG3  GLU   4           HG1      GLU   4  -6.084   3.620   2.246
   37    H    CYS   5           HN       CYS   5  -3.834   1.014   1.314
   38    HA   CYS   5           HA       CYS   5  -2.380   3.376   1.780
   39    HB2  CYS   5           HB2      CYS   5  -0.961   2.094   3.018
   40    HB3  CYS   5           HB1      CYS   5  -2.373   1.064   3.017
   41    H    CYS   6           HN       CYS   6  -2.682   1.564  -1.032
   42    HA   CYS   6           HA       CYS   6  -0.167   1.814  -2.215
   43    HB2  CYS   6           HB2      CYS   6  -2.959   1.786  -3.312
   44    HB3  CYS   6           HB1      CYS   6  -1.570   1.969  -4.367
   45    H    SER   7           HN       SER   7  -2.618   4.194  -1.536
   46    HA   SER   7           HA       SER   7  -1.370   6.198  -3.235
   47    HB2  SER   7           HB2      SER   7  -3.854   6.111  -2.909
   48    HB3  SER   7           HB1      SER   7  -3.608   6.523  -1.214
   49    HG   SER   7           HG       SER   7  -2.579   8.464  -1.949
   50    H    ASN   8           HN       ASN   8  -0.208   4.795  -0.805
   51    HA   ASN   8           HA       ASN   8   0.856   7.184   0.537
   52    HB2  ASN   8           HB2      ASN   8   0.201   4.497   1.755
   53    HB3  ASN   8           HB1      ASN   8   1.012   5.808   2.603
   54   HD21  ASN   8          HD21      ASN   8  -1.950   4.825   1.062
   55   HD22  ASN   8          HD22      ASN   8  -3.003   5.884   1.940
   56    HA   PRO   9           HA       PRO   9   4.174   5.065  -1.693
   57    HB2  PRO   9           HB2      PRO   9   5.669   7.364  -0.528
   58    HB3  PRO   9           HB1      PRO   9   5.668   6.757  -2.188
   59    HG2  PRO   9           HG2      PRO   9   4.354   8.974  -1.573
   60    HG3  PRO   9           HG1      PRO   9   3.641   7.791  -2.687
   61    HD2  PRO   9           HD2      PRO   9   3.020   8.293   0.195
   62    HD3  PRO   9           HD1      PRO   9   1.925   7.917  -1.146
   63    H    VAL  10           HN       VAL  10   4.076   6.049   1.654
   64    HA   VAL  10           HA       VAL  10   6.588   4.828   2.348
   65    HB   VAL  10           HB       VAL  10   4.318   5.719   4.142
   66   HG11  VAL  10          HG11      VAL  10   5.721   4.063   5.248
   67   HG12  VAL  10          HG12      VAL  10   5.990   5.664   5.941
   68   HG13  VAL  10          HG13      VAL  10   7.165   4.981   4.818
   69   HG21  VAL  10          HG21      VAL  10   6.911   7.088   3.427
   70   HG22  VAL  10          HG22      VAL  10   5.694   7.692   4.549
   71   HG23  VAL  10          HG23      VAL  10   5.316   7.542   2.835
   72    H    CYS  11           HN       CYS  11   3.210   3.855   2.363
   73    HA   CYS  11           HA       CYS  11   3.590   1.455   3.816
   74    HB2  CYS  11           HB2      CYS  11   1.357   2.407   3.566
   75    HB3  CYS  11           HB1      CYS  11   1.434   2.179   1.822
   76    H    ARG  12           HN       ARG  12   3.781   2.299   0.414
   77    HA   ARG  12           HA       ARG  12   3.832  -0.437  -0.364
   78    HB2  ARG  12           HB2      ARG  12   4.155   0.549  -2.702
   79    HB3  ARG  12           HB1      ARG  12   2.618   0.790  -1.883
   80    HG2  ARG  12           HG2      ARG  12   3.542   2.975  -1.102
   81    HG3  ARG  12           HG1      ARG  12   4.858   2.730  -2.243
   82    HD2  ARG  12           HD2      ARG  12   1.917   2.864  -2.891
   83    HD3  ARG  12           HD1      ARG  12   3.111   4.114  -3.230
   84    HE   ARG  12           HE       ARG  12   4.050   1.864  -4.485
   85   HH11  ARG  12          HH11      ARG  12   1.120   3.779  -4.648
   86   HH12  ARG  12          HH12      ARG  12   0.839   3.420  -6.323
   87   HH21  ARG  12          HH21      ARG  12   3.679   1.396  -6.675
   88   HH22  ARG  12          HH22      ARG  12   2.289   2.061  -7.475
   89    H    VAL  13           HN       VAL  13   6.226   2.088  -0.092
   90    HA   VAL  13           HA       VAL  13   8.285   0.864  -1.488
   91    HB   VAL  13           HB       VAL  13   9.787   2.156   0.066
   92   HG11  VAL  13          HG11      VAL  13   9.011   3.070  -2.053
   93   HG12  VAL  13          HG12      VAL  13   9.111   4.329  -0.821
   94   HG13  VAL  13          HG13      VAL  13   7.543   3.652  -1.264
   95   HG21  VAL  13          HG21      VAL  13   8.602   2.250   2.076
   96   HG22  VAL  13          HG22      VAL  13   7.130   2.794   1.277
   97   HG23  VAL  13          HG23      VAL  13   8.510   3.892   1.434
   98    H    ASN  14           HN       ASN  14   7.432   0.546   1.975
   99    HA   ASN  14           HA       ASN  14   9.544  -1.444   2.238
  100    HB2  ASN  14           HB2      ASN  14   8.934  -1.404   4.684
  101    HB3  ASN  14           HB1      ASN  14   9.549   0.098   4.027
  102   HD21  ASN  14          HD21      ASN  14   6.264  -1.045   3.568
  103   HD22  ASN  14          HD22      ASN  14   5.540   0.205   4.501
  104    H    ASN  15           HN       ASN  15   6.407  -1.529   1.293
  105    HA   ASN  15           HA       ASN  15   6.276  -4.373   1.690
  106    HB2  ASN  15           HB2      ASN  15   5.346  -3.445   3.831
  107    HB3  ASN  15           HB1      ASN  15   4.080  -2.688   2.871
  108   HD21  ASN  15          HD21      ASN  15   3.715  -4.585   4.950
  109   HD22  ASN  15          HD22      ASN  15   2.965  -5.979   4.258
  110    HA   HYP  16           HA       HYP  16   4.118  -3.072  -2.107
  111    HB2  HYP  16           HB1      HYP  16   5.915  -3.240  -3.448
  112    HB3  HYP  16           HB2      HYP  16   5.673  -4.987  -3.500
  113    HG   HYP  16           HG       HYP  16   7.741  -5.076  -2.508
  114   HD22  HYP  16          HD22      HYP  16   6.502  -5.761  -0.634
  115   HD23  HYP  16          HD23      HYP  16   7.309  -4.352   0.055
  116    HD1  HYP  16           HD1      HYP  16   7.584  -2.766  -1.020
  117    H    HIS  17           HN       HIS  17   3.660  -5.465  -0.083
  118    HA   HIS  17           HA       HIS  17   2.172  -7.140  -1.994
  119    HB2  HIS  17           HB2      HIS  17   3.632  -7.911   0.513
  120    HB3  HIS  17           HB1      HIS  17   2.347  -8.921  -0.142
  121    HD1  HIS  17           HD1      HIS  17   5.878  -8.595  -0.249
  122    HD2  HIS  17           HD2      HIS  17   2.948  -9.506  -3.051
  123    HE1  HIS  17           HE1      HIS  17   7.077  -9.749  -2.132
  124    HE2  HIS  17           HE2      HIS  17   5.305 -10.172  -3.870
  125    H    VAL  18           HN       VAL  18   2.071  -5.489   1.114
  126    HA   VAL  18           HA       VAL  18  -0.391  -6.440   2.028
  127    HB   VAL  18           HB       VAL  18   1.133  -5.081   3.406
  128   HG11  VAL  18          HG11      VAL  18   0.187  -2.771   1.719
  129   HG12  VAL  18          HG12      VAL  18   1.819  -3.433   1.769
  130   HG13  VAL  18          HG13      VAL  18   1.147  -2.639   3.191
  131   HG21  VAL  18          HG21      VAL  18  -1.638  -3.919   3.155
  132   HG22  VAL  18          HG22      VAL  18  -0.570  -3.743   4.548
  133   HG23  VAL  18          HG23      VAL  18  -1.181  -5.335   4.101
  134    H    CYS  19           HN       CYS  19   0.340  -4.049  -0.411
  135    HA   CYS  19           HA       CYS  19  -2.542  -3.664  -0.829
  136    HB2  CYS  19           HB2      CYS  19  -1.336  -1.646   0.070
  137    HB3  CYS  19           HB1      CYS  19  -0.382  -1.630  -1.408
  Start of MODEL   13
    1    H1   ILE   1           HT1      ILE   1  -8.372  -3.718   7.513
    2    H2   ILE   1           HT2      ILE   1  -9.900  -4.147   6.929
    3    H3   ILE   1           HT3      ILE   1  -9.616  -2.575   7.480
    4    HA   ILE   1           HA       ILE   1  -8.332  -3.835   5.141
    5    HB   ILE   1           HB       ILE   1  -9.611  -2.050   3.865
    6   HG12  ILE   1          HG12      ILE   1 -11.892  -1.581   5.065
    7   HG13  ILE   1          HG11      ILE   1 -10.970  -1.848   6.537
    8   HG21  ILE   1          HG21      ILE   1 -11.637  -3.427   3.713
    9   HG22  ILE   1          HG22      ILE   1 -11.146  -4.284   5.173
   10   HG23  ILE   1          HG23      ILE   1 -10.164  -4.396   3.714
   11   HD11  ILE   1          HD11      ILE   1 -10.418   0.240   4.443
   12   HD12  ILE   1          HD12      ILE   1  -9.440  -0.046   5.882
   13   HD13  ILE   1          HD13      ILE   1 -11.107   0.505   6.045
   14    H    ARG   2           HN       ARG   2  -7.005  -2.423   3.911
   15    HA   ARG   2           HA       ARG   2  -6.343   0.176   4.892
   16    HB2  ARG   2           HB2      ARG   2  -5.085  -1.442   6.407
   17    HB3  ARG   2           HB1      ARG   2  -4.158  -1.904   4.989
   18    HG2  ARG   2           HG2      ARG   2  -2.913  -0.306   6.278
   19    HG3  ARG   2           HG1      ARG   2  -3.404   0.431   4.752
   20    HD2  ARG   2           HD2      ARG   2  -3.726   2.002   6.563
   21    HD3  ARG   2           HD1      ARG   2  -5.286   1.519   5.908
   22    HE   ARG   2           HE       ARG   2  -4.569  -0.114   8.118
   23   HH11  ARG   2          HH11      ARG   2  -5.801   3.068   7.292
   24   HH12  ARG   2          HH12      ARG   2  -6.583   3.291   8.828
   25   HH21  ARG   2          HH21      ARG   2  -5.606   0.185  10.127
   26   HH22  ARG   2          HH22      ARG   2  -6.468   1.658  10.441
   27    H    ASP   3           HN       ASP   3  -7.383  -0.478   2.528
   28    HA   ASP   3           HA       ASP   3  -5.420  -1.081   0.536
   29    HB2  ASP   3           HB2      ASP   3  -7.172  -0.946  -1.050
   30    HB3  ASP   3           HB1      ASP   3  -7.928  -1.593   0.400
   31    H    GLU   4           HN       GLU   4  -5.971   1.537   2.303
   32    HA   GLU   4           HA       GLU   4  -5.720   3.660   0.414
   33    HB2  GLU   4           HB2      GLU   4  -5.329   5.069   2.385
   34    HB3  GLU   4           HB1      GLU   4  -6.711   4.009   2.633
   35    HG2  GLU   4           HG2      GLU   4  -5.367   2.515   3.977
   36    HG3  GLU   4           HG1      GLU   4  -3.933   3.490   3.669
   37    H    CYS   5           HN       CYS   5  -3.523   1.484   1.902
   38    HA   CYS   5           HA       CYS   5  -1.291   3.166   2.176
   39    HB2  CYS   5           HB2      CYS   5  -1.882   0.321   2.445
   40    HB3  CYS   5           HB1      CYS   5  -0.237   0.649   1.921
   41    H    CYS   6           HN       CYS   6  -2.650   1.764  -0.617
   42    HA   CYS   6           HA       CYS   6  -0.320   1.628  -2.229
   43    HB2  CYS   6           HB2      CYS   6  -2.438   0.537  -2.838
   44    HB3  CYS   6           HB1      CYS   6  -3.203   2.116  -2.984
   45    H    SER   7           HN       SER   7  -2.617   4.211  -1.475
   46    HA   SER   7           HA       SER   7  -1.336   6.075  -3.281
   47    HB2  SER   7           HB2      SER   7  -3.800   6.118  -2.775
   48    HB3  SER   7           HB1      SER   7  -3.405   6.633  -1.136
   49    HG   SER   7           HG       SER   7  -2.291   8.087  -3.238
   50    H    ASN   8           HN       ASN   8  -0.335   4.733  -0.593
   51    HA   ASN   8           HA       ASN   8   0.940   7.155   0.505
   52    HB2  ASN   8           HB2      ASN   8   0.157   4.554   1.794
   53    HB3  ASN   8           HB1      ASN   8   1.270   5.679   2.556
   54   HD21  ASN   8          HD21      ASN   8  -1.999   5.317   1.325
   55   HD22  ASN   8          HD22      ASN   8  -2.707   6.546   2.329
   56    HA   PRO   9           HA       PRO   9   4.277   5.069  -1.575
   57    HB2  PRO   9           HB2      PRO   9   6.201   6.941  -1.019
   58    HB3  PRO   9           HB1      PRO   9   5.027   7.099  -2.327
   59    HG2  PRO   9           HG2      PRO   9   4.962   8.287   0.413
   60    HG3  PRO   9           HG1      PRO   9   4.575   9.040  -1.146
   61    HD2  PRO   9           HD2      PRO   9   2.659   8.164   0.507
   62    HD3  PRO   9           HD1      PRO   9   2.487   8.043  -1.252
   63    H    VAL  10           HN       VAL  10   4.084   5.982   1.740
   64    HA   VAL  10           HA       VAL  10   6.620   4.860   2.511
   65    HB   VAL  10           HB       VAL  10   4.223   5.498   4.252
   66   HG11  VAL  10          HG11      VAL  10   5.801   3.978   5.322
   67   HG12  VAL  10          HG12      VAL  10   5.847   5.569   6.080
   68   HG13  VAL  10          HG13      VAL  10   7.124   5.088   4.965
   69   HG21  VAL  10          HG21      VAL  10   6.632   7.178   3.566
   70   HG22  VAL  10          HG22      VAL  10   5.405   7.594   4.761
   71   HG23  VAL  10          HG23      VAL  10   4.973   7.476   3.056
   72    H    CYS  11           HN       CYS  11   3.325   3.743   2.201
   73    HA   CYS  11           HA       CYS  11   3.769   1.256   3.515
   74    HB2  CYS  11           HB2      CYS  11   1.590   2.166   1.639
   75    HB3  CYS  11           HB1      CYS  11   1.592   0.649   2.516
   76    H    ARG  12           HN       ARG  12   3.335   2.209   0.096
   77    HA   ARG  12           HA       ARG  12   3.671  -0.374  -0.895
   78    HB2  ARG  12           HB2      ARG  12   3.984   0.751  -3.114
   79    HB3  ARG  12           HB1      ARG  12   2.485   1.088  -2.260
   80    HG2  ARG  12           HG2      ARG  12   3.474   3.141  -1.424
   81    HG3  ARG  12           HG1      ARG  12   4.912   2.843  -2.403
   82    HD2  ARG  12           HD2      ARG  12   2.162   3.624  -3.230
   83    HD3  ARG  12           HD1      ARG  12   3.715   4.212  -3.819
   84    HE   ARG  12           HE       ARG  12   2.565   1.574  -4.512
   85   HH11  ARG  12          HH11      ARG  12   4.344   4.473  -5.431
   86   HH12  ARG  12          HH12      ARG  12   4.623   3.920  -7.052
   87   HH21  ARG  12          HH21      ARG  12   2.949   0.857  -6.609
   88   HH22  ARG  12          HH22      ARG  12   3.840   1.860  -7.722
   89    H    VAL  13           HN       VAL  13   5.994   1.863   0.108
   90    HA   VAL  13           HA       VAL  13   8.105   0.624  -1.416
   91    HB   VAL  13           HB       VAL  13   7.995   2.950   0.474
   92   HG11  VAL  13          HG11      VAL  13  10.145   1.809   0.771
   93   HG12  VAL  13          HG12      VAL  13  10.325   3.378  -0.008
   94   HG13  VAL  13          HG13      VAL  13  10.423   1.901  -0.967
   95   HG21  VAL  13          HG21      VAL  13   8.341   4.226  -1.510
   96   HG22  VAL  13          HG22      VAL  13   7.049   3.054  -1.833
   97   HG23  VAL  13          HG23      VAL  13   8.682   2.768  -2.447
   98    H    ASN  14           HN       ASN  14   6.949   0.679   1.939
   99    HA   ASN  14           HA       ASN  14   9.232  -0.843   2.831
  100    HB2  ASN  14           HB2      ASN  14   8.453  -0.642   4.987
  101    HB3  ASN  14           HB1      ASN  14   7.713   0.773   4.254
  102   HD21  ASN  14          HD21      ASN  14   5.502   0.827   3.966
  103   HD22  ASN  14          HD22      ASN  14   4.440  -0.315   4.718
  104    H    ASN  15           HN       ASN  15   5.959  -1.503   1.781
  105    HA   ASN  15           HA       ASN  15   6.177  -4.283   2.406
  106    HB2  ASN  15           HB2      ASN  15   3.934  -4.419   1.687
  107    HB3  ASN  15           HB1      ASN  15   4.051  -2.883   2.503
  108   HD21  ASN  15          HD21      ASN  15   2.238  -2.092   1.532
  109   HD22  ASN  15          HD22      ASN  15   2.168  -1.652  -0.139
  110    HA   HYP  16           HA       HYP  16   7.981  -5.674  -1.310
  111    HB2  HYP  16           HB1      HYP  16   7.809  -7.816  -0.716
  112    HB3  HYP  16           HB2      HYP  16   6.350  -7.906  -1.698
  113    HG   HYP  16           HG       HYP  16   5.106  -8.197   0.156
  114   HD22  HYP  16          HD22      HYP  16   4.658  -6.117   0.972
  115   HD23  HYP  16          HD23      HYP  16   6.115  -6.210   1.938
  116    HD1  HYP  16           HD1      HYP  16   6.800  -7.729   2.142
  117    H    HIS  17           HN       HIS  17   6.173  -3.665  -1.909
  118    HA   HIS  17           HA       HIS  17   5.068  -2.706  -3.634
  119    HB2  HIS  17           HB2      HIS  17   7.040  -3.654  -4.881
  120    HB3  HIS  17           HB1      HIS  17   6.039  -5.040  -5.295
  121    HD1  HIS  17           HD1      HIS  17   4.760  -4.845  -7.417
  122    HD2  HIS  17           HD2      HIS  17   5.903  -1.136  -5.933
  123    HE1  HIS  17           HE1      HIS  17   4.085  -3.177  -9.172
  124    HE2  HIS  17           HE2      HIS  17   4.963  -0.971  -8.336
  125    H    VAL  18           HN       VAL  18   3.351  -3.812  -2.072
  126    HA   VAL  18           HA       VAL  18   1.666  -5.776  -3.268
  127    HB   VAL  18           HB       VAL  18   1.016  -3.747  -1.117
  128   HG11  VAL  18          HG11      VAL  18  -0.441  -6.273  -1.896
  129   HG12  VAL  18          HG12      VAL  18  -1.008  -4.625  -2.165
  130   HG13  VAL  18          HG13      VAL  18  -0.830  -5.240  -0.522
  131   HG21  VAL  18          HG21      VAL  18   1.906  -6.621  -0.916
  132   HG22  VAL  18          HG22      VAL  18   1.401  -5.612   0.438
  133   HG23  VAL  18          HG23      VAL  18   2.851  -5.200  -0.476
  134    H    CYS  19           HN       CYS  19   1.829  -2.280  -3.373
  135    HA   CYS  19           HA       CYS  19   0.225  -2.296  -5.770
  136    HB2  CYS  19           HB2      CYS  19  -1.418  -2.014  -3.875
  137    HB3  CYS  19           HB1      CYS  19  -0.603  -0.508  -3.469
  Start of MODEL   14
    1    H1   ILE   1           HT1      ILE   1  -6.602  -8.010   0.748
    2    H2   ILE   1           HT2      ILE   1  -8.240  -7.907   1.149
    3    H3   ILE   1           HT3      ILE   1  -7.196  -8.838   2.097
    4    HA   ILE   1           HA       ILE   1  -7.742  -6.742   3.162
    5    HB   ILE   1           HB       ILE   1  -5.434  -5.948   3.582
    6   HG12  ILE   1          HG12      ILE   1  -4.656  -7.936   1.437
    7   HG13  ILE   1          HG11      ILE   1  -4.574  -6.186   1.278
    8   HG21  ILE   1          HG21      ILE   1  -5.743  -8.944   3.505
    9   HG22  ILE   1          HG22      ILE   1  -6.296  -7.870   4.788
   10   HG23  ILE   1          HG23      ILE   1  -4.570  -8.058   4.480
   11   HD11  ILE   1          HD11      ILE   1  -2.391  -7.143   1.732
   12   HD12  ILE   1          HD12      ILE   1  -3.000  -7.854   3.226
   13   HD13  ILE   1          HD13      ILE   1  -2.911  -6.101   3.054
   14    H    ARG   2           HN       ARG   2  -7.680  -4.476   3.141
   15    HA   ARG   2           HA       ARG   2  -8.089  -3.276   0.596
   16    HB2  ARG   2           HB2      ARG   2  -7.777  -1.999   3.320
   17    HB3  ARG   2           HB1      ARG   2  -8.336  -1.173   1.873
   18    HG2  ARG   2           HG2      ARG   2 -10.282  -2.681   1.792
   19    HG3  ARG   2           HG1      ARG   2  -9.731  -3.437   3.289
   20    HD2  ARG   2           HD2      ARG   2  -9.876  -1.270   4.424
   21    HD3  ARG   2           HD1      ARG   2 -10.442  -0.531   2.932
   22    HE   ARG   2           HE       ARG   2 -12.075  -2.730   3.796
   23   HH11  ARG   2          HH11      ARG   2 -11.449   0.689   4.171
   24   HH12  ARG   2          HH12      ARG   2 -13.061   1.061   4.692
   25   HH21  ARG   2          HH21      ARG   2 -14.207  -2.247   4.514
   26   HH22  ARG   2          HH22      ARG   2 -14.625  -0.608   4.903
   27    H    ASP   3           HN       ASP   3  -6.673  -2.207  -0.668
   28    HA   ASP   3           HA       ASP   3  -3.898  -2.160   0.265
   29    HB2  ASP   3           HB2      ASP   3  -3.295  -2.043  -2.102
   30    HB3  ASP   3           HB1      ASP   3  -4.264  -3.459  -1.736
   31    H    GLU   4           HN       GLU   4  -5.505  -0.137   1.184
   32    HA   GLU   4           HA       GLU   4  -5.481   2.220  -0.342
   33    HB2  GLU   4           HB2      GLU   4  -5.791   3.421   1.788
   34    HB3  GLU   4           HB1      GLU   4  -6.879   2.052   1.629
   35    HG2  GLU   4           HG2      GLU   4  -5.657   0.774   3.191
   36    HG3  GLU   4           HG1      GLU   4  -4.300   1.901   3.157
   37    H    CYS   5           HN       CYS   5  -2.969   0.576   1.320
   38    HA   CYS   5           HA       CYS   5  -1.150   2.639   1.776
   39    HB2  CYS   5           HB2      CYS   5  -0.919  -0.306   1.318
   40    HB3  CYS   5           HB1      CYS   5   0.526   0.679   1.399
   41    H    CYS   6           HN       CYS   6  -2.365   1.550  -1.173
   42    HA   CYS   6           HA       CYS   6  -0.074   1.948  -2.808
   43    HB2  CYS   6           HB2      CYS   6  -2.184   0.752  -3.486
   44    HB3  CYS   6           HB1      CYS   6  -2.973   2.326  -3.567
   45    H    SER   7           HN       SER   7  -2.541   4.053  -1.477
   46    HA   SER   7           HA       SER   7  -1.636   6.355  -2.993
   47    HB2  SER   7           HB2      SER   7  -3.614   6.213  -0.700
   48    HB3  SER   7           HB1      SER   7  -3.394   7.561  -1.816
   49    HG   SER   7           HG       SER   7  -3.838   5.681  -3.432
   50    H    ASN   8           HN       ASN   8  -0.420   4.669  -0.571
   51    HA   ASN   8           HA       ASN   8   0.753   6.985   0.821
   52    HB2  ASN   8           HB2      ASN   8   0.226   4.190   1.843
   53    HB3  ASN   8           HB1      ASN   8   1.093   5.432   2.741
   54   HD21  ASN   8          HD21      ASN   8  -1.967   4.571   1.321
   55   HD22  ASN   8          HD22      ASN   8  -2.952   5.548   2.359
   56    HA   PRO   9           HA       PRO   9   3.937   4.997  -1.772
   57    HB2  PRO   9           HB2      PRO   9   5.754   7.055  -1.449
   58    HB3  PRO   9           HB1      PRO   9   4.515   6.995  -2.702
   59    HG2  PRO   9           HG2      PRO   9   4.462   8.408  -0.070
   60    HG3  PRO   9           HG1      PRO   9   3.930   8.982  -1.663
   61    HD2  PRO   9           HD2      PRO   9   2.167   8.115   0.125
   62    HD3  PRO   9           HD1      PRO   9   1.966   7.731  -1.594
   63    H    VAL  10           HN       VAL  10   4.060   6.099   1.514
   64    HA   VAL  10           HA       VAL  10   6.734   5.063   1.975
   65    HB   VAL  10           HB       VAL  10   4.682   6.050   3.974
   66   HG11  VAL  10          HG11      VAL  10   6.572   6.229   5.524
   67   HG12  VAL  10          HG12      VAL  10   7.632   5.511   4.311
   68   HG13  VAL  10          HG13      VAL  10   6.317   4.563   5.006
   69   HG21  VAL  10          HG21      VAL  10   7.064   7.454   2.765
   70   HG22  VAL  10          HG22      VAL  10   6.006   8.103   4.015
   71   HG23  VAL  10          HG23      VAL  10   5.373   7.789   2.402
   72    H    CYS  11           HN       CYS  11   3.426   4.032   2.380
   73    HA   CYS  11           HA       CYS  11   4.102   1.751   3.978
   74    HB2  CYS  11           HB2      CYS  11   1.859   2.850   4.050
   75    HB3  CYS  11           HB1      CYS  11   1.558   2.258   2.421
   76    H    ARG  12           HN       ARG  12   3.756   2.427   0.542
   77    HA   ARG  12           HA       ARG  12   3.703  -0.352  -0.084
   78    HB2  ARG  12           HB2      ARG  12   3.738   0.409  -2.475
   79    HB3  ARG  12           HB1      ARG  12   2.359   0.917  -1.510
   80    HG2  ARG  12           HG2      ARG  12   3.534   3.036  -1.110
   81    HG3  ARG  12           HG1      ARG  12   4.754   2.538  -2.281
   82    HD2  ARG  12           HD2      ARG  12   1.829   3.056  -2.743
   83    HD3  ARG  12           HD1      ARG  12   3.198   3.916  -3.444
   84    HE   ARG  12           HE       ARG  12   2.855   1.070  -4.074
   85   HH11  ARG  12          HH11      ARG  12   2.777   4.413  -5.125
   86   HH12  ARG  12          HH12      ARG  12   2.679   4.004  -6.807
   87   HH21  ARG  12          HH21      ARG  12   2.720   0.544  -6.270
   88   HH22  ARG  12          HH22      ARG  12   2.649   1.809  -7.462
   89    H    VAL  13           HN       VAL  13   6.176   1.982   0.194
   90    HA   VAL  13           HA       VAL  13   8.087   0.644  -1.409
   91    HB   VAL  13           HB       VAL  13   9.733   2.016  -0.127
   92   HG11  VAL  13          HG11      VAL  13   8.741   2.829  -2.190
   93   HG12  VAL  13          HG12      VAL  13   8.986   4.151  -1.050
   94   HG13  VAL  13          HG13      VAL  13   7.376   3.472  -1.279
   95   HG21  VAL  13          HG21      VAL  13   8.741   2.217   1.991
   96   HG22  VAL  13          HG22      VAL  13   7.237   2.830   1.306
   97   HG23  VAL  13          HG23      VAL  13   8.694   3.834   1.287
   98    H    ASN  14           HN       ASN  14   7.201   0.439   2.025
   99    HA   ASN  14           HA       ASN  14   9.366  -1.445   2.515
  100    HB2  ASN  14           HB2      ASN  14   8.693  -1.449   4.804
  101    HB3  ASN  14           HB1      ASN  14   8.609   0.220   4.253
  102   HD21  ASN  14          HD21      ASN  14   6.624   1.226   4.101
  103   HD22  ASN  14          HD22      ASN  14   5.178   0.525   4.733
  104    H    ASN  15           HN       ASN  15   6.297  -1.584   1.263
  105    HA   ASN  15           HA       ASN  15   6.153  -4.472   1.712
  106    HB2  ASN  15           HB2      ASN  15   4.566  -3.383   3.264
  107    HB3  ASN  15           HB1      ASN  15   3.842  -2.548   1.899
  108   HD21  ASN  15          HD21      ASN  15   1.840  -3.433   2.352
  109   HD22  ASN  15          HD22      ASN  15   1.466  -5.081   1.994
  110    HA   HYP  16           HA       HYP  16   5.974  -3.099  -2.677
  111    HB2  HYP  16           HB1      HYP  16   8.126  -3.463  -3.143
  112    HB3  HYP  16           HB2      HYP  16   7.803  -5.190  -3.288
  113    HG   HYP  16           HG       HYP  16   9.214  -5.375  -1.499
  114   HD22  HYP  16          HD22      HYP  16   7.304  -5.907  -0.277
  115   HD23  HYP  16          HD23      HYP  16   7.773  -4.471   0.610
  116    HD1  HYP  16           HD1      HYP  16   8.680  -3.104  -0.142
  117    H    HIS  17           HN       HIS  17   4.018  -4.999  -1.545
  118    HA   HIS  17           HA       HIS  17   3.426  -6.279  -4.087
  119    HB2  HIS  17           HB2      HIS  17   4.633  -7.921  -2.480
  120    HB3  HIS  17           HB1      HIS  17   3.107  -7.941  -1.603
  121    HD1  HIS  17           HD1      HIS  17   1.674  -9.837  -2.277
  122    HD2  HIS  17           HD2      HIS  17   4.035  -8.493  -5.422
  123    HE1  HIS  17           HE1      HIS  17   1.125 -11.335  -4.222
  124    HE2  HIS  17           HE2      HIS  17   2.691 -10.606  -6.057
  125    H    VAL  18           HN       VAL  18   2.474  -4.164  -1.993
  126    HA   VAL  18           HA       VAL  18  -0.297  -5.061  -1.752
  127    HB   VAL  18           HB       VAL  18   0.773  -3.976   0.210
  128   HG11  VAL  18          HG11      VAL  18   1.102  -1.537   0.208
  129   HG12  VAL  18          HG12      VAL  18   0.808  -1.518  -1.530
  130   HG13  VAL  18          HG13      VAL  18   2.205  -2.374  -0.881
  131   HG21  VAL  18          HG21      VAL  18  -1.645  -3.953  -0.023
  132   HG22  VAL  18          HG22      VAL  18  -1.555  -2.456  -0.948
  133   HG23  VAL  18          HG23      VAL  18  -1.077  -2.472   0.748
  134    H    CYS  19           HN       CYS  19   1.728  -2.829  -3.479
  135    HA   CYS  19           HA       CYS  19  -0.056  -2.573  -5.634
  136    HB2  CYS  19           HB2      CYS  19  -1.160  -1.044  -3.913
  137    HB3  CYS  19           HB1      CYS  19   0.254  -0.005  -4.066
  Start of MODEL   15
    1    H1   ILE   1           HT1      ILE   1  -7.605  -4.378   6.827
    2    H2   ILE   1           HT2      ILE   1  -6.729  -5.791   6.531
    3    H3   ILE   1           HT3      ILE   1  -7.584  -5.049   5.276
    4    HA   ILE   1           HA       ILE   1  -5.284  -3.871   6.711
    5    HB   ILE   1           HB       ILE   1  -4.079  -4.137   4.566
    6   HG12  ILE   1          HG12      ILE   1  -6.436  -5.864   3.765
    7   HG13  ILE   1          HG11      ILE   1  -6.069  -4.279   3.096
    8   HG21  ILE   1          HG21      ILE   1  -5.103  -6.703   5.775
    9   HG22  ILE   1          HG22      ILE   1  -3.735  -5.747   6.345
   10   HG23  ILE   1          HG23      ILE   1  -3.659  -6.547   4.776
   11   HD11  ILE   1          HD11      ILE   1  -3.978  -5.143   2.194
   12   HD12  ILE   1          HD12      ILE   1  -5.364  -6.061   1.606
   13   HD13  ILE   1          HD13      ILE   1  -4.337  -6.730   2.874
   14    H    ARG   2           HN       ARG   2  -4.654  -1.822   5.956
   15    HA   ARG   2           HA       ARG   2  -6.798  -0.242   4.902
   16    HB2  ARG   2           HB2      ARG   2  -5.287   0.582   6.700
   17    HB3  ARG   2           HB1      ARG   2  -3.965   0.589   5.542
   18    HG2  ARG   2           HG2      ARG   2  -5.153   2.236   4.189
   19    HG3  ARG   2           HG1      ARG   2  -6.482   2.228   5.349
   20    HD2  ARG   2           HD2      ARG   2  -4.931   3.006   7.095
   21    HD3  ARG   2           HD1      ARG   2  -3.637   3.063   5.896
   22    HE   ARG   2           HE       ARG   2  -6.000   4.613   5.241
   23   HH11  ARG   2          HH11      ARG   2  -2.848   4.619   6.778
   24   HH12  ARG   2          HH12      ARG   2  -2.629   6.333   6.620
   25   HH21  ARG   2          HH21      ARG   2  -5.713   6.869   5.037
   26   HH22  ARG   2          HH22      ARG   2  -4.267   7.617   5.634
   27    H    ASP   3           HN       ASP   3  -7.174  -0.672   2.794
   28    HA   ASP   3           HA       ASP   3  -5.065  -1.184   0.941
   29    HB2  ASP   3           HB2      ASP   3  -6.824  -1.312  -0.758
   30    HB3  ASP   3           HB1      ASP   3  -7.251  -2.254   0.664
   31    H    GLU   4           HN       GLU   4  -5.991   1.566   2.285
   32    HA   GLU   4           HA       GLU   4  -5.902   3.365   0.058
   33    HB2  GLU   4           HB2      GLU   4  -5.385   3.945   2.976
   34    HB3  GLU   4           HB1      GLU   4  -5.713   5.132   1.724
   35    HG2  GLU   4           HG2      GLU   4  -7.954   4.182   1.437
   36    HG3  GLU   4           HG1      GLU   4  -7.618   3.040   2.741
   37    H    CYS   5           HN       CYS   5  -3.603   1.554   1.726
   38    HA   CYS   5           HA       CYS   5  -1.447   3.333   1.856
   39    HB2  CYS   5           HB2      CYS   5  -1.835   0.423   2.107
   40    HB3  CYS   5           HB1      CYS   5  -0.210   0.955   1.717
   41    H    CYS   6           HN       CYS   6  -2.887   1.983  -0.890
   42    HA   CYS   6           HA       CYS   6  -0.670   1.822  -2.617
   43    HB2  CYS   6           HB2      CYS   6  -3.433   2.794  -3.337
   44    HB3  CYS   6           HB1      CYS   6  -2.266   2.022  -4.392
   45    H    SER   7           HN       SER   7  -2.682   4.466  -1.473
   46    HA   SER   7           HA       SER   7  -1.379   6.423  -3.176
   47    HB2  SER   7           HB2      SER   7  -3.432   6.840  -0.985
   48    HB3  SER   7           HB1      SER   7  -2.975   7.998  -2.235
   49    HG   SER   7           HG       SER   7  -3.949   6.750  -3.766
   50    H    ASN   8           HN       ASN   8  -0.378   4.828  -0.656
   51    HA   ASN   8           HA       ASN   8   0.979   7.114   0.621
   52    HB2  ASN   8           HB2      ASN   8   0.127   4.467   1.789
   53    HB3  ASN   8           HB1      ASN   8   1.203   5.584   2.612
   54   HD21  ASN   8          HD21      ASN   8  -2.029   5.201   1.317
   55   HD22  ASN   8          HD22      ASN   8  -2.785   6.367   2.351
   56    HA   PRO   9           HA       PRO   9   4.146   4.763  -1.676
   57    HB2  PRO   9           HB2      PRO   9   5.658   7.158  -0.740
   58    HB3  PRO   9           HB1      PRO   9   5.665   6.381  -2.327
   59    HG2  PRO   9           HG2      PRO   9   4.342   8.648  -1.955
   60    HG3  PRO   9           HG1      PRO   9   3.638   7.351  -2.942
   61    HD2  PRO   9           HD2      PRO   9   2.990   8.163  -0.141
   62    HD3  PRO   9           HD1      PRO   9   1.912   7.614  -1.433
   63    H    VAL  10           HN       VAL  10   4.059   5.992   1.587
   64    HA   VAL  10           HA       VAL  10   6.528   4.902   2.464
   65    HB   VAL  10           HB       VAL  10   5.249   6.597   3.728
   66   HG11  VAL  10          HG11      VAL  10   3.410   4.347   4.462
   67   HG12  VAL  10          HG12      VAL  10   3.008   5.745   3.472
   68   HG13  VAL  10          HG13      VAL  10   3.402   5.958   5.174
   69   HG21  VAL  10          HG21      VAL  10   7.011   5.381   4.842
   70   HG22  VAL  10          HG22      VAL  10   5.885   4.086   5.252
   71   HG23  VAL  10          HG23      VAL  10   5.690   5.685   5.970
   72    H    CYS  11           HN       CYS  11   3.226   3.672   2.550
   73    HA   CYS  11           HA       CYS  11   3.726   1.202   3.745
   74    HB2  CYS  11           HB2      CYS  11   1.617   1.925   1.708
   75    HB3  CYS  11           HB1      CYS  11   1.594   0.518   2.748
   76    H    ARG  12           HN       ARG  12   3.422   2.041   0.309
   77    HA   ARG  12           HA       ARG  12   3.810  -0.615  -0.528
   78    HB2  ARG  12           HB2      ARG  12   3.977   0.446  -2.849
   79    HB3  ARG  12           HB1      ARG  12   2.451   0.500  -1.978
   80    HG2  ARG  12           HG2      ARG  12   3.095   2.749  -1.178
   81    HG3  ARG  12           HG1      ARG  12   4.460   2.697  -2.290
   82    HD2  ARG  12           HD2      ARG  12   1.525   2.595  -2.951
   83    HD3  ARG  12           HD1      ARG  12   2.664   3.878  -3.351
   84    HE   ARG  12           HE       ARG  12   3.647   1.588  -4.531
   85   HH11  ARG  12          HH11      ARG  12   0.743   3.527  -4.738
   86   HH12  ARG  12          HH12      ARG  12   0.435   3.115  -6.395
   87   HH21  ARG  12          HH21      ARG  12   3.243   1.033  -6.710
   88   HH22  ARG  12          HH22      ARG  12   1.853   1.688  -7.517
   89    H    VAL  13           HN       VAL  13   6.035   1.764   0.274
   90    HA   VAL  13           HA       VAL  13   8.091   0.647  -1.413
   91    HB   VAL  13           HB       VAL  13   7.974   2.965   0.478
   92   HG11  VAL  13          HG11      VAL  13  10.412   1.980  -0.994
   93   HG12  VAL  13          HG12      VAL  13  10.177   1.934   0.753
   94   HG13  VAL  13          HG13      VAL  13  10.279   3.483  -0.082
   95   HG21  VAL  13          HG21      VAL  13   8.211   4.225  -1.529
   96   HG22  VAL  13          HG22      VAL  13   6.979   2.979  -1.815
   97   HG23  VAL  13          HG23      VAL  13   8.615   2.776  -2.455
   98    H    ASN  14           HN       ASN  14   7.325   0.736   2.081
   99    HA   ASN  14           HA       ASN  14   9.607  -0.937   2.662
  100    HB2  ASN  14           HB2      ASN  14   8.953  -0.936   4.912
  101    HB3  ASN  14           HB1      ASN  14   8.502   0.665   4.341
  102   HD21  ASN  14          HD21      ASN  14   6.322   1.199   4.197
  103   HD22  ASN  14          HD22      ASN  14   5.086   0.225   4.918
  104    H    ASN  15           HN       ASN  15   6.358  -1.364   1.696
  105    HA   ASN  15           HA       ASN  15   6.675  -4.257   1.785
  106    HB2  ASN  15           HB2      ASN  15   5.329  -3.373   3.785
  107    HB3  ASN  15           HB1      ASN  15   4.117  -2.916   2.599
  108   HD21  ASN  15          HD21      ASN  15   4.821  -5.377   0.983
  109   HD22  ASN  15          HD22      ASN  15   4.027  -6.668   1.808
  110    HA   HYP  16           HA       HYP  16   5.239  -2.696  -2.279
  111    HB2  HYP  16           HB1      HYP  16   7.101  -3.132  -3.444
  112    HB3  HYP  16           HB2      HYP  16   6.791  -4.866  -3.363
  113    HG   HYP  16           HG       HYP  16   8.743  -4.839  -2.124
  114   HD22  HYP  16          HD22      HYP  16   7.243  -5.524  -0.454
  115   HD23  HYP  16          HD23      HYP  16   7.899  -4.092   0.315
  116    HD1  HYP  16           HD1      HYP  16   8.332  -2.581  -0.667
  117    H    HIS  17           HN       HIS  17   3.622  -4.353  -0.678
  118    HA   HIS  17           HA       HIS  17   1.991  -5.549  -2.664
  119    HB2  HIS  17           HB2      HIS  17   3.694  -7.370  -2.310
  120    HB3  HIS  17           HB1      HIS  17   3.195  -7.445  -0.626
  121    HD1  HIS  17           HD1      HIS  17   1.497  -9.171  -0.147
  122    HD2  HIS  17           HD2      HIS  17   1.335  -7.909  -4.103
  123    HE1  HIS  17           HE1      HIS  17  -0.248 -10.608  -1.245
  124    HE2  HIS  17           HE2      HIS  17  -0.215  -9.931  -3.668
  125    H    VAL  18           HN       VAL  18   1.996  -3.537  -0.587
  126    HA   VAL  18           HA       VAL  18   0.616  -4.511   1.714
  127    HB   VAL  18           HB       VAL  18   2.030  -2.497   1.794
  128   HG11  VAL  18          HG11      VAL  18  -0.133  -1.193   0.148
  129   HG12  VAL  18          HG12      VAL  18   1.501  -1.566  -0.396
  130   HG13  VAL  18          HG13      VAL  18   1.247  -0.378   0.880
  131   HG21  VAL  18          HG21      VAL  18   0.315  -2.825   3.489
  132   HG22  VAL  18          HG22      VAL  18  -0.857  -1.970   2.485
  133   HG23  VAL  18          HG23      VAL  18   0.535  -1.112   3.143
  134    H    CYS  19           HN       CYS  19  -0.320  -3.219  -1.384
  135    HA   CYS  19           HA       CYS  19  -3.029  -4.087  -0.807
  136    HB2  CYS  19           HB2      CYS  19  -3.983  -2.054  -1.893
  137    HB3  CYS  19           HB1      CYS  19  -3.206  -1.744  -0.347
  Start of MODEL   16
    1    H1   ILE   1           HT1      ILE   1 -10.400  -5.728   0.442
    2    H2   ILE   1           HT2      ILE   1 -11.911  -6.354   0.020
    3    H3   ILE   1           HT3      ILE   1 -11.787  -4.782   0.624
    4    HA   ILE   1           HA       ILE   1 -10.634  -5.723  -1.931
    5    HB   ILE   1           HB       ILE   1 -13.029  -3.943  -1.432
    6   HG12  ILE   1          HG12      ILE   1 -13.528  -6.324  -1.075
    7   HG13  ILE   1          HG11      ILE   1 -14.333  -5.714  -2.515
    8   HG21  ILE   1          HG21      ILE   1 -11.775  -4.833  -4.025
    9   HG22  ILE   1          HG22      ILE   1 -11.754  -3.202  -3.358
   10   HG23  ILE   1          HG23      ILE   1 -13.279  -3.924  -3.870
   11   HD11  ILE   1          HD11      ILE   1 -13.433  -7.927  -2.895
   12   HD12  ILE   1          HD12      ILE   1 -11.821  -7.367  -2.454
   13   HD13  ILE   1          HD13      ILE   1 -12.604  -6.742  -3.904
   14    H    ARG   2           HN       ARG   2  -9.046  -4.493  -2.639
   15    HA   ARG   2           HA       ARG   2  -7.569  -2.821  -2.949
   16    HB2  ARG   2           HB2      ARG   2  -9.904  -1.184  -2.029
   17    HB3  ARG   2           HB1      ARG   2  -8.375  -0.455  -2.488
   18    HG2  ARG   2           HG2      ARG   2  -8.639  -1.558  -4.723
   19    HG3  ARG   2           HG1      ARG   2 -10.272  -2.012  -4.223
   20    HD2  ARG   2           HD2      ARG   2  -9.156   0.779  -4.463
   21    HD3  ARG   2           HD1      ARG   2 -10.376   0.036  -5.497
   22    HE   ARG   2           HE       ARG   2 -11.772  -0.062  -3.397
   23   HH11  ARG   2          HH11      ARG   2  -9.331   2.412  -3.884
   24   HH12  ARG   2          HH12      ARG   2 -10.103   3.547  -2.824
   25   HH21  ARG   2          HH21      ARG   2 -12.776   1.441  -2.000
   26   HH22  ARG   2          HH22      ARG   2 -12.056   3.006  -1.768
   27    H    ASP   3           HN       ASP   3  -6.417  -0.970  -1.809
   28    HA   ASP   3           HA       ASP   3  -6.566  -1.018   1.087
   29    HB2  ASP   3           HB2      ASP   3  -4.912  -2.819   0.308
   30    HB3  ASP   3           HB1      ASP   3  -3.910  -1.492  -0.271
   31    H    GLU   4           HN       GLU   4  -6.345   1.000   1.800
   32    HA   GLU   4           HA       GLU   4  -6.010   3.124  -0.047
   33    HB2  GLU   4           HB2      GLU   4  -6.151   3.149   2.967
   34    HB3  GLU   4           HB1      GLU   4  -6.181   4.590   1.959
   35    HG2  GLU   4           HG2      GLU   4  -8.198   2.359   1.848
   36    HG3  GLU   4           HG1      GLU   4  -8.415   3.886   2.700
   37    H    CYS   5           HN       CYS   5  -3.760   1.317   1.787
   38    HA   CYS   5           HA       CYS   5  -1.736   3.278   2.083
   39    HB2  CYS   5           HB2      CYS   5  -2.011   0.424   2.489
   40    HB3  CYS   5           HB1      CYS   5  -0.449   0.816   1.782
   41    H    CYS   6           HN       CYS   6  -3.018   1.815  -0.649
   42    HA   CYS   6           HA       CYS   6  -0.787   1.688  -2.361
   43    HB2  CYS   6           HB2      CYS   6  -3.091   0.761  -2.795
   44    HB3  CYS   6           HB1      CYS   6  -3.622   2.410  -3.108
   45    H    SER   7           HN       SER   7  -2.813   4.323  -1.265
   46    HA   SER   7           HA       SER   7  -1.651   6.209  -3.147
   47    HB2  SER   7           HB2      SER   7  -4.082   6.267  -2.506
   48    HB3  SER   7           HB1      SER   7  -3.593   6.719  -0.875
   49    HG   SER   7           HG       SER   7  -2.400   8.319  -2.683
   50    H    ASN   8           HN       ASN   8  -0.203   4.792  -0.876
   51    HA   ASN   8           HA       ASN   8   0.997   7.170   0.372
   52    HB2  ASN   8           HB2      ASN   8   0.238   4.571   1.690
   53    HB3  ASN   8           HB1      ASN   8   1.283   5.766   2.437
   54   HD21  ASN   8          HD21      ASN   8  -1.949   5.125   1.286
   55   HD22  ASN   8          HD22      ASN   8  -2.731   6.353   2.220
   56    HA   PRO   9           HA       PRO   9   4.331   4.969  -1.711
   57    HB2  PRO   9           HB2      PRO   9   5.839   7.250  -0.542
   58    HB3  PRO   9           HB1      PRO   9   5.850   6.637  -2.198
   59    HG2  PRO   9           HG2      PRO   9   4.580   8.890  -1.601
   60    HG3  PRO   9           HG1      PRO   9   3.868   7.728  -2.740
   61    HD2  PRO   9           HD2      PRO   9   3.189   8.225   0.134
   62    HD3  PRO   9           HD1      PRO   9   2.118   7.893  -1.239
   63    H    VAL  10           HN       VAL  10   4.078   6.005   1.584
   64    HA   VAL  10           HA       VAL  10   6.531   4.910   2.554
   65    HB   VAL  10           HB       VAL  10   3.981   5.515   4.073
   66   HG11  VAL  10          HG11      VAL  10   5.439   5.673   6.039
   67   HG12  VAL  10          HG12      VAL  10   6.808   5.160   5.055
   68   HG13  VAL  10          HG13      VAL  10   5.461   4.058   5.332
   69   HG21  VAL  10          HG21      VAL  10   4.975   7.655   4.603
   70   HG22  VAL  10          HG22      VAL  10   4.868   7.461   2.855
   71   HG23  VAL  10          HG23      VAL  10   6.413   7.248   3.674
   72    H    CYS  11           HN       CYS  11   3.276   3.706   2.144
   73    HA   CYS  11           HA       CYS  11   3.686   1.265   3.526
   74    HB2  CYS  11           HB2      CYS  11   1.682   1.969   1.385
   75    HB3  CYS  11           HB1      CYS  11   1.566   0.638   2.529
   76    H    ARG  12           HN       ARG  12   3.825   2.343   0.182
   77    HA   ARG  12           HA       ARG  12   4.069  -0.203  -0.965
   78    HB2  ARG  12           HB2      ARG  12   4.955   2.387  -2.165
   79    HB3  ARG  12           HB1      ARG  12   4.319   0.983  -3.008
   80    HG2  ARG  12           HG2      ARG  12   2.216   1.356  -1.743
   81    HG3  ARG  12           HG1      ARG  12   2.891   2.902  -1.243
   82    HD2  ARG  12           HD2      ARG  12   1.712   3.440  -3.097
   83    HD3  ARG  12           HD1      ARG  12   3.327   3.275  -3.731
   84    HE   ARG  12           HE       ARG  12   2.197   0.805  -4.047
   85   HH11  ARG  12          HH11      ARG  12   1.363   4.039  -5.092
   86   HH12  ARG  12          HH12      ARG  12   0.614   3.507  -6.563
   87   HH21  ARG  12          HH21      ARG  12   1.205   0.090  -5.975
   88   HH22  ARG  12          HH22      ARG  12   0.539   1.264  -7.073
   89    H    VAL  13           HN       VAL  13   6.440   2.182  -0.084
   90    HA   VAL  13           HA       VAL  13   8.678   0.928  -1.188
   91    HB   VAL  13           HB       VAL  13   9.948   2.252   0.514
   92   HG11  VAL  13          HG11      VAL  13   9.330   4.429  -0.434
   93   HG12  VAL  13          HG12      VAL  13   7.866   3.703  -1.097
   94   HG13  VAL  13          HG13      VAL  13   9.450   3.175  -1.669
   95   HG21  VAL  13          HG21      VAL  13   8.512   3.964   1.729
   96   HG22  VAL  13          HG22      VAL  13   8.526   2.318   2.363
   97   HG23  VAL  13          HG23      VAL  13   7.159   2.873   1.393
   98    H    ASN  14           HN       ASN  14   7.132   0.496   1.994
   99    HA   ASN  14           HA       ASN  14   9.315  -1.221   2.837
  100    HB2  ASN  14           HB2      ASN  14   8.572  -0.998   4.987
  101    HB3  ASN  14           HB1      ASN  14   7.902   0.476   4.302
  102   HD21  ASN  14          HD21      ASN  14   5.663   0.611   3.973
  103   HD22  ASN  14          HD22      ASN  14   4.563  -0.498   4.720
  104    H    ASN  15           HN       ASN  15   5.958  -1.558   1.831
  105    HA   ASN  15           HA       ASN  15   5.980  -4.400   2.352
  106    HB2  ASN  15           HB2      ASN  15   3.972  -2.369   1.484
  107    HB3  ASN  15           HB1      ASN  15   3.712  -4.042   1.012
  108   HD21  ASN  15          HD21      ASN  15   3.046  -5.501   2.498
  109   HD22  ASN  15          HD22      ASN  15   2.666  -5.099   4.134
  110    HA   HYP  16           HA       HYP  16   7.556  -5.596  -1.523
  111    HB2  HYP  16           HB1      HYP  16   7.880  -7.648  -0.670
  112    HB3  HYP  16           HB2      HYP  16   6.372  -8.092  -1.469
  113    HG   HYP  16           HG       HYP  16   5.275  -8.243   0.503
  114   HD22  HYP  16          HD22      HYP  16   4.952  -6.243   1.555
  115   HD23  HYP  16          HD23      HYP  16   6.652  -6.158   1.998
  116    HD1  HYP  16           HD1      HYP  16   7.135  -7.795   2.295
  117    H    HIS  17           HN       HIS  17   4.125  -6.066  -0.936
  118    HA   HIS  17           HA       HIS  17   3.485  -5.114  -3.558
  119    HB2  HIS  17           HB2      HIS  17   2.151  -7.162  -4.196
  120    HB3  HIS  17           HB1      HIS  17   3.896  -7.338  -4.285
  121    HD1  HIS  17           HD1      HIS  17   4.928  -9.197  -2.956
  122    HD2  HIS  17           HD2      HIS  17   0.943  -8.557  -1.968
  123    HE1  HIS  17           HE1      HIS  17   4.288 -11.107  -1.455
  124    HE2  HIS  17           HE2      HIS  17   1.828 -10.797  -1.024
  125    H    VAL  18           HN       VAL  18   2.788  -3.856  -1.387
  126    HA   VAL  18           HA       VAL  18   0.269  -4.660  -0.313
  127    HB   VAL  18           HB       VAL  18   1.766  -3.115   0.898
  128   HG11  VAL  18          HG11      VAL  18   2.596  -1.792  -0.952
  129   HG12  VAL  18          HG12      VAL  18   1.865  -0.747   0.265
  130   HG13  VAL  18          HG13      VAL  18   0.990  -1.117  -1.219
  131   HG21  VAL  18          HG21      VAL  18  -0.576  -3.191   1.504
  132   HG22  VAL  18          HG22      VAL  18  -0.957  -1.984   0.276
  133   HG23  VAL  18          HG23      VAL  18   0.037  -1.544   1.664
  134    H    CYS  19           HN       CYS  19   1.273  -2.872  -3.111
  135    HA   CYS  19           HA       CYS  19  -1.320  -3.139  -4.276
  136    HB2  CYS  19           HB2      CYS  19  -1.638  -1.071  -2.941
  137    HB3  CYS  19           HB1      CYS  19  -0.281  -0.336  -3.789
  Start of MODEL   17
    1    H1   ILE   1           HT1      ILE   1  -7.457  -2.632  -6.639
    2    H2   ILE   1           HT2      ILE   1  -7.526  -1.124  -5.882
    3    H3   ILE   1           HT3      ILE   1  -8.875  -2.137  -5.868
    4    HA   ILE   1           HA       ILE   1  -7.708  -3.748  -4.532
    5    HB   ILE   1           HB       ILE   1  -5.495  -1.681  -4.459
    6   HG12  ILE   1          HG12      ILE   1  -4.205  -3.828  -5.302
    7   HG13  ILE   1          HG11      ILE   1  -5.796  -4.288  -5.896
    8   HG21  ILE   1          HG21      ILE   1  -4.303  -3.302  -3.060
    9   HG22  ILE   1          HG22      ILE   1  -5.720  -4.350  -3.077
   10   HG23  ILE   1          HG23      ILE   1  -5.806  -2.766  -2.308
   11   HD11  ILE   1          HD11      ILE   1  -4.296  -1.779  -6.607
   12   HD12  ILE   1          HD12      ILE   1  -5.897  -2.220  -7.197
   13   HD13  ILE   1          HD13      ILE   1  -4.499  -3.204  -7.626
   14    H    ARG   2           HN       ARG   2  -8.533  -3.678  -2.515
   15    HA   ARG   2           HA       ARG   2  -9.596  -1.186  -1.560
   16    HB2  ARG   2           HB2      ARG   2  -9.737  -3.960  -0.379
   17    HB3  ARG   2           HB1      ARG   2 -10.612  -2.559   0.224
   18    HG2  ARG   2           HG2      ARG   2 -11.775  -2.395  -1.946
   19    HG3  ARG   2           HG1      ARG   2 -10.950  -3.865  -2.466
   20    HD2  ARG   2           HD2      ARG   2 -11.968  -5.083  -0.602
   21    HD3  ARG   2           HD1      ARG   2 -12.804  -3.612  -0.104
   22    HE   ARG   2           HE       ARG   2 -13.299  -4.508  -2.820
   23   HH11  ARG   2          HH11      ARG   2 -14.355  -4.461   0.512
   24   HH12  ARG   2          HH12      ARG   2 -15.998  -4.864   0.135
   25   HH21  ARG   2          HH21      ARG   2 -15.457  -5.062  -3.328
   26   HH22  ARG   2          HH22      ARG   2 -16.625  -5.210  -2.054
   27    H    ASP   3           HN       ASP   3  -7.207  -0.512  -1.454
   28    HA   ASP   3           HA       ASP   3  -6.426  -0.584   1.336
   29    HB2  ASP   3           HB2      ASP   3  -5.139  -2.448   0.467
   30    HB3  ASP   3           HB1      ASP   3  -4.577  -1.475  -0.890
   31    H    GLU   4           HN       GLU   4  -5.969   1.409   1.926
   32    HA   GLU   4           HA       GLU   4  -5.712   3.473  -0.077
   33    HB2  GLU   4           HB2      GLU   4  -5.722   3.675   2.937
   34    HB3  GLU   4           HB1      GLU   4  -5.846   5.024   1.814
   35    HG2  GLU   4           HG2      GLU   4  -7.952   4.118   0.966
   36    HG3  GLU   4           HG1      GLU   4  -7.829   2.781   2.107
   37    H    CYS   5           HN       CYS   5  -3.639   1.619   1.918
   38    HA   CYS   5           HA       CYS   5  -1.463   3.384   2.187
   39    HB2  CYS   5           HB2      CYS   5  -1.994   0.560   2.629
   40    HB3  CYS   5           HB1      CYS   5  -0.368   0.834   2.020
   41    H    CYS   6           HN       CYS   6  -2.692   1.651  -0.482
   42    HA   CYS   6           HA       CYS   6  -0.487   1.468  -2.175
   43    HB2  CYS   6           HB2      CYS   6  -2.672   0.483  -2.668
   44    HB3  CYS   6           HB1      CYS   6  -3.377   2.093  -2.802
   45    H    SER   7           HN       SER   7  -2.558   4.226  -1.415
   46    HA   SER   7           HA       SER   7  -1.262   5.922  -3.373
   47    HB2  SER   7           HB2      SER   7  -3.677   6.178  -2.830
   48    HB3  SER   7           HB1      SER   7  -3.241   6.640  -1.188
   49    HG   SER   7           HG       SER   7  -2.334   8.497  -1.946
   50    H    ASN   8           HN       ASN   8  -0.500   4.759  -0.399
   51    HA   ASN   8           HA       ASN   8   0.917   7.154   0.519
   52    HB2  ASN   8           HB2      ASN   8   0.235   4.531   1.815
   53    HB3  ASN   8           HB1      ASN   8   1.350   5.671   2.549
   54   HD21  ASN   8          HD21      ASN   8  -1.971   5.196   1.500
   55   HD22  ASN   8          HD22      ASN   8  -2.647   6.426   2.514
   56    HA   PRO   9           HA       PRO   9   4.351   5.220  -1.543
   57    HB2  PRO   9           HB2      PRO   9   6.200   7.151  -0.965
   58    HB3  PRO   9           HB1      PRO   9   5.012   7.293  -2.264
   59    HG2  PRO   9           HG2      PRO   9   4.914   8.419   0.505
   60    HG3  PRO   9           HG1      PRO   9   4.505   9.199  -1.036
   61    HD2  PRO   9           HD2      PRO   9   2.618   8.217   0.596
   62    HD3  PRO   9           HD1      PRO   9   2.449   8.144  -1.166
   63    H    VAL  10           HN       VAL  10   4.020   5.940   1.779
   64    HA   VAL  10           HA       VAL  10   6.568   4.896   2.590
   65    HB   VAL  10           HB       VAL  10   5.227   6.522   3.927
   66   HG11  VAL  10          HG11      VAL  10   3.529   4.145   4.596
   67   HG12  VAL  10          HG12      VAL  10   3.027   5.572   3.696
   68   HG13  VAL  10          HG13      VAL  10   3.462   5.713   5.398
   69   HG21  VAL  10          HG21      VAL  10   6.015   3.984   5.329
   70   HG22  VAL  10          HG22      VAL  10   5.790   5.550   6.107
   71   HG23  VAL  10          HG23      VAL  10   7.082   5.330   4.927
   72    H    CYS  11           HN       CYS  11   3.282   3.703   2.402
   73    HA   CYS  11           HA       CYS  11   3.776   1.172   3.531
   74    HB2  CYS  11           HB2      CYS  11   1.569   1.987   1.642
   75    HB3  CYS  11           HB1      CYS  11   1.567   0.607   2.725
   76    H    ARG  12           HN       ARG  12   3.377   2.202   0.138
   77    HA   ARG  12           HA       ARG  12   3.707  -0.361  -0.923
   78    HB2  ARG  12           HB2      ARG  12   4.186   0.931  -3.097
   79    HB3  ARG  12           HB1      ARG  12   2.587   0.997  -2.368
   80    HG2  ARG  12           HG2      ARG  12   3.219   3.089  -1.282
   81    HG3  ARG  12           HG1      ARG  12   4.755   3.058  -2.148
   82    HD2  ARG  12           HD2      ARG  12   1.989   3.196  -3.328
   83    HD3  ARG  12           HD1      ARG  12   3.191   4.487  -3.316
   84    HE   ARG  12           HE       ARG  12   4.546   2.723  -4.664
   85   HH11  ARG  12          HH11      ARG  12   1.118   3.374  -4.905
   86   HH12  ARG  12          HH12      ARG  12   1.014   2.885  -6.565
   87   HH21  ARG  12          HH21      ARG  12   4.413   2.073  -6.846
   88   HH22  ARG  12          HH22      ARG  12   2.887   2.140  -7.667
   89    H    VAL  13           HN       VAL  13   6.019   1.850   0.149
   90    HA   VAL  13           HA       VAL  13   8.142   0.678  -1.416
   91    HB   VAL  13           HB       VAL  13   7.943   2.945   0.523
   92   HG11  VAL  13          HG11      VAL  13  10.470   1.880  -0.722
   93   HG12  VAL  13          HG12      VAL  13  10.060   1.852   0.995
   94   HG13  VAL  13          HG13      VAL  13  10.313   3.392   0.173
   95   HG21  VAL  13          HG21      VAL  13   8.821   2.804  -2.349
   96   HG22  VAL  13          HG22      VAL  13   8.410   4.247  -1.418
   97   HG23  VAL  13          HG23      VAL  13   7.152   3.068  -1.833
   98    H    ASN  14           HN       ASN  14   7.050   0.733   1.935
   99    HA   ASN  14           HA       ASN  14   9.236  -0.924   2.830
  100    HB2  ASN  14           HB2      ASN  14   8.169   0.739   4.309
  101    HB3  ASN  14           HB1      ASN  14   6.659  -0.159   4.215
  102   HD21  ASN  14          HD21      ASN  14   6.520  -0.598   6.325
  103   HD22  ASN  14          HD22      ASN  14   7.588  -1.662   7.172
  104    H    ASN  15           HN       ASN  15   6.155  -1.380   1.438
  105    HA   ASN  15           HA       ASN  15   6.368  -4.275   1.737
  106    HB2  ASN  15           HB2      ASN  15   4.881  -3.339   3.565
  107    HB3  ASN  15           HB1      ASN  15   3.816  -2.776   2.285
  108   HD21  ASN  15          HD21      ASN  15   2.582  -4.256   1.140
  109   HD22  ASN  15          HD22      ASN  15   2.372  -5.890   1.662
  110    HA   HYP  16           HA       HYP  16   5.451  -2.768  -2.498
  111    HB2  HYP  16           HB1      HYP  16   7.482  -3.121  -3.362
  112    HB3  HYP  16           HB2      HYP  16   7.189  -4.859  -3.401
  113    HG   HYP  16           HG       HYP  16   8.918  -4.910  -1.886
  114   HD22  HYP  16          HD22      HYP  16   7.230  -5.582  -0.422
  115   HD23  HYP  16          HD23      HYP  16   7.769  -4.146   0.429
  116    HD1  HYP  16           HD1      HYP  16   8.380  -2.644  -0.472
  117    H    HIS  17           HN       HIS  17   3.845  -4.788  -1.023
  118    HA   HIS  17           HA       HIS  17   2.547  -5.794  -3.409
  119    HB2  HIS  17           HB2      HIS  17   4.051  -7.654  -2.600
  120    HB3  HIS  17           HB1      HIS  17   3.121  -7.676  -1.106
  121    HD1  HIS  17           HD1      HIS  17   2.212  -7.806  -4.808
  122    HD2  HIS  17           HD2      HIS  17   1.294  -9.642  -1.199
  123    HE1  HIS  17           HE1      HIS  17   0.462  -9.522  -5.353
  124    HE2  HIS  17           HE2      HIS  17  -0.228 -10.459  -3.120
  125    H    VAL  18           HN       VAL  18   2.111  -3.699  -1.491
  126    HA   VAL  18           HA       VAL  18  -0.105  -4.614   0.157
  127    HB   VAL  18           HB       VAL  18   1.533  -2.920   1.006
  128   HG11  VAL  18          HG11      VAL  18   1.885  -1.620  -0.997
  129   HG12  VAL  18          HG12      VAL  18   1.286  -0.583   0.295
  130   HG13  VAL  18          HG13      VAL  18   0.200  -1.104  -0.992
  131   HG21  VAL  18          HG21      VAL  18  -0.135  -1.489   2.066
  132   HG22  VAL  18          HG22      VAL  18  -0.656  -3.173   2.031
  133   HG23  VAL  18          HG23      VAL  18  -1.338  -2.015   0.889
  134    H    CYS  19           HN       CYS  19   0.485  -3.079  -2.870
  135    HA   CYS  19           HA       CYS  19  -2.382  -2.512  -3.185
  136    HB2  CYS  19           HB2      CYS  19  -0.771  -0.586  -3.402
  137    HB3  CYS  19           HB1      CYS  19  -0.096  -1.387  -4.815
  Start of MODEL   18
    1    H1   ILE   1           HT1      ILE   1  -6.848  -6.752  -6.341
    2    H2   ILE   1           HT2      ILE   1  -6.184  -5.290  -6.867
    3    H3   ILE   1           HT3      ILE   1  -7.125  -5.335  -5.466
    4    HA   ILE   1           HA       ILE   1  -5.502  -6.713  -4.371
    5    HB   ILE   1           HB       ILE   1  -3.252  -6.927  -5.447
    6   HG12  ILE   1          HG12      ILE   1  -4.785  -6.221  -7.955
    7   HG13  ILE   1          HG11      ILE   1  -3.579  -5.199  -7.181
    8   HG21  ILE   1          HG21      ILE   1  -4.738  -8.832  -5.283
    9   HG22  ILE   1          HG22      ILE   1  -3.873  -8.875  -6.821
   10   HG23  ILE   1          HG23      ILE   1  -5.557  -8.349  -6.768
   11   HD11  ILE   1          HD11      ILE   1  -2.667  -6.351  -9.111
   12   HD12  ILE   1          HD12      ILE   1  -3.083  -7.908  -8.395
   13   HD13  ILE   1          HD13      ILE   1  -1.873  -6.879  -7.630
   14    H    ARG   2           HN       ARG   2  -6.239  -3.825  -5.118
   15    HA   ARG   2           HA       ARG   2  -3.842  -2.603  -3.982
   16    HB2  ARG   2           HB2      ARG   2  -5.967  -1.211  -5.612
   17    HB3  ARG   2           HB1      ARG   2  -4.464  -0.511  -5.030
   18    HG2  ARG   2           HG2      ARG   2  -4.734  -2.689  -7.090
   19    HG3  ARG   2           HG1      ARG   2  -4.328  -1.002  -7.396
   20    HD2  ARG   2           HD2      ARG   2  -2.278  -1.283  -6.048
   21    HD3  ARG   2           HD1      ARG   2  -2.679  -2.989  -5.832
   22    HE   ARG   2           HE       ARG   2  -2.519  -2.070  -8.576
   23   HH11  ARG   2          HH11      ARG   2  -0.814  -3.580  -5.908
   24   HH12  ARG   2          HH12      ARG   2   0.388  -4.297  -6.935
   25   HH21  ARG   2          HH21      ARG   2  -0.939  -3.025  -9.909
   26   HH22  ARG   2          HH22      ARG   2   0.307  -4.002  -9.198
   27    H    ASP   3           HN       ASP   3  -4.041  -1.681  -2.038
   28    HA   ASP   3           HA       ASP   3  -6.726  -1.446  -0.911
   29    HB2  ASP   3           HB2      ASP   3  -4.018  -1.913   0.341
   30    HB3  ASP   3           HB1      ASP   3  -5.405  -1.417   1.295
   31    H    GLU   4           HN       GLU   4  -6.047   0.247   1.204
   32    HA   GLU   4           HA       GLU   4  -6.211   2.741  -0.183
   33    HB2  GLU   4           HB2      GLU   4  -6.297   1.989   2.727
   34    HB3  GLU   4           HB1      GLU   4  -6.250   3.670   2.218
   35    HG2  GLU   4           HG2      GLU   4  -8.520   3.011   2.646
   36    HG3  GLU   4           HG1      GLU   4  -8.309   3.322   0.927
   37    H    CYS   5           HN       CYS   5  -3.757   1.090   1.728
   38    HA   CYS   5           HA       CYS   5  -2.136   3.360   2.147
   39    HB2  CYS   5           HB2      CYS   5  -0.704   1.934   3.230
   40    HB3  CYS   5           HB1      CYS   5  -2.200   1.031   3.336
   41    H    CYS   6           HN       CYS   6  -2.703   1.600  -0.665
   42    HA   CYS   6           HA       CYS   6  -0.199   1.665  -1.918
   43    HB2  CYS   6           HB2      CYS   6  -2.942   1.883  -3.158
   44    HB3  CYS   6           HB1      CYS   6  -1.472   1.369  -3.971
   45    H    SER   7           HN       SER   7  -2.641   4.119  -1.415
   46    HA   SER   7           HA       SER   7  -1.483   5.967  -3.303
   47    HB2  SER   7           HB2      SER   7  -3.088   7.595  -2.249
   48    HB3  SER   7           HB1      SER   7  -3.854   6.144  -2.890
   49    HG   SER   7           HG       SER   7  -4.004   5.328  -0.802
   50    H    ASN   8           HN       ASN   8  -0.338   4.736  -0.641
   51    HA   ASN   8           HA       ASN   8   0.873   7.202   0.414
   52    HB2  ASN   8           HB2      ASN   8   0.297   4.554   1.729
   53    HB3  ASN   8           HB1      ASN   8   1.210   5.845   2.497
   54   HD21  ASN   8          HD21      ASN   8  -1.922   4.892   1.274
   55   HD22  ASN   8          HD22      ASN   8  -2.845   6.039   2.182
   56    HA   PRO   9           HA       PRO   9   4.340   5.258  -1.704
   57    HB2  PRO   9           HB2      PRO   9   5.696   7.560  -0.388
   58    HB3  PRO   9           HB1      PRO   9   5.806   7.008  -2.063
   59    HG2  PRO   9           HG2      PRO   9   4.383   9.160  -1.451
   60    HG3  PRO   9           HG1      PRO   9   3.777   7.993  -2.643
   61    HD2  PRO   9           HD2      PRO   9   2.973   8.378   0.211
   62    HD3  PRO   9           HD1      PRO   9   1.974   7.999  -1.201
   63    H    VAL  10           HN       VAL  10   4.027   6.091   1.652
   64    HA   VAL  10           HA       VAL  10   6.517   4.927   2.487
   65    HB   VAL  10           HB       VAL  10   4.063   5.653   4.104
   66   HG11  VAL  10          HG11      VAL  10   5.532   5.570   6.054
   67   HG12  VAL  10          HG12      VAL  10   6.860   5.014   5.036
   68   HG13  VAL  10          HG13      VAL  10   5.437   3.997   5.261
   69   HG21  VAL  10          HG21      VAL  10   6.653   7.145   3.724
   70   HG22  VAL  10          HG22      VAL  10   5.277   7.662   4.693
   71   HG23  VAL  10          HG23      VAL  10   5.127   7.545   2.942
   72    H    CYS  11           HN       CYS  11   3.175   3.810   2.233
   73    HA   CYS  11           HA       CYS  11   3.701   1.352   3.568
   74    HB2  CYS  11           HB2      CYS  11   1.414   2.215   3.435
   75    HB3  CYS  11           HB1      CYS  11   1.443   2.047   1.682
   76    H    ARG  12           HN       ARG  12   3.838   2.444   0.232
   77    HA   ARG  12           HA       ARG  12   3.992  -0.236  -0.717
   78    HB2  ARG  12           HB2      ARG  12   4.316   0.879  -2.990
   79    HB3  ARG  12           HB1      ARG  12   2.764   1.035  -2.179
   80    HG2  ARG  12           HG2      ARG  12   3.593   3.191  -1.267
   81    HG3  ARG  12           HG1      ARG  12   4.949   3.061  -2.386
   82    HD2  ARG  12           HD2      ARG  12   2.017   3.177  -3.066
   83    HD3  ARG  12           HD1      ARG  12   3.214   4.435  -3.361
   84    HE   ARG  12           HE       ARG  12   4.210   2.332  -4.727
   85   HH11  ARG  12          HH11      ARG  12   1.030   3.785  -4.637
   86   HH12  ARG  12          HH12      ARG  12   0.694   3.468  -6.309
   87   HH21  ARG  12          HH21      ARG  12   3.764   1.896  -6.937
   88   HH22  ARG  12          HH22      ARG  12   2.246   2.390  -7.614
   89    H    VAL  13           HN       VAL  13   6.292   2.057   0.191
   90    HA   VAL  13           HA       VAL  13   8.444   0.914  -1.291
   91    HB   VAL  13           HB       VAL  13   9.854   2.215   0.337
   92   HG11  VAL  13          HG11      VAL  13   7.724   3.727  -1.153
   93   HG12  VAL  13          HG12      VAL  13   9.233   3.120  -1.835
   94   HG13  VAL  13          HG13      VAL  13   9.266   4.389  -0.612
   95   HG21  VAL  13          HG21      VAL  13   7.155   3.093   1.302
   96   HG22  VAL  13          HG22      VAL  13   8.679   3.892   1.710
   97   HG23  VAL  13          HG23      VAL  13   8.383   2.230   2.225
   98    H    ASN  14           HN       ASN  14   7.012   0.376   1.894
   99    HA   ASN  14           HA       ASN  14   9.277  -1.278   2.673
  100    HB2  ASN  14           HB2      ASN  14   8.494  -1.216   4.861
  101    HB3  ASN  14           HB1      ASN  14   8.011   0.353   4.234
  102   HD21  ASN  14          HD21      ASN  14   5.825   0.777   3.902
  103   HD22  ASN  14          HD22      ASN  14   4.587  -0.224   4.575
  104    H    ASN  15           HN       ASN  15   5.881  -1.691   1.796
  105    HA   ASN  15           HA       ASN  15   5.852  -4.470   2.428
  106    HB2  ASN  15           HB2      ASN  15   3.619  -4.323   2.003
  107    HB3  ASN  15           HB1      ASN  15   3.926  -2.608   2.192
  108   HD21  ASN  15          HD21      ASN  15   3.558  -1.290   0.524
  109   HD22  ASN  15          HD22      ASN  15   3.017  -1.802  -1.035
  110    HA   HYP  16           HA       HYP  16   7.566  -6.268  -1.129
  111    HB2  HYP  16           HB1      HYP  16   7.158  -8.307  -0.306
  112    HB3  HYP  16           HB2      HYP  16   5.781  -8.372  -1.404
  113    HG   HYP  16           HG       HYP  16   4.331  -8.274   0.320
  114   HD22  HYP  16          HD22      HYP  16   4.184  -6.158   1.149
  115   HD23  HYP  16          HD23      HYP  16   5.646  -6.408   2.085
  116    HD1  HYP  16           HD1      HYP  16   6.018  -8.010   2.391
  117    H    HIS  17           HN       HIS  17   6.043  -4.168  -2.009
  118    HA   HIS  17           HA       HIS  17   5.054  -3.288  -3.855
  119    HB2  HIS  17           HB2      HIS  17   6.270  -5.782  -5.020
  120    HB3  HIS  17           HB1      HIS  17   5.397  -4.624  -6.017
  121    HD1  HIS  17           HD1      HIS  17   6.497  -2.275  -6.339
  122    HD2  HIS  17           HD2      HIS  17   8.825  -5.015  -4.253
  123    HE1  HIS  17           HE1      HIS  17   8.811  -1.302  -6.302
  124    HE2  HIS  17           HE2      HIS  17  10.144  -2.873  -4.857
  125    H    VAL  18           HN       VAL  18   3.254  -4.536  -2.181
  126    HA   VAL  18           HA       VAL  18   1.376  -5.982  -3.854
  127    HB   VAL  18           HB       VAL  18   0.939  -4.818  -1.088
  128   HG11  VAL  18          HG11      VAL  18  -1.123  -5.351  -2.321
  129   HG12  VAL  18          HG12      VAL  18  -0.896  -6.395  -0.919
  130   HG13  VAL  18          HG13      VAL  18  -0.553  -7.005  -2.538
  131   HG21  VAL  18          HG21      VAL  18   1.854  -7.573  -1.895
  132   HG22  VAL  18          HG22      VAL  18   1.372  -7.105  -0.267
  133   HG23  VAL  18          HG23      VAL  18   2.788  -6.367  -1.011
  134    H    CYS  19           HN       CYS  19   2.246  -2.810  -3.174
  135    HA   CYS  19           HA       CYS  19  -0.168  -1.773  -4.489
  136    HB2  CYS  19           HB2      CYS  19   1.557  -0.488  -2.364
  137    HB3  CYS  19           HB1      CYS  19   0.364   0.398  -3.307
  Start of MODEL   19
    1    H1   ILE   1           HT1      ILE   1  -8.782  -1.157  -7.294
    2    H2   ILE   1           HT2      ILE   1  -9.572  -2.646  -7.257
    3    H3   ILE   1           HT3      ILE   1  -8.076  -2.503  -8.030
    4    HA   ILE   1           HA       ILE   1  -7.856  -3.587  -5.894
    5    HB   ILE   1           HB       ILE   1  -6.152  -2.053  -4.889
    6   HG12  ILE   1          HG12      ILE   1  -5.610  -0.060  -6.520
    7   HG13  ILE   1          HG11      ILE   1  -7.323  -0.160  -6.890
    8   HG21  ILE   1          HG21      ILE   1  -5.531  -3.615  -6.618
    9   HG22  ILE   1          HG22      ILE   1  -4.633  -2.111  -6.813
   10   HG23  ILE   1          HG23      ILE   1  -6.002  -2.462  -7.867
   11   HD11  ILE   1          HD11      ILE   1  -7.854   0.206  -4.537
   12   HD12  ILE   1          HD12      ILE   1  -6.878   1.519  -5.196
   13   HD13  ILE   1          HD13      ILE   1  -6.133   0.298  -4.166
   14    H    ARG   2           HN       ARG   2  -7.599  -3.045  -3.504
   15    HA   ARG   2           HA       ARG   2  -9.284  -0.935  -2.523
   16    HB2  ARG   2           HB2      ARG   2 -10.918  -2.741  -2.776
   17    HB3  ARG   2           HB1      ARG   2  -9.893  -3.816  -1.836
   18    HG2  ARG   2           HG2      ARG   2 -11.762  -2.940  -0.517
   19    HG3  ARG   2           HG1      ARG   2 -10.202  -2.442   0.138
   20    HD2  ARG   2           HD2      ARG   2 -10.496  -0.282  -1.137
   21    HD3  ARG   2           HD1      ARG   2 -12.152  -0.793  -1.457
   22    HE   ARG   2           HE       ARG   2 -11.812  -0.992   1.272
   23   HH11  ARG   2          HH11      ARG   2 -11.651   1.554  -1.129
   24   HH12  ARG   2          HH12      ARG   2 -12.098   2.807  -0.016
   25   HH21  ARG   2          HH21      ARG   2 -12.384   0.667   2.741
   26   HH22  ARG   2          HH22      ARG   2 -12.510   2.303   2.180
   27    H    ASP   3           HN       ASP   3  -7.105  -0.310  -1.961
   28    HA   ASP   3           HA       ASP   3  -6.565  -1.056   0.762
   29    HB2  ASP   3           HB2      ASP   3  -5.180  -2.642  -0.690
   30    HB3  ASP   3           HB1      ASP   3  -4.276  -1.221  -1.206
   31    H    GLU   4           HN       GLU   4  -5.969   0.684   1.852
   32    HA   GLU   4           HA       GLU   4  -6.047   3.202   0.548
   33    HB2  GLU   4           HB2      GLU   4  -7.085   2.878   2.701
   34    HB3  GLU   4           HB1      GLU   4  -5.558   2.377   3.407
   35    HG2  GLU   4           HG2      GLU   4  -4.664   4.575   3.136
   36    HG3  GLU   4           HG1      GLU   4  -6.127   5.116   2.313
   37    H    CYS   5           HN       CYS   5  -3.529   1.070   1.597
   38    HA   CYS   5           HA       CYS   5  -1.549   3.085   2.004
   39    HB2  CYS   5           HB2      CYS   5  -1.706   0.156   2.140
   40    HB3  CYS   5           HB1      CYS   5  -0.133   0.791   1.688
   41    H    CYS   6           HN       CYS   6  -2.881   1.785  -0.795
   42    HA   CYS   6           HA       CYS   6  -0.647   1.729  -2.503
   43    HB2  CYS   6           HB2      CYS   6  -3.520   2.428  -3.123
   44    HB3  CYS   6           HB1      CYS   6  -2.308   1.939  -4.294
   45    H    SER   7           HN       SER   7  -2.791   4.339  -1.452
   46    HA   SER   7           HA       SER   7  -1.373   6.278  -3.100
   47    HB2  SER   7           HB2      SER   7  -3.598   6.702  -1.091
   48    HB3  SER   7           HB1      SER   7  -2.987   7.901  -2.227
   49    HG   SER   7           HG       SER   7  -4.086   5.410  -3.029
   50    H    ASN   8           HN       ASN   8  -0.230   4.714  -0.821
   51    HA   ASN   8           HA       ASN   8   0.931   6.984   0.645
   52    HB2  ASN   8           HB2      ASN   8   0.153   4.261   1.661
   53    HB3  ASN   8           HB1      ASN   8   1.290   5.290   2.519
   54   HD21  ASN   8          HD21      ASN   8  -2.016   4.950   1.460
   55   HD22  ASN   8          HD22      ASN   8  -2.685   6.102   2.564
   56    HA   PRO   9           HA       PRO   9   4.227   4.950  -1.679
   57    HB2  PRO   9           HB2      PRO   9   6.044   6.973  -1.342
   58    HB3  PRO   9           HB1      PRO   9   4.811   6.964  -2.603
   59    HG2  PRO   9           HG2      PRO   9   4.774   8.332   0.055
   60    HG3  PRO   9           HG1      PRO   9   4.293   8.959  -1.536
   61    HD2  PRO   9           HD2      PRO   9   2.480   8.092   0.229
   62    HD3  PRO   9           HD1      PRO   9   2.270   7.821  -1.510
   63    H    VAL  10           HN       VAL  10   3.993   5.974   1.562
   64    HA   VAL  10           HA       VAL  10   6.566   4.986   2.431
   65    HB   VAL  10           HB       VAL  10   4.099   5.709   4.042
   66   HG11  VAL  10          HG11      VAL  10   5.587   4.197   5.263
   67   HG12  VAL  10          HG12      VAL  10   5.592   5.814   5.966
   68   HG13  VAL  10          HG13      VAL  10   6.940   5.286   4.959
   69   HG21  VAL  10          HG21      VAL  10   5.279   7.797   4.520
   70   HG22  VAL  10          HG22      VAL  10   4.989   7.603   2.793
   71   HG23  VAL  10          HG23      VAL  10   6.593   7.300   3.456
   72    H    CYS  11           HN       CYS  11   3.274   3.765   2.185
   73    HA   CYS  11           HA       CYS  11   3.769   1.376   3.631
   74    HB2  CYS  11           HB2      CYS  11   1.658   2.094   1.598
   75    HB3  CYS  11           HB1      CYS  11   1.681   0.602   2.515
   76    H    ARG  12           HN       ARG  12   3.659   2.205   0.174
   77    HA   ARG  12           HA       ARG  12   4.114  -0.482  -0.555
   78    HB2  ARG  12           HB2      ARG  12   4.393   0.557  -2.906
   79    HB3  ARG  12           HB1      ARG  12   2.817   0.487  -2.134
   80    HG2  ARG  12           HG2      ARG  12   3.195   2.790  -1.342
   81    HG3  ARG  12           HG1      ARG  12   4.649   2.844  -2.342
   82    HD2  ARG  12           HD2      ARG  12   1.777   2.688  -3.145
   83    HD3  ARG  12           HD1      ARG  12   3.036   3.779  -3.723
   84    HE   ARG  12           HE       ARG  12   2.886   0.909  -4.418
   85   HH11  ARG  12          HH11      ARG  12   3.575   4.245  -5.278
   86   HH12  ARG  12          HH12      ARG  12   4.083   3.848  -6.889
   87   HH21  ARG  12          HH21      ARG  12   3.553   0.406  -6.540
   88   HH22  ARG  12          HH22      ARG  12   4.076   1.672  -7.600
   89    H    VAL  13           HN       VAL  13   6.231   2.065   0.124
   90    HA   VAL  13           HA       VAL  13   8.468   1.060  -1.281
   91    HB   VAL  13           HB       VAL  13   8.393   3.354  -0.470
   92   HG11  VAL  13          HG11      VAL  13   8.379   3.935   1.819
   93   HG12  VAL  13          HG12      VAL  13   8.626   2.259   2.313
   94   HG13  VAL  13          HG13      VAL  13   7.089   2.744   1.587
   95   HG21  VAL  13          HG21      VAL  13  10.583   2.375  -0.753
   96   HG22  VAL  13          HG22      VAL  13  10.528   1.741   0.891
   97   HG23  VAL  13          HG23      VAL  13  10.575   3.482   0.618
   98    H    ASN  14           HN       ASN  14   7.084   0.437   1.943
   99    HA   ASN  14           HA       ASN  14   9.364  -1.291   2.543
  100    HB2  ASN  14           HB2      ASN  14   8.799  -1.197   4.813
  101    HB3  ASN  14           HB1      ASN  14   8.452   0.419   4.216
  102   HD21  ASN  14          HD21      ASN  14   6.346   1.148   4.185
  103   HD22  ASN  14          HD22      ASN  14   5.048   0.280   4.924
  104    H    ASN  15           HN       ASN  15   5.932  -1.580   1.783
  105    HA   ASN  15           HA       ASN  15   5.675  -4.195   2.777
  106    HB2  ASN  15           HB2      ASN  15   3.576  -4.265   1.629
  107    HB3  ASN  15           HB1      ASN  15   3.748  -2.703   2.375
  108   HD21  ASN  15          HD21      ASN  15   2.153  -1.870   1.069
  109   HD22  ASN  15          HD22      ASN  15   2.417  -1.483  -0.602
  110    HA   HYP  16           HA       HYP  16   7.899  -6.613  -0.011
  111    HB2  HYP  16           HB1      HYP  16   7.708  -8.443   1.232
  112    HB3  HYP  16           HB2      HYP  16   6.214  -8.829   0.384
  113    HG   HYP  16           HG       HYP  16   5.035  -8.411   2.248
  114   HD22  HYP  16          HD22      HYP  16   4.638  -6.178   2.367
  115   HD23  HYP  16          HD23      HYP  16   6.196  -5.945   3.144
  116    HD1  HYP  16           HD1      HYP  16   6.656  -7.377   3.987
  117    H    HIS  17           HN       HIS  17   4.412  -7.253  -0.307
  118    HA   HIS  17           HA       HIS  17   4.503  -6.590  -3.107
  119    HB2  HIS  17           HB2      HIS  17   3.756  -8.748  -3.967
  120    HB3  HIS  17           HB1      HIS  17   5.320  -8.903  -3.182
  121    HD1  HIS  17           HD1      HIS  17   1.870 -10.181  -3.119
  122    HD2  HIS  17           HD2      HIS  17   5.223 -10.313  -0.666
  123    HE1  HIS  17           HE1      HIS  17   1.443 -12.047  -1.491
  124    HE2  HIS  17           HE2      HIS  17   3.500 -12.141  -0.044
  125    H    VAL  18           HN       VAL  18   3.089  -5.459  -0.986
  126    HA   VAL  18           HA       VAL  18   0.381  -6.483  -1.056
  127    HB   VAL  18           HB       VAL  18   1.400  -3.917   0.181
  128   HG11  VAL  18          HG11      VAL  18  -0.676  -3.995   1.488
  129   HG12  VAL  18          HG12      VAL  18  -1.191  -5.410   0.571
  130   HG13  VAL  18          HG13      VAL  18  -0.991  -3.860  -0.241
  131   HG21  VAL  18          HG21      VAL  18   0.861  -6.576   1.491
  132   HG22  VAL  18          HG22      VAL  18   1.404  -5.104   2.293
  133   HG23  VAL  18          HG23      VAL  18   2.457  -5.922   1.141
  134    H    CYS  19           HN       CYS  19   1.566  -3.180  -1.595
  135    HA   CYS  19           HA       CYS  19   0.538  -2.884  -4.200
  136    HB2  CYS  19           HB2      CYS  19  -1.638  -3.053  -3.028
  137    HB3  CYS  19           HB1      CYS  19  -1.168  -1.723  -1.976
  Start of MODEL   20
    1    H1   ILE   1           HT1      ILE   1 -12.545  -4.130  -1.374
    2    H2   ILE   1           HT2      ILE   1 -12.246  -3.520   0.175
    3    H3   ILE   1           HT3      ILE   1 -11.346  -4.826  -0.408
    4    HA   ILE   1           HA       ILE   1 -10.321  -3.473  -2.067
    5    HB   ILE   1           HB       ILE   1 -11.884  -1.186  -0.867
    6   HG12  ILE   1          HG12      ILE   1 -12.116  -2.472  -3.598
    7   HG13  ILE   1          HG11      ILE   1 -13.286  -2.630  -2.294
    8   HG21  ILE   1          HG21      ILE   1  -9.667  -0.511  -1.569
    9   HG22  ILE   1          HG22      ILE   1 -10.869   0.138  -2.683
   10   HG23  ILE   1          HG23      ILE   1  -9.909  -1.267  -3.143
   11   HD11  ILE   1          HD11      ILE   1 -13.718  -0.227  -2.401
   12   HD12  ILE   1          HD12      ILE   1 -14.039  -1.029  -3.939
   13   HD13  ILE   1          HD13      ILE   1 -12.563  -0.088  -3.726
   14    H    ARG   2           HN       ARG   2  -8.343  -3.574  -1.236
   15    HA   ARG   2           HA       ARG   2  -7.841  -2.245   1.318
   16    HB2  ARG   2           HB2      ARG   2  -6.080  -3.933   1.747
   17    HB3  ARG   2           HB1      ARG   2  -7.689  -4.632   1.650
   18    HG2  ARG   2           HG2      ARG   2  -7.241  -5.378  -0.624
   19    HG3  ARG   2           HG1      ARG   2  -5.634  -4.655  -0.552
   20    HD2  ARG   2           HD2      ARG   2  -5.478  -7.028  -0.139
   21    HD3  ARG   2           HD1      ARG   2  -5.077  -6.140   1.329
   22    HE   ARG   2           HE       ARG   2  -7.776  -7.249   0.937
   23   HH11  ARG   2          HH11      ARG   2  -4.806  -7.036   2.782
   24   HH12  ARG   2          HH12      ARG   2  -5.410  -7.981   4.103
   25   HH21  ARG   2          HH21      ARG   2  -8.570  -8.498   2.680
   26   HH22  ARG   2          HH22      ARG   2  -7.555  -8.805   4.050
   27    H    ASP   3           HN       ASP   3  -7.670  -0.960  -1.160
   28    HA   ASP   3           HA       ASP   3  -4.806  -0.816  -1.733
   29    HB2  ASP   3           HB2      ASP   3  -7.219   0.247  -3.204
   30    HB3  ASP   3           HB1      ASP   3  -5.567   0.644  -3.657
   31    H    GLU   4           HN       GLU   4  -5.938   0.259   0.722
   32    HA   GLU   4           HA       GLU   4  -6.170   3.076   0.569
   33    HB2  GLU   4           HB2      GLU   4  -5.371   1.341   2.913
   34    HB3  GLU   4           HB1      GLU   4  -5.869   3.023   3.012
   35    HG2  GLU   4           HG2      GLU   4  -7.574   0.736   2.058
   36    HG3  GLU   4           HG1      GLU   4  -7.669   1.512   3.639
   37    H    CYS   5           HN       CYS   5  -3.496   1.023   1.715
   38    HA   CYS   5           HA       CYS   5  -1.660   3.152   1.965
   39    HB2  CYS   5           HB2      CYS   5  -1.621   0.239   2.235
   40    HB3  CYS   5           HB1      CYS   5  -0.092   0.942   1.731
   41    H    CYS   6           HN       CYS   6  -2.901   1.731  -0.759
   42    HA   CYS   6           HA       CYS   6  -0.670   1.670  -2.499
   43    HB2  CYS   6           HB2      CYS   6  -2.816   0.541  -2.950
   44    HB3  CYS   6           HB1      CYS   6  -3.602   2.106  -3.081
   45    H    SER   7           HN       SER   7  -2.479   4.203  -1.128
   46    HA   SER   7           HA       SER   7  -1.559   6.168  -3.097
   47    HB2  SER   7           HB2      SER   7  -3.445   6.637  -0.779
   48    HB3  SER   7           HB1      SER   7  -3.217   7.647  -2.206
   49    HG   SER   7           HG       SER   7  -4.230   6.113  -3.450
   50    H    ASN   8           HN       ASN   8  -0.310   4.710  -0.593
   51    HA   ASN   8           HA       ASN   8   0.860   7.113   0.656
   52    HB2  ASN   8           HB2      ASN   8   0.404   4.360   1.814
   53    HB3  ASN   8           HB1      ASN   8   1.290   5.640   2.630
   54   HD21  ASN   8          HD21      ASN   8  -1.845   4.709   1.374
   55   HD22  ASN   8          HD22      ASN   8  -2.775   5.734   2.409
   56    HA   PRO   9           HA       PRO   9   4.215   5.463  -1.705
   57    HB2  PRO   9           HB2      PRO   9   6.110   7.284  -0.939
   58    HB3  PRO   9           HB1      PRO   9   4.868   7.615  -2.150
   59    HG2  PRO   9           HG2      PRO   9   4.901   8.324   0.756
   60    HG3  PRO   9           HG1      PRO   9   4.445   9.327  -0.637
   61    HD2  PRO   9           HD2      PRO   9   2.599   8.147   0.896
   62    HD3  PRO   9           HD1      PRO   9   2.375   8.302  -0.854
   63    H    VAL  10           HN       VAL  10   4.153   5.846   1.716
   64    HA   VAL  10           HA       VAL  10   6.762   4.670   2.149
   65    HB   VAL  10           HB       VAL  10   4.570   5.308   4.137
   66   HG11  VAL  10          HG11      VAL  10   6.070   3.584   4.981
   67   HG12  VAL  10          HG12      VAL  10   6.330   5.108   5.832
   68   HG13  VAL  10          HG13      VAL  10   7.465   4.589   4.587
   69   HG21  VAL  10          HG21      VAL  10   7.065   6.828   3.387
   70   HG22  VAL  10          HG22      VAL  10   5.967   7.250   4.699
   71   HG23  VAL  10          HG23      VAL  10   5.406   7.301   3.029
   72    H    CYS  11           HN       CYS  11   3.374   3.675   2.458
   73    HA   CYS  11           HA       CYS  11   3.773   1.155   3.555
   74    HB2  CYS  11           HB2      CYS  11   1.687   2.044   1.565
   75    HB3  CYS  11           HB1      CYS  11   1.612   0.599   2.551
   76    H    ARG  12           HN       ARG  12   3.932   2.323   0.275
   77    HA   ARG  12           HA       ARG  12   3.897  -0.218  -0.986
   78    HB2  ARG  12           HB2      ARG  12   4.687   2.481  -2.037
   79    HB3  ARG  12           HB1      ARG  12   4.223   1.081  -3.006
   80    HG2  ARG  12           HG2      ARG  12   2.052   1.097  -1.851
   81    HG3  ARG  12           HG1      ARG  12   2.514   2.578  -1.046
   82    HD2  ARG  12           HD2      ARG  12   1.050   2.804  -3.100
   83    HD3  ARG  12           HD1      ARG  12   2.487   3.810  -3.018
   84    HE   ARG  12           HE       ARG  12   2.947   1.340  -4.410
   85   HH11  ARG  12          HH11      ARG  12   1.578   4.541  -4.761
   86   HH12  ARG  12          HH12      ARG  12   1.832   4.608  -6.475
   87   HH21  ARG  12          HH21      ARG  12   3.288   1.421  -6.667
   88   HH22  ARG  12          HH22      ARG  12   2.811   2.828  -7.563
   89    H    VAL  13           HN       VAL  13   6.369   1.993  -0.041
   90    HA   VAL  13           HA       VAL  13   8.447   0.454  -1.294
   91    HB   VAL  13           HB       VAL  13   9.942   2.121  -0.420
   92   HG11  VAL  13          HG11      VAL  13   7.381   3.054  -1.639
   93   HG12  VAL  13          HG12      VAL  13   8.932   2.740  -2.430
   94   HG13  VAL  13          HG13      VAL  13   8.743   4.155  -1.393
   95   HG21  VAL  13          HG21      VAL  13   7.570   3.205   1.068
   96   HG22  VAL  13          HG22      VAL  13   9.137   4.000   0.934
   97   HG23  VAL  13          HG23      VAL  13   8.998   2.463   1.787
   98    H    ASN  14           HN       ASN  14   6.930   0.608   1.801
   99    HA   ASN  14           HA       ASN  14   9.049  -0.853   3.146
  100    HB2  ASN  14           HB2      ASN  14   7.694   0.839   4.353
  101    HB3  ASN  14           HB1      ASN  14   6.259  -0.145   4.092
  102   HD21  ASN  14          HD21      ASN  14   5.834  -0.471   6.223
  103   HD22  ASN  14          HD22      ASN  14   6.838  -1.423   7.259
  104    H    ASN  15           HN       ASN  15   6.000  -1.440   1.600
  105    HA   ASN  15           HA       ASN  15   6.360  -4.327   1.917
  106    HB2  ASN  15           HB2      ASN  15   4.679  -3.530   3.585
  107    HB3  ASN  15           HB1      ASN  15   3.735  -2.873   2.253
  108   HD21  ASN  15          HD21      ASN  15   2.519  -4.224   0.994
  109   HD22  ASN  15          HD22      ASN  15   2.271  -5.895   1.366
  110    HA   HYP  16           HA       HYP  16   5.729  -2.995  -2.420
  111    HB2  HYP  16           HB1      HYP  16   7.860  -3.182  -3.085
  112    HB3  HYP  16           HB2      HYP  16   7.725  -4.941  -3.087
  113    HG   HYP  16           HG       HYP  16   9.309  -4.790  -1.427
  114   HD22  HYP  16          HD22      HYP  16   7.551  -5.576  -0.107
  115   HD23  HYP  16          HD23      HYP  16   7.892  -4.083   0.750
  116    HD1  HYP  16           HD1      HYP  16   8.449  -2.563  -0.133
  117    H    HIS  17           HN       HIS  17   4.133  -4.996  -1.021
  118    HA   HIS  17           HA       HIS  17   3.379  -6.554  -3.375
  119    HB2  HIS  17           HB2      HIS  17   3.769  -7.673  -0.593
  120    HB3  HIS  17           HB1      HIS  17   2.785  -8.478  -1.808
  121    HD1  HIS  17           HD1      HIS  17   6.136  -8.404  -0.530
  122    HD2  HIS  17           HD2      HIS  17   4.409  -9.030  -4.257
  123    HE1  HIS  17           HE1      HIS  17   7.882  -9.591  -1.893
  124    HE2  HIS  17           HE2      HIS  17   6.872  -9.808  -4.190
  125    H    VAL  18           HN       VAL  18   2.146  -4.350  -3.014
  126    HA   VAL  18           HA       VAL  18  -0.494  -5.051  -2.116
  127    HB   VAL  18           HB       VAL  18   0.581  -4.314   0.007
  128   HG11  VAL  18          HG11      VAL  18   0.821  -1.647  -1.372
  129   HG12  VAL  18          HG12      VAL  18   2.152  -2.687  -0.870
  130   HG13  VAL  18          HG13      VAL  18   1.106  -1.948   0.340
  131   HG21  VAL  18          HG21      VAL  18  -1.599  -2.493  -1.017
  132   HG22  VAL  18          HG22      VAL  18  -1.188  -2.755   0.678
  133   HG23  VAL  18          HG23      VAL  18  -1.826  -4.084  -0.289
  134    H    CYS  19           HN       CYS  19   1.742  -2.709  -3.457
  135    HA   CYS  19           HA       CYS  19  -0.070  -1.886  -5.473
  136    HB2  CYS  19           HB2      CYS  19  -1.055  -0.566  -3.679
  137    HB3  CYS  19           HB1      CYS  19   0.524   0.078  -3.248