*HEADER    TOXIN                                   05-JAN-19   6NK9              
*TITLE     SOLUTION STRUCTURE OF ACATX1, A POTASSIUM CHANNEL INHIBITOR FROM THE  
*TITLE    2 SEA ANEMONE ANTOPLEURA CASCAIA                                       
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ACA TOXIN 1;                                               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 ORGANISM_SCIENTIFIC: ANTHOPLEURA;                                    
*SOURCE   3 ORGANISM_TAXID: 6109;                                                
*SOURCE   4 EXPRESSION_SYSTEM: ESCHERICHIA COLI;                                 
*SOURCE   5 EXPRESSION_SYSTEM_TAXID: 562                                         
*KEYWDS    POTASSIUM CHANNEL INHIBITOR, PORE-BLOCKING, NEUROTOXIN, TOXIN         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    G.C.AMORIM,B.MADIO,F.C.L.ALMEIDA                                      
*REVDAT   1   15-JAN-20 6NK9    0                                                
# Restraints file 1: AcaTx1_distance-constraints.tbl
 ASSI {    1}
   (( segid "   A" and resid 29   and name  1HB ))
   (( segid "   A" and resid 29   and name  2HB ))
      2.297     0.660     0.660 peak     1 weight  1.00000E+00 volume  1.66088E+06 ppm1      1.815 ppm2      2.171

 ASSI {    2}
   (( segid "   A" and resid 1    and name  1HB ))
   (( segid "   A" and resid 1    and name  HA  ))
      2.237     0.625     0.625 peak     2 weight  1.00000E+00 volume  1.94831E+06 ppm1      2.702 ppm2      4.478

 ASSI {    3}
   (( segid "   A" and resid 1    and name  1HB ))
   (( segid "   A" and resid 2    and name  H   ))
      2.787     0.971     0.971 peak     3 weight  1.00000E+00 volume  5.20571E+05 ppm1      2.700 ppm2      8.428

 ASSI {    4}
   (( segid "   A" and resid 1    and name  1HB ))
   (( segid "   A" and resid 1    and name  2HB ))
      1.891     0.447     0.447 peak     4 weight  1.00000E+00 volume  5.33839E+06 ppm1      3.092 ppm2      2.703

 ASSI {    5}
   (( segid "   A" and resid 1    and name  HA  ))
   (( segid "   A" and resid 1    and name  2HB ))
      2.257     0.637     0.637 peak     5 weight  1.00000E+00 volume  1.84641E+06 ppm1      3.092 ppm2      4.495

 ASSI {    6}
   (( segid "   A" and resid 2    and name  H   ))
   (( segid "   A" and resid 2    and name  2HA ))
      2.329     0.678     0.678 peak     6 weight  1.00000E+00 volume  1.52938E+06 ppm1      3.638 ppm2      8.415

 ASSI {    7}
   (( segid "   A" and resid 2    and name  2HA ))
   (( segid "   A" and resid 3    and name  H   ))
      2.497     0.779     0.779 peak     7 weight  1.00000E+00 volume  1.00810E+06 ppm1      3.638 ppm2      8.258

 ASSI {    8}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 26   and name  1HB ))
      2.641     0.872     0.872 peak     8 weight  1.00000E+00 volume  7.19998E+05 ppm1      3.553 ppm2      3.139

 ASSI {    9}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 4    and name  QB  ))
      1.955     0.478     0.478 peak     9 weight  1.00000E+00 volume  4.37188E+06 ppm1      3.552 ppm2      1.294

 ASSI {   10}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 18   and name  QD1 ))
      2.410     0.726     0.726 peak    10 weight  1.00000E+00 volume  1.24713E+06 ppm1      3.550 ppm2      0.257

 ASSI {   11}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 5    and name  H   ))
      1.858     0.431     0.431 peak    11 weight  1.00000E+00 volume  5.93752E+06 ppm1      3.552 ppm2      9.165

 ASSI {   12}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 4    and name  H   ))
      2.311     0.667     0.667 peak    12 weight  1.00000E+00 volume  1.60413E+06 ppm1      3.551 ppm2      8.408

 ASSI {   13}
   (( segid "   A" and resid 4    and name  QB  ))
   (( segid "   A" and resid 18   and name  QD1 ))
      2.671     0.892     0.892 peak    13 weight  1.00000E+00 volume  6.71759E+05 ppm1      1.294 ppm2      0.250

 ASSI {   14}
   (( segid "   A" and resid 17   and name  1HA ))
   (( segid "   A" and resid 17   and name  2HA ))
      1.857     0.431     0.431 peak    14 weight  1.00000E+00 volume  5.94848E+06 ppm1      3.568 ppm2      4.224

 ASSI {   15}
   (( segid "   A" and resid 5    and name  H   ))
   (( segid "   A" and resid 5    and name  2HA ))
      2.500     0.782     0.782 peak    15 weight  1.00000E+00 volume  9.98683E+05 ppm1      3.535 ppm2      9.165

 ASSI {   16}
   (( segid "   A" and resid 5    and name  H   ))
   (( segid "   A" and resid 5    and name  1HA ))
      2.662     0.886     0.886 peak    16 weight  1.00000E+00 volume  6.85610E+05 ppm1      4.374 ppm2      9.162

 ASSI {   17}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 6    and name  QB  ))
      1.903     0.453     0.453 peak    17 weight  1.00000E+00 volume  5.13820E+06 ppm1      4.250 ppm2      1.413

 ASSI {   18}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 7    and name  H   ))
      1.852     0.429     0.429 peak    18 weight  1.00000E+00 volume  6.05713E+06 ppm1      4.250 ppm2      8.332

 ASSI {   19}
   (( segid "   A" and resid 6    and name  QB  ))
   (( segid "   A" and resid 2    and name  1HA ))
      2.464     0.759     0.759 peak    19 weight  1.00000E+00 volume  1.09149E+06 ppm1      1.414 ppm2      4.045

 ASSI {   20}
   (( segid "   A" and resid 26   and name  1HB ))
   (( segid "   A" and resid 6    and name  QB  ))
      2.823     0.996     0.996 peak    20 weight  1.00000E+00 volume  4.81829E+05 ppm1      1.413 ppm2      3.131

 ASSI {   21}
   (( segid "   A" and resid 26   and name  2HB ))
   (( segid "   A" and resid 6    and name  QB  ))
      4.078     2.078     2.078 peak    21 weight  1.00000E+00 volume  5.31021E+04 ppm1      1.411 ppm2      2.519

 ASSI {   22}
   (( segid "   A" and resid 6    and name  QB  ))
   (( segid "   A" and resid 6    and name  H   ))
      2.005     0.503     0.503 peak    22 weight  1.00000E+00 volume  3.75502E+06 ppm1      1.413 ppm2      8.306

 ASSI {   23}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 25   and name  2HB ))
      3.187     1.269     1.269 peak    23 weight  1.00000E+00 volume  2.33122E+05 ppm1      4.484 ppm2      2.621
 OR {   23}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 25   and name  1HB ))

 ASSI {   24}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  2HB ))
      2.103     0.553     0.553 peak    24 weight  1.00000E+00 volume  2.82528E+06 ppm1      4.484 ppm2      1.643
 OR {   24}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  1HB ))

 ASSI {   26}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 8    and name  H   ))
      1.937     0.469     0.469 peak    26 weight  1.00000E+00 volume  4.61822E+06 ppm1      4.491 ppm2      8.196

 ASSI {   27}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  2HB ))
      2.408     0.725     0.725 peak    27 weight  1.00000E+00 volume  1.25287E+06 ppm1      1.656 ppm2      4.496

 ASSI {   28}
   (( segid "   A" and resid 8    and name  2HB ))
   (( segid "   A" and resid 8    and name  HA  ))
      2.470     0.762     0.762 peak    28 weight  1.00000E+00 volume  1.07575E+06 ppm1      3.059 ppm2      4.744

 ASSI {   29}
   (( segid "   A" and resid 8    and name  1HB ))
   (( segid "   A" and resid 13   and name  1HB ))
      2.259     0.638     0.638 peak    29 weight  1.00000E+00 volume  1.83712E+06 ppm1      3.230 ppm2      2.855

 ASSI {   30}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 8    and name  1HB ))
      2.434     0.741     0.741 peak    30 weight  1.00000E+00 volume  1.17383E+06 ppm1      3.230 ppm2      4.746

 ASSI {   31}
   (( segid "   A" and resid 8    and name  1HB ))
   (( segid "   A" and resid 9    and name  H   ))
      2.954     1.091     1.091 peak    31 weight  1.00000E+00 volume  3.67497E+05 ppm1      3.229 ppm2      9.644

 ASSI {   32}
   (( segid "   A" and resid 8    and name  2HB ))
   (( segid "   A" and resid 13   and name  1HB ))
      2.306     0.665     0.665 peak    32 weight  1.00000E+00 volume  1.62304E+06 ppm1      3.058 ppm2      2.873

 ASSI {   33}
   (( segid "   A" and resid 8    and name  2HB ))
   (( segid "   A" and resid 8    and name  1HB ))
      1.835     0.421     0.421 peak    33 weight  1.00000E+00 volume  6.39025E+06 ppm1      3.231 ppm2      3.074

 ASSI {   34}
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 9    and name  1HB ))
      2.102     0.552     0.552 peak    34 weight  1.00000E+00 volume  2.83344E+06 ppm1      4.568 ppm2      3.808
 OR {   34}
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 9    and name  2HB ))

 ASSI {   35}
   (( segid "   A" and resid 9    and name  H   ))
   (( segid "   A" and resid 9    and name  HA  ))
      2.849     1.015     1.015 peak    35 weight  1.00000E+00 volume  4.56474E+05 ppm1      4.575 ppm2      9.633

 ASSI {   36}
   (( segid "   A" and resid 9    and name  HA  ))
   (( segid "   A" and resid 10   and name  H   ))
      2.793     0.975     0.975 peak    36 weight  1.00000E+00 volume  5.14062E+05 ppm1      4.567 ppm2      7.916

 ASSI {   37}
   (( segid "   A" and resid 9    and name  2HB ))
   (( segid "   A" and resid 10   and name  QG2 ))
      2.948     1.087     1.087 peak    37 weight  1.00000E+00 volume  3.71529E+05 ppm1      3.805 ppm2      1.075

 ASSI {   38}
   (( segid "   A" and resid 9    and name  H   ))
   (( segid "   A" and resid 9    and name  2HB ))
      2.722     0.926     0.926 peak    38 weight  1.00000E+00 volume  6.00081E+05 ppm1      3.806 ppm2      9.647

 ASSI {   39}
   (( segid "   A" and resid 11   and name  1HB ))
   (( segid "   A" and resid 11   and name  2HG ))
      2.367     0.701     0.701 peak    39 weight  1.00000E+00 volume  1.38654E+06 ppm1      1.934 ppm2      1.212
 OR {   39}
   (( segid "   A" and resid 11   and name  1HB ))
   (( segid "   A" and resid 11   and name  1HG ))

 ASSI {   40}
   (( segid "   A" and resid 11   and name  1HB ))
   (( segid "   A" and resid 11   and name  2HB ))
      1.988     0.494     0.494 peak    40 weight  1.00000E+00 volume  3.95659E+06 ppm1      1.934 ppm2      1.689

 ASSI {   41}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 12   and name  2HB ))
      2.043     0.522     0.522 peak    41 weight  1.00000E+00 volume  3.36086E+06 ppm1      4.192 ppm2      3.787
 OR {   41}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 12   and name  1HB ))

 ASSI {   42}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 12   and name  H   ))
      2.836     1.005     1.005 peak    42 weight  1.00000E+00 volume  4.69653E+05 ppm1      4.191 ppm2      7.991

 ASSI {   43}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 13   and name  H   ))
      2.920     1.066     1.066 peak    43 weight  1.00000E+00 volume  3.93823E+05 ppm1      4.194 ppm2      7.588

 ASSI {   44}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 13   and name  2HB ))
      2.102     0.552     0.552 peak    44 weight  1.00000E+00 volume  2.83399E+06 ppm1      4.558 ppm2      2.951
 OR {   44}
   (( segid "   A" and resid 13   and name  1HB ))
   (( segid "   A" and resid 13   and name  HA  ))

 ASSI {   45}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 14   and name  H   ))
      2.748     0.944     0.944 peak    45 weight  1.00000E+00 volume  5.66344E+05 ppm1      4.521 ppm2      8.049

 ASSI {   46}
   (( segid "   A" and resid 13   and name  H   ))
   (( segid "   A" and resid 13   and name  HA  ))
      2.682     0.899     0.899 peak    46 weight  1.00000E+00 volume  6.55284E+05 ppm1      4.523 ppm2      7.584

 ASSI {   47}
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 15   and name  HA  ))
      3.065     1.174     1.174 peak    47 weight  1.00000E+00 volume  2.94370E+05 ppm1      5.173 ppm2      4.493
 OR {   47}
   (( segid "   A" and resid 13   and name  HA  ))
   (( segid "   A" and resid 14   and name  HA  ))

 ASSI {   48}
   (( segid "   A" and resid 2    and name  1HA ))
   (( segid "   A" and resid 14   and name  HA  ))
      2.906     1.055     1.055 peak    48 weight  1.00000E+00 volume  4.05742E+05 ppm1      5.171 ppm2      4.036

 ASSI {   49}
   (( segid "   A" and resid 2    and name  2HA ))
   (( segid "   A" and resid 14   and name  HA  ))
      2.479     0.768     0.768 peak    49 weight  1.00000E+00 volume  1.05290E+06 ppm1      5.171 ppm2      3.640

 ASSI {   50}
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 14   and name  1HB ))
      2.169     0.588     0.588 peak    50 weight  1.00000E+00 volume  2.34587E+06 ppm1      5.172 ppm2      3.050

 ASSI {   51}
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 14   and name  2HB ))
      2.365     0.699     0.699 peak    51 weight  1.00000E+00 volume  1.39354E+06 ppm1      5.170 ppm2      2.620

 ASSI {   52}
   (( segid "   A" and resid 2    and name  H   ))
   (( segid "   A" and resid 14   and name  HA  ))
      2.179     0.594     0.594 peak    52 weight  1.00000E+00 volume  2.28002E+06 ppm1      5.172 ppm2      8.419

 ASSI {   53}
   (( segid "   A" and resid 14   and name  H   ))
   (( segid "   A" and resid 14   and name  HA  ))
      2.648     0.876     0.876 peak    53 weight  1.00000E+00 volume  7.08654E+05 ppm1      5.174 ppm2      8.025

 ASSI {   54}
   (( segid "   A" and resid 11   and name  2HB ))
   (( segid "   A" and resid 14   and name  2HB ))
      3.278     1.344     1.344 peak    54 weight  1.00000E+00 volume  1.96585E+05 ppm1      2.625 ppm2      1.651

 ASSI {   55}
   (( segid "   A" and resid 2    and name  2HA ))
   (( segid "   A" and resid 14   and name  2HB ))
      3.011     1.133     1.133 peak    55 weight  1.00000E+00 volume  3.27519E+05 ppm1      2.622 ppm2      3.753

 ASSI {   56}
   (( segid "   A" and resid 14   and name  1HB ))
   (( segid "   A" and resid 14   and name  2HB ))
      2.133     0.569     0.569 peak    56 weight  1.00000E+00 volume  2.59468E+06 ppm1      2.619 ppm2      3.066

 ASSI {   57}
   (( segid "   A" and resid 14   and name  2HB ))
   (( segid "   A" and resid 15   and name  H   ))
      5.655     3.997     3.997 peak    57 weight  1.00000E+00 volume  7.46719E+03 ppm1      2.623 ppm2      9.349

 ASSI {   58}
   (( segid "   A" and resid 14   and name  1HB ))
   (( segid "   A" and resid 18   and name  1HB ))
      2.363     0.698     0.698 peak    58 weight  1.00000E+00 volume  1.40312E+06 ppm1      3.042 ppm2      1.895

 ASSI {   59}
   (( segid "   A" and resid 14   and name  1HB ))
   (( segid "   A" and resid 18   and name  2HB ))
      2.589     0.838     0.838 peak    59 weight  1.00000E+00 volume  8.09788E+05 ppm1      3.040 ppm2      1.167

 ASSI {   60}
   (( segid "   A" and resid 18   and name  QD2 ))
   (( segid "   A" and resid 14   and name  1HB ))
      2.999     1.124     1.124 peak    60 weight  1.00000E+00 volume  3.35427E+05 ppm1      3.043 ppm2      0.658

 ASSI {   61}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 15   and name  1HB ))
      2.161     0.584     0.584 peak    61 weight  1.00000E+00 volume  2.39482E+06 ppm1      4.438 ppm2      3.285

 ASSI {   62}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 15   and name  2HB ))
      2.421     0.733     0.733 peak    62 weight  1.00000E+00 volume  1.21229E+06 ppm1      4.435 ppm2      2.398

 ASSI {   63}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 15   and name  H   ))
      2.467     0.761     0.761 peak    63 weight  1.00000E+00 volume  1.08307E+06 ppm1      4.439 ppm2      9.358

 ASSI {   64}
   (( segid "   A" and resid 15   and name  HA  ))
   (( segid "   A" and resid 16   and name  H   ))
      2.371     0.703     0.703 peak    64 weight  1.00000E+00 volume  1.37256E+06 ppm1      4.438 ppm2      8.494

 ASSI {   65}
   (( segid "   A" and resid 20   and name  1HB ))
   (( segid "   A" and resid 20   and name  2HB ))
      1.864     0.434     0.434 peak    65 weight  1.00000E+00 volume  5.82337E+06 ppm1      2.397 ppm2      2.742

 ASSI {   66}
   (( segid "   A" and resid 15   and name  1HB ))
   (( segid "   A" and resid 15   and name  2HB ))
      1.816     0.412     0.412 peak    66 weight  1.00000E+00 volume  6.79557E+06 ppm1      3.282 ppm2      2.399

 ASSI {   67}
   (( segid "   A" and resid 18   and name  QD2 ))
   (( segid "   A" and resid 15   and name  1HB ))
      2.761     0.953     0.953 peak    67 weight  1.00000E+00 volume  5.50748E+05 ppm1      3.279 ppm2      0.654

 ASSI {   68}
   (( segid "   A" and resid 15   and name  H   ))
   (( segid "   A" and resid 15   and name  1HB ))
      2.916     1.063     1.063 peak    68 weight  1.00000E+00 volume  3.97120E+05 ppm1      3.284 ppm2      9.368

 ASSI {   69}
   (( segid "   A" and resid 18   and name  2HB ))
   (( segid "   A" and resid 18   and name  HA  ))
      2.670     0.891     0.891 peak    69 weight  1.00000E+00 volume  6.74442E+05 ppm1      1.166 ppm2      4.692

 ASSI {   70}
   (( segid "   A" and resid 18   and name  1HB ))
   (( segid "   A" and resid 18   and name  2HB ))
      2.052     0.526     0.526 peak    70 weight  1.00000E+00 volume  3.27358E+06 ppm1      1.164 ppm2      1.895

 ASSI {   71}
   (( segid "   A" and resid 18   and name  QD2 ))
   (( segid "   A" and resid 18   and name  1HB ))
      2.724     0.927     0.927 peak    71 weight  1.00000E+00 volume  5.97561E+05 ppm1      1.888 ppm2      0.656

 ASSI {   72}
   (( segid "   A" and resid 14   and name  2HB ))
   (( segid "   A" and resid 18   and name  1HB ))
      2.726     0.929     0.929 peak    72 weight  1.00000E+00 volume  5.94476E+05 ppm1      1.890 ppm2      2.597

 ASSI {   73}
   (( segid "   A" and resid 20   and name  1HB ))
   (( segid "   A" and resid 20   and name  HA  ))
      2.310     0.667     0.667 peak    73 weight  1.00000E+00 volume  1.60808E+06 ppm1      5.100 ppm2      2.404

 ASSI {   74}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 21   and name  H   ))
      2.031     0.516     0.516 peak    74 weight  1.00000E+00 volume  3.47463E+06 ppm1      5.101 ppm2      9.262

 ASSI {   75}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 20   and name  H   ))
      2.693     0.906     0.906 peak    75 weight  1.00000E+00 volume  6.40677E+05 ppm1      5.102 ppm2      8.562

 ASSI {   76}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 26   and name  HA  ))
      2.244     0.630     0.630 peak    76 weight  1.00000E+00 volume  1.90975E+06 ppm1      5.101 ppm2      5.496

 ASSI {   77}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 23   and name  2HB ))
      1.950     0.475     0.475 peak    77 weight  1.00000E+00 volume  4.44087E+06 ppm1      4.468 ppm2      3.793

 ASSI {   78}
   (( segid "   A" and resid 21   and name  H   ))
   (( segid "   A" and resid 21   and name  HA  ))
      2.541     0.807     0.807 peak    78 weight  1.00000E+00 volume  9.06083E+05 ppm1      4.458 ppm2      9.263

 ASSI {   79}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 27   and name  QE  ))
      2.237     0.625     0.625 peak    79 weight  1.00000E+00 volume  1.94978E+06 ppm1      4.458 ppm2      6.482

 ASSI {   80}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 21   and name  1HB ))
      2.511     0.788     0.788 peak    80 weight  1.00000E+00 volume  9.74895E+05 ppm1      3.795 ppm2      4.466

 ASSI {   81}
   (( segid "   A" and resid 21   and name  1HB ))
   (( segid "   A" and resid 21   and name  2HB ))
      1.968     0.484     0.484 peak    81 weight  1.00000E+00 volume  4.19835E+06 ppm1      3.792 ppm2      4.071

 ASSI {   82}
   (( segid "   A" and resid 21   and name  H   ))
   (( segid "   A" and resid 21   and name  1HB ))
      2.643     0.873     0.873 peak    82 weight  1.00000E+00 volume  7.16063E+05 ppm1      3.794 ppm2      9.260

 ASSI {   83}
   (( segid "   A" and resid 21   and name  1HB ))
   (( segid "   A" and resid 27   and name  QD  ))
      2.752     0.946     0.946 peak    83 weight  1.00000E+00 volume  5.62522E+05 ppm1      3.789 ppm2      7.179

 ASSI {   84}
   (( segid "   A" and resid 27   and name  QE  ))
   (( segid "   A" and resid 21   and name  1HB ))
      3.294     1.356     1.356 peak    84 weight  1.00000E+00 volume  1.91212E+05 ppm1      3.803 ppm2      6.497

 ASSI {   85}
   (( segid "   A" and resid 24   and name  1HA ))
   (( segid "   A" and resid 24   and name  2HA ))
      1.739     0.378     0.378 peak    85 weight  1.00000E+00 volume  8.81411E+06 ppm1      3.751 ppm2      3.915

 ASSI {   86}
   (( segid "   A" and resid 24   and name  2HA ))
   (( segid "   A" and resid 24   and name  H   ))
      2.438     0.743     0.743 peak    86 weight  1.00000E+00 volume  1.16279E+06 ppm1      3.911 ppm2      8.093

 ASSI {   87}
   (( segid "   A" and resid 24   and name  2HA ))
   (( segid "   A" and resid 25   and name  H   ))
      3.704     1.715     1.715 peak    87 weight  1.00000E+00 volume  9.45149E+04 ppm1      3.916 ppm2      7.598

 ASSI {   88}
   (( segid "   A" and resid 25   and name  1HB ))
   (( segid "   A" and resid 25   and name  HA  ))
      2.049     0.525     0.525 peak    88 weight  1.00000E+00 volume  3.30327E+06 ppm1      5.546 ppm2      2.632
 OR {   88}
   (( segid "   A" and resid 25   and name  2HB ))
   (( segid "   A" and resid 25   and name  HA  ))

 ASSI {   89}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 26   and name  H   ))
      2.024     0.512     0.512 peak    89 weight  1.00000E+00 volume  3.55026E+06 ppm1      5.545 ppm2      9.342

 ASSI {   90}
   (( segid "   A" and resid 8    and name  H   ))
   (( segid "   A" and resid 25   and name  HA  ))
      2.535     0.803     0.803 peak    90 weight  1.00000E+00 volume  9.20678E+05 ppm1      5.545 ppm2      8.191

 ASSI {   91}
   (( segid "   A" and resid 25   and name  H   ))
   (( segid "   A" and resid 25   and name  HA  ))
      2.675     0.894     0.894 peak    91 weight  1.00000E+00 volume  6.66382E+05 ppm1      5.543 ppm2      7.606

 ASSI {   92}
   (( segid "   A" and resid 25   and name  HA  ))
   (( segid "   A" and resid 25   and name  HD2 ))
      3.040     1.155     1.155 peak    92 weight  1.00000E+00 volume  3.09402E+05 ppm1      5.552 ppm2      6.784

 ASSI {   93}
   (( segid "   A" and resid 25   and name  2HB ))
   (( segid "   A" and resid 25   and name  H   ))
      3.036     1.152     1.152 peak    93 weight  1.00000E+00 volume  3.11555E+05 ppm1      2.633 ppm2      7.628

 ASSI {   94}
   (( segid "   A" and resid 25   and name  2HB ))
   (( segid "   A" and resid 25   and name  HA  ))
      2.450     0.751     0.751 peak    94 weight  1.00000E+00 volume  1.12736E+06 ppm1      2.632 ppm2      5.545

 ASSI {   95}
   (( segid "   A" and resid 26   and name  1HB ))
   (( segid "   A" and resid 26   and name  HA  ))
      2.466     0.760     0.760 peak    95 weight  1.00000E+00 volume  1.08437E+06 ppm1      5.499 ppm2      3.123

 ASSI {   96}
   (( segid "   A" and resid 26   and name  2HB ))
   (( segid "   A" and resid 26   and name  HA  ))
      2.204     0.607     0.607 peak    96 weight  1.00000E+00 volume  2.13028E+06 ppm1      5.501 ppm2      2.551

 ASSI {   97}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 27   and name  H   ))
      1.983     0.491     0.491 peak    97 weight  1.00000E+00 volume  4.02033E+06 ppm1      5.498 ppm2     10.029

 ASSI {   98}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 27   and name  QD  ))
      2.841     1.009     1.009 peak    98 weight  1.00000E+00 volume  4.64680E+05 ppm1      5.497 ppm2      7.186

 ASSI {   99}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 26   and name  H   ))
      2.302     0.662     0.662 peak    99 weight  1.00000E+00 volume  1.64187E+06 ppm1      5.504 ppm2      9.332

 ASSI {  100}
   (( segid "   A" and resid 26   and name  2HB ))
   (( segid "   A" and resid 18   and name  1HB ))
      6.804     5.786     5.786 peak   100 weight  1.00000E+00 volume  2.46094E+03 ppm1      2.544 ppm2      1.903

 ASSI {  101}
   (( segid "   A" and resid 26   and name  2HB ))
   (( segid "   A" and resid 18   and name  2HB ))
      2.766     0.956     0.956 peak   101 weight  1.00000E+00 volume  5.45337E+05 ppm1      2.541 ppm2      1.172

 ASSI {  102}
   (( segid "   A" and resid 26   and name  1HB ))
   (( segid "   A" and resid 26   and name  2HB ))
      1.979     0.489     0.489 peak   102 weight  1.00000E+00 volume  4.06664E+06 ppm1      2.541 ppm2      3.147

 ASSI {  103}
   (( segid "   A" and resid 26   and name  2HB ))
   (( segid "   A" and resid 26   and name  H   ))
      3.242     1.314     1.314 peak   103 weight  1.00000E+00 volume  2.10067E+05 ppm1      2.543 ppm2      9.334

 ASSI {  104}
   (( segid "   A" and resid 26   and name  2HB ))
   (( segid "   A" and resid 20   and name  HA  ))
      3.455     1.492     1.492 peak   104 weight  1.00000E+00 volume  1.43562E+05 ppm1      2.538 ppm2      5.168

 ASSI {  105}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 27   and name  HA  ))
      2.706     0.916     0.916 peak   105 weight  1.00000E+00 volume  6.21205E+05 ppm1      4.959 ppm2      3.544

 ASSI {  106}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 27   and name  2HB ))
      1.848     0.427     0.427 peak   106 weight  1.00000E+00 volume  6.11928E+06 ppm1      4.957 ppm2      2.995
 OR {  106}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 27   and name  1HB ))

 ASSI {  107}
   (( segid "   A" and resid 4    and name  QB  ))
   (( segid "   A" and resid 27   and name  HA  ))
      2.705     0.914     0.914 peak   107 weight  1.00000E+00 volume  6.23411E+05 ppm1      4.958 ppm2      1.292

 ASSI {  108}
   (( segid "   A" and resid 27   and name  H   ))
   (( segid "   A" and resid 27   and name  HA  ))
      2.684     0.901     0.901 peak   108 weight  1.00000E+00 volume  6.52400E+05 ppm1      4.956 ppm2     10.033

 ASSI {  109}
   (( segid "   A" and resid 5    and name  H   ))
   (( segid "   A" and resid 27   and name  HA  ))
      3.321     1.379     1.379 peak   109 weight  1.00000E+00 volume  1.81893E+05 ppm1      4.956 ppm2      9.147

 ASSI {  110}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 28   and name  H   ))
      2.362     0.697     0.697 peak   110 weight  1.00000E+00 volume  1.40585E+06 ppm1      4.957 ppm2      8.675

 ASSI {  111}
   (( segid "   A" and resid 27   and name  HA  ))
   (( segid "   A" and resid 27   and name  2HB ))
      2.119     0.561     0.561 peak   111 weight  1.00000E+00 volume  2.69824E+06 ppm1      2.993 ppm2      4.957

 ASSI {  112}
   (( segid "   A" and resid 27   and name  H   ))
   (( segid "   A" and resid 27   and name  2HB ))
      3.002     1.126     1.126 peak   112 weight  1.00000E+00 volume  3.33531E+05 ppm1      2.993 ppm2     10.024

 ASSI {  113}
   (( segid "   A" and resid 27   and name  QD  ))
   (( segid "   A" and resid 27   and name  2HB ))
      2.193     0.601     0.601 peak   113 weight  1.00000E+00 volume  2.19688E+06 ppm1      2.993 ppm2      7.181

 ASSI {  114}
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 30   and name  1HD ))
      3.048     1.161     1.161 peak   114 weight  1.00000E+00 volume  3.04351E+05 ppm1      4.135 ppm2      3.001
 OR {  114}
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 30   and name  2HD ))

 ASSI {  115}
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 30   and name  2HG ))
      2.443     0.746     0.746 peak   115 weight  1.00000E+00 volume  1.14907E+06 ppm1      4.141 ppm2      1.338
 OR {  115}
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 30   and name  1HG ))

 ASSI {  116}
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 30   and name  2HB ))
      2.940     1.080     1.080 peak   116 weight  1.00000E+00 volume  3.78259E+05 ppm1      1.502 ppm2      4.132

 ASSI {  117}
   (( segid "   A" and resid 30   and name  2HD ))
   (( segid "   A" and resid 30   and name  2HB ))
      3.120     1.217     1.217 peak   117 weight  1.00000E+00 volume  2.64747E+05 ppm1      1.512 ppm2      2.991
 OR {  117}
   (( segid "   A" and resid 30   and name  1HD ))
   (( segid "   A" and resid 30   and name  2HB ))

 ASSI {  118}
   (( segid "   A" and resid 30   and name  HA  ))
   (( segid "   A" and resid 30   and name  1HB ))
      3.020     1.140     1.140 peak   118 weight  1.00000E+00 volume  3.21735E+05 ppm1      1.574 ppm2      4.141

 ASSI {  119}
   (( segid "   A" and resid 18   and name  QD1 ))
   (( segid "   A" and resid 18   and name  QD2 ))
      2.532     0.802     0.802 peak   119 weight  1.00000E+00 volume  9.25561E+05 ppm1      0.658 ppm2      0.244

 ASSI {  120}
   (( segid "   A" and resid 18   and name  QD2 ))
   (( segid "   A" and resid 3    and name  1HA ))
      2.598     0.844     0.844 peak   120 weight  1.00000E+00 volume  7.93326E+05 ppm1      0.656 ppm2      4.060

 ASSI {  121}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 18   and name  QD2 ))
      2.736     0.936     0.936 peak   121 weight  1.00000E+00 volume  5.81971E+05 ppm1      0.656 ppm2      3.534
 OR {  121}
   (( segid "   A" and resid 18   and name  QD2 ))
   (( segid "   A" and resid 3    and name  2HA ))

 ASSI {  122}
   (( segid "   A" and resid 18   and name  QD2 ))
   (( segid "   A" and resid 15   and name  2HB ))
      2.551     0.813     0.813 peak   122 weight  1.00000E+00 volume  8.86120E+05 ppm1      0.660 ppm2      2.402

 ASSI {  123}
   (( segid "   A" and resid 18   and name  QD2 ))
   (( segid "   A" and resid 18   and name  2HB ))
      2.661     0.885     0.885 peak   123 weight  1.00000E+00 volume  6.87400E+05 ppm1      0.658 ppm2      1.193

 ASSI {  124}
   (( segid "   A" and resid 30   and name  2HD ))
   (( segid "   A" and resid 30   and name  1HG ))
      2.792     0.975     0.975 peak   124 weight  1.00000E+00 volume  5.14830E+05 ppm1      1.312 ppm2      2.981
 OR {  124}
   (( segid "   A" and resid 30   and name  2HD ))
   (( segid "   A" and resid 30   and name  2HG ))
 OR {  124}
   (( segid "   A" and resid 30   and name  1HD ))
   (( segid "   A" and resid 30   and name  1HG ))
 OR {  124}
   (( segid "   A" and resid 30   and name  1HD ))
   (( segid "   A" and resid 30   and name  2HG ))

 ASSI {  125}
   (( segid "   A" and resid 29   and name  2HB ))
   (( segid "   A" and resid 29   and name  1HG ))
      2.715     0.921     0.921 peak   125 weight  1.00000E+00 volume  6.09675E+05 ppm1      1.904 ppm2      2.153
 OR {  125}
   (( segid "   A" and resid 29   and name  2HB ))
   (( segid "   A" and resid 29   and name  2HG ))

 ASSI {  126}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 7    and name  2HG ))
      2.993     1.120     1.120 peak   126 weight  1.00000E+00 volume  3.39782E+05 ppm1      1.350 ppm2      4.216

 ASSI {  127}
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 16   and name  2HB ))
      1.946     0.474     0.474 peak   127 weight  1.00000E+00 volume  4.49023E+06 ppm1      3.981 ppm2      3.766
 OR {  127}
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 16   and name  1HB ))

 ASSI {  128}
   (( segid "   A" and resid 16   and name  H   ))
   (( segid "   A" and resid 16   and name  HA  ))
      2.706     0.915     0.915 peak   128 weight  1.00000E+00 volume  6.22310E+05 ppm1      3.983 ppm2      8.508

 ASSI {  129}
   (( segid "   A" and resid 19   and name  1HB ))
   (( segid "   A" and resid 19   and name  HA  ))
      2.809     0.986     0.986 peak   129 weight  1.00000E+00 volume  4.96886E+05 ppm1      2.332 ppm2      4.480

 ASSI {  130}
   (( segid "   A" and resid 19   and name  1HB ))
   (( segid "   A" and resid 19   and name  2HB ))
      1.927     0.464     0.464 peak   130 weight  1.00000E+00 volume  4.77158E+06 ppm1      3.079 ppm2      2.337

 ASSI {  131}
   (( segid "   A" and resid 19   and name  2HB ))
   (( segid "   A" and resid 19   and name  HA  ))
      2.526     0.797     0.797 peak   131 weight  1.00000E+00 volume  9.40079E+05 ppm1      3.080 ppm2      4.474

 ASSI {  132}
   (( segid "   A" and resid 20   and name  2HB ))
   (( segid "   A" and resid 11   and name  HA  ))
      2.658     0.883     0.883 peak   132 weight  1.00000E+00 volume  6.92849E+05 ppm1      3.655 ppm2      2.747

 ASSI {  133}
   (( segid "   A" and resid 20   and name  1HB ))
   (( segid "   A" and resid 11   and name  HA  ))
      2.368     0.701     0.701 peak   133 weight  1.00000E+00 volume  1.38427E+06 ppm1      3.656 ppm2      2.400

 ASSI {  134}
   (( segid "   A" and resid 11   and name  1HB ))
   (( segid "   A" and resid 11   and name  HA  ))
      2.261     0.639     0.639 peak   134 weight  1.00000E+00 volume  1.82746E+06 ppm1      3.656 ppm2      1.939

 ASSI {  135}
   (( segid "   A" and resid 11   and name  2HB ))
   (( segid "   A" and resid 11   and name  HA  ))
      2.473     0.765     0.765 peak   135 weight  1.00000E+00 volume  1.06624E+06 ppm1      3.655 ppm2      1.692

 ASSI {  136}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 11   and name  HA  ))
      2.846     1.013     1.013 peak   136 weight  1.00000E+00 volume  4.59147E+05 ppm1      3.659 ppm2      4.474

 ASSI {  137}
   (( segid "   A" and resid 20   and name  H   ))
   (( segid "   A" and resid 11   and name  HA  ))
      2.837     1.006     1.006 peak   137 weight  1.00000E+00 volume  4.68018E+05 ppm1      3.657 ppm2      8.553

 ASSI {  138}
   (( segid "   A" and resid 14   and name  H   ))
   (( segid "   A" and resid 11   and name  HA  ))
      3.208     1.287     1.287 peak   138 weight  1.00000E+00 volume  2.23876E+05 ppm1      3.659 ppm2      8.041

 ASSI {  139}
   (( segid "   A" and resid 28   and name  1HB ))
   (( segid "   A" and resid 28   and name  HA  ))
      2.635     0.868     0.868 peak   139 weight  1.00000E+00 volume  7.28730E+05 ppm1      2.889 ppm2      4.550

 ASSI {  140}
   (( segid "   A" and resid 11   and name  1HB ))
   (( segid "   A" and resid 11   and name  1HD ))
      3.073     1.180     1.180 peak   140 weight  1.00000E+00 volume  2.89837E+05 ppm1      1.189 ppm2      1.918

 ASSI {  141}
   (( segid "   A" and resid 11   and name  2HB ))
   (( segid "   A" and resid 11   and name  1HD ))
      2.946     1.085     1.085 peak   141 weight  1.00000E+00 volume  3.73761E+05 ppm1      1.186 ppm2      1.723
 OR {  141}
   (( segid "   A" and resid 11   and name  2HB ))
   (( segid "   A" and resid 11   and name  2HD ))

 ASSI {  142}
   (( segid "   A" and resid 30   and name  1HB ))
   (( segid "   A" and resid 32   and name  QG2 ))
      3.717     1.727     1.727 peak   142 weight  1.00000E+00 volume  9.25645E+04 ppm1      1.037 ppm2      1.573
 OR {  142}
   (( segid "   A" and resid 30   and name  2HB ))
   (( segid "   A" and resid 32   and name  QG2 ))

 ASSI {  143}
   (( segid "   A" and resid 31   and name  HA  ))
   (( segid "   A" and resid 31   and name  1HB ))
      2.292     0.657     0.657 peak   143 weight  1.00000E+00 volume  1.68414E+06 ppm1      4.566 ppm2      3.061

 ASSI {  144}
   (( segid "   A" and resid 31   and name  HA  ))
   (( segid "   A" and resid 31   and name  2HB ))
      2.538     0.805     0.805 peak   144 weight  1.00000E+00 volume  9.14153E+05 ppm1      4.564 ppm2      2.809

 ASSI {  145}
   (( segid "   A" and resid 30   and name  1HB ))
   (( segid "   A" and resid 31   and name  HA  ))
      3.786     1.792     1.792 peak   145 weight  1.00000E+00 volume  8.28969E+04 ppm1      4.566 ppm2      1.605

 ASSI {  146}
   (( segid "   A" and resid 19   and name  2HB ))
   (( segid "   A" and resid 29   and name  HA  ))
      4.709     2.771     2.771 peak   146 weight  1.00000E+00 volume  2.23999E+04 ppm1      4.354 ppm2      3.051

 ASSI {  147}
   (( segid "   A" and resid 29   and name  2HB ))
   (( segid "   A" and resid 29   and name  HA  ))
      2.400     0.720     0.720 peak   147 weight  1.00000E+00 volume  1.27884E+06 ppm1      4.352 ppm2      2.171

 ASSI {  148}
   (( segid "   A" and resid 32   and name  QG2 ))
   (( segid "   A" and resid 32   and name  HA  ))
      2.950     1.088     1.088 peak   148 weight  1.00000E+00 volume  3.70492E+05 ppm1      4.040 ppm2      1.033

 ASSI {  149}
   (( segid "   A" and resid 11   and name  2HB ))
   (( segid "   A" and resid 11   and name  2HG ))
      2.974     1.106     1.106 peak   149 weight  1.00000E+00 volume  3.52576E+05 ppm1      1.184 ppm2      1.694
 OR {  149}
   (( segid "   A" and resid 11   and name  2HB ))
   (( segid "   A" and resid 11   and name  1HG ))

 ASSI {  150}
   (( segid "   A" and resid 31   and name  2HB ))
   (( segid "   A" and resid 31   and name  QD  ))
      2.814     0.990     0.990 peak   150 weight  1.00000E+00 volume  4.91448E+05 ppm1      2.792 ppm2      7.021

 ASSI {  151}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  1HD ))
      3.098     1.200     1.200 peak   151 weight  1.00000E+00 volume  2.75874E+05 ppm1      1.584 ppm2      4.511
 OR {  151}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 7    and name  2HD ))

 ASSI {  152}
   (( segid "   A" and resid 7    and name  2HG ))
   (( segid "   A" and resid 7    and name  2HD ))
      1.919     0.460     0.460 peak   152 weight  1.00000E+00 volume  4.88890E+06 ppm1      1.585 ppm2      1.334
 OR {  152}
   (( segid "   A" and resid 7    and name  2HG ))
   (( segid "   A" and resid 7    and name  1HD ))

 ASSI {  153}
   (( segid "   A" and resid 29   and name  2HG ))
   (( segid "   A" and resid 29   and name  2HD ))
      2.369     0.701     0.701 peak   153 weight  1.00000E+00 volume  1.38251E+06 ppm1      3.655 ppm2      1.895
 OR {  153}
   (( segid "   A" and resid 29   and name  2HG ))
   (( segid "   A" and resid 29   and name  1HD ))
 OR {  153}
   (( segid "   A" and resid 29   and name  1HG ))
   (( segid "   A" and resid 29   and name  2HD ))
 OR {  153}
   (( segid "   A" and resid 29   and name  1HG ))
   (( segid "   A" and resid 29   and name  1HD ))

 ASSI {  154}
   (( segid "   A" and resid 18   and name  QD1 ))
   (( segid "   A" and resid 18   and name  HA  ))
      2.508     0.786     0.786 peak   154 weight  1.00000E+00 volume  9.81260E+05 ppm1      0.253 ppm2      4.679

 ASSI {  155}
   (( segid "   A" and resid 26   and name  2HB ))
   (( segid "   A" and resid 18   and name  QD1 ))
      3.106     1.206     1.206 peak   155 weight  1.00000E+00 volume  2.71645E+05 ppm1      0.256 ppm2      2.559

 ASSI {  156}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 21   and name  2HB ))
      2.519     0.793     0.793 peak   156 weight  1.00000E+00 volume  9.55445E+05 ppm1      4.067 ppm2      4.463

 ASSI {  157}
   (( segid "   A" and resid 30   and name  2HD ))
   (( segid "   A" and resid 30   and name  1HB ))
      2.530     0.800     0.800 peak   157 weight  1.00000E+00 volume  9.31015E+05 ppm1      2.985 ppm2      1.556
 OR {  157}
   (( segid "   A" and resid 30   and name  1HD ))
   (( segid "   A" and resid 30   and name  1HB ))

 ASSI {  158}
   (( segid "   A" and resid 30   and name  1HD ))
   (( segid "   A" and resid 30   and name  2HG ))
      2.521     0.794     0.794 peak   158 weight  1.00000E+00 volume  9.50743E+05 ppm1      2.981 ppm2      1.366
 OR {  158}
   (( segid "   A" and resid 30   and name  2HD ))
   (( segid "   A" and resid 30   and name  2HG ))

 ASSI {  159}
   (( segid "   A" and resid 31   and name  1HB ))
   (( segid "   A" and resid 31   and name  2HB ))
      1.806     0.407     0.407 peak   159 weight  1.00000E+00 volume  7.04579E+06 ppm1      3.057 ppm2      2.796

 ASSI {  160}
   (( segid "   A" and resid 31   and name  1HB ))
   (( segid "   A" and resid 31   and name  QD  ))
      2.821     0.995     0.995 peak   160 weight  1.00000E+00 volume  4.84473E+05 ppm1      3.056 ppm2      7.016

 ASSI {  161}
   (( segid "   A" and resid 18   and name  QD2 ))
   (( segid "   A" and resid 18   and name  HG  ))
      3.062     1.172     1.172 peak   161 weight  1.00000E+00 volume  2.96240E+05 ppm1      1.056 ppm2      0.663

 ASSI {  162}
   (( segid "   A" and resid 18   and name  QD1 ))
   (( segid "   A" and resid 18   and name  HG  ))
      2.444     0.747     0.747 peak   162 weight  1.00000E+00 volume  1.14490E+06 ppm1      1.047 ppm2      0.257

 ASSI {  163}
   (( segid "   A" and resid 18   and name  1HB ))
   (( segid "   A" and resid 18   and name  HG  ))
      2.537     0.804     0.804 peak   163 weight  1.00000E+00 volume  9.16048E+05 ppm1      1.050 ppm2      1.894

 ASSI {  164}
   (( segid "   A" and resid 8    and name  1HB ))
   (( segid "   A" and resid 20   and name  1HB ))
      3.282     1.346     1.346 peak   164 weight  1.00000E+00 volume  1.95379E+05 ppm1      3.224 ppm2      2.386

 ASSI {  165}
   (( segid "   A" and resid 8    and name  2HB ))
   (( segid "   A" and resid 20   and name  1HB ))
      3.315     1.374     1.374 peak   165 weight  1.00000E+00 volume  1.83807E+05 ppm1      3.055 ppm2      2.393

 ASSI {  166}
   (( segid "   A" and resid 17   and name  1HA ))
   (( segid "   A" and resid 18   and name  H   ))
      3.266     1.333     1.333 peak   166 weight  1.00000E+00 volume  2.01208E+05 ppm1      3.567 ppm2      7.711

 ASSI {  167}
   (( segid "   A" and resid 18   and name  QD1 ))
   (( segid "   A" and resid 19   and name  H   ))
      3.141     1.233     1.233 peak   167 weight  1.00000E+00 volume  2.54311E+05 ppm1      0.249 ppm2      8.649

 ASSI {  168}
   (( segid "   A" and resid 18   and name  QD1 ))
   (( segid "   A" and resid 18   and name  H   ))
      3.554     1.579     1.579 peak   168 weight  1.00000E+00 volume  1.21105E+05 ppm1      0.261 ppm2      7.746

 ASSI {  169}
   (( segid "   A" and resid 21   and name  H   ))
   (( segid "   A" and resid 21   and name  2HB ))
      2.978     1.109     1.109 peak   169 weight  1.00000E+00 volume  3.49811E+05 ppm1      4.065 ppm2      9.279

 ASSI {  170}
   (( segid "   A" and resid 21   and name  2HB ))
   (( segid "   A" and resid 27   and name  QD  ))
      3.135     1.229     1.229 peak   170 weight  1.00000E+00 volume  2.57075E+05 ppm1      4.066 ppm2      7.183

 ASSI {  171}
   (( segid "   A" and resid 27   and name  QE  ))
   (( segid "   A" and resid 21   and name  2HB ))
      3.449     1.487     1.487 peak   171 weight  1.00000E+00 volume  1.44978E+05 ppm1      4.068 ppm2      6.492

 ASSI {  172}
   (( segid "   A" and resid 28   and name  2HB ))
   (( segid "   A" and resid 28   and name  HA  ))
      2.741     0.939     0.939 peak   172 weight  1.00000E+00 volume  5.75448E+05 ppm1      2.970 ppm2      4.557

 ASSI {  173}
   (( segid "   A" and resid 28   and name  H   ))
   (( segid "   A" and resid 28   and name  2HB ))
      3.302     1.363     1.363 peak   173 weight  1.00000E+00 volume  1.88286E+05 ppm1      2.970 ppm2      8.658

 ASSI {  174}
   (( segid "   A" and resid 7    and name  1HB ))
   (( segid "   A" and resid 8    and name  HA  ))
      4.086     2.087     2.087 peak   174 weight  1.00000E+00 volume  5.24212E+04 ppm1      1.659 ppm2      4.715
 OR {  174}
   (( segid "   A" and resid 7    and name  2HB ))
   (( segid "   A" and resid 8    and name  HA  ))

 ASSI {  175}
   (( segid "   A" and resid 5    and name  2HA ))
   (( segid "   A" and resid 25   and name  2HB ))
      2.835     1.005     1.005 peak   175 weight  1.00000E+00 volume  4.70295E+05 ppm1      2.630 ppm2      3.534

 ASSI {  176}
   (( segid "   A" and resid 4    and name  H   ))
   (( segid "   A" and resid 3    and name  2HA ))
      2.353     0.692     0.692 peak   176 weight  1.00000E+00 volume  1.43928E+06 ppm1      3.522 ppm2      8.416

 ASSI {  177}
   (( segid "   A" and resid 3    and name  1HA ))
   (( segid "   A" and resid 3    and name  2HA ))
      1.876     0.440     0.440 peak   177 weight  1.00000E+00 volume  5.60011E+06 ppm1      3.516 ppm2      4.061

 ASSI {  178}
   (( segid "   A" and resid 18   and name  QD2 ))
   (( segid "   A" and resid 3    and name  2HA ))
      3.074     1.181     1.181 peak   178 weight  1.00000E+00 volume  2.89200E+05 ppm1      3.514 ppm2      0.649

 ASSI {  179}
   (( segid "   A" and resid 18   and name  QD1 ))
   (( segid "   A" and resid 3    and name  1HA ))
      3.220     1.296     1.296 peak   179 weight  1.00000E+00 volume  2.18942E+05 ppm1      4.062 ppm2      0.257

 ASSI {  180}
   (( segid "   A" and resid 18   and name  1HB ))
   (( segid "   A" and resid 19   and name  H   ))
      3.255     1.324     1.324 peak   180 weight  1.00000E+00 volume  2.05420E+05 ppm1      1.893 ppm2      8.658

 ASSI {  181}
   (( segid "   A" and resid 18   and name  2HB ))
   (( segid "   A" and resid 18   and name  H   ))
      3.134     1.228     1.228 peak   181 weight  1.00000E+00 volume  2.57478E+05 ppm1      1.159 ppm2      7.724

 ASSI {  182}
   (( segid "   A" and resid 18   and name  1HB ))
   (( segid "   A" and resid 18   and name  HA  ))
      2.966     1.100     1.100 peak   182 weight  1.00000E+00 volume  3.58266E+05 ppm1      1.895 ppm2      4.697

 ASSI {  183}
   (( segid "   A" and resid 18   and name  QD1 ))
   (( segid "   A" and resid 18   and name  1HB ))
      3.105     1.205     1.205 peak   183 weight  1.00000E+00 volume  2.72249E+05 ppm1      1.887 ppm2      0.253

 ASSI {  184}
   (( segid "   A" and resid 5    and name  1HA ))
   (( segid "   A" and resid 6    and name  H   ))
      2.948     1.086     1.086 peak   184 weight  1.00000E+00 volume  3.71940E+05 ppm1      4.372 ppm2      8.317

 ASSI {  185}
   (( segid "   A" and resid 5    and name  2HA ))
   (( segid "   A" and resid 5    and name  1HA ))
      1.804     0.407     0.407 peak   185 weight  1.00000E+00 volume  7.08711E+06 ppm1      3.536 ppm2      4.378

 ASSI {  186}
   (( segid "   A" and resid 5    and name  1HA ))
   (( segid "   A" and resid 25   and name  2HB ))
      3.028     1.146     1.146 peak   186 weight  1.00000E+00 volume  3.16884E+05 ppm1      4.374 ppm2      2.620

 ASSI {  187}
   (( segid "   A" and resid 2    and name  H   ))
   (( segid "   A" and resid 2    and name  1HA ))
      2.558     0.818     0.818 peak   187 weight  1.00000E+00 volume  8.70683E+05 ppm1      4.041 ppm2      8.408
 OR {  187}
   (( segid "   A" and resid 2    and name  H   ))
   (( segid "   A" and resid 2    and name  2HA ))

 ASSI {  188}
   (( segid "   A" and resid 1    and name  HA  ))
   (( segid "   A" and resid 2    and name  2HA ))
      3.334     1.389     1.389 peak   188 weight  1.00000E+00 volume  1.77853E+05 ppm1      4.043 ppm2      4.484
 OR {  188}
   (( segid "   A" and resid 1    and name  HA  ))
   (( segid "   A" and resid 2    and name  1HA ))

 ASSI {  189}
   (( segid "   A" and resid 8    and name  2HB ))
   (( segid "   A" and resid 9    and name  H   ))
      3.118     1.215     1.215 peak   189 weight  1.00000E+00 volume  2.65804E+05 ppm1      3.054 ppm2      9.637

 ASSI {  190}
   (( segid "   A" and resid 8    and name  2HB ))
   (( segid "   A" and resid 26   and name  H   ))
      4.175     2.179     2.179 peak   190 weight  1.00000E+00 volume  4.60612E+04 ppm1      3.053 ppm2      9.374

 ASSI {  191}
   (( segid "   A" and resid 8    and name  H   ))
   (( segid "   A" and resid 8    and name  1HB ))
      3.340     1.394     1.394 peak   191 weight  1.00000E+00 volume  1.75924E+05 ppm1      3.224 ppm2      8.187

 ASSI {  192}
   (( segid "   A" and resid 8    and name  1HB ))
   (( segid "   A" and resid 13   and name  H   ))
      3.481     1.515     1.515 peak   192 weight  1.00000E+00 volume  1.37193E+05 ppm1      3.233 ppm2      7.605

 ASSI {  193}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 8    and name  2HB ))
      3.319     1.377     1.377 peak   193 weight  1.00000E+00 volume  1.82627E+05 ppm1      3.053 ppm2      4.526

 ASSI {  194}
   (( segid "   A" and resid 8    and name  1HB ))
   (( segid "   A" and resid 9    and name  HA  ))
      3.304     1.365     1.365 peak   194 weight  1.00000E+00 volume  1.87535E+05 ppm1      3.235 ppm2      4.541
 OR {  194}
   (( segid "   A" and resid 8    and name  1HB ))
   (( segid "   A" and resid 13   and name  HA  ))

 ASSI {  195}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 29   and name  2HD ))
      3.108     1.208     1.208 peak   195 weight  1.00000E+00 volume  2.70680E+05 ppm1      3.653 ppm2      4.342
 OR {  195}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 29   and name  1HD ))

 ASSI {  196}
   (( segid "   A" and resid 29   and name  2HB ))
   (( segid "   A" and resid 29   and name  2HD ))
      3.626     1.644     1.644 peak   196 weight  1.00000E+00 volume  1.07325E+05 ppm1      3.648 ppm2      2.152

 ASSI {  197}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 26   and name  2HB ))
      2.998     1.123     1.123 peak   197 weight  1.00000E+00 volume  3.36442E+05 ppm1      3.547 ppm2      2.559

 ASSI {  198}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 18   and name  1HB ))
      6.260     4.898     4.898 peak   198 weight  1.00000E+00 volume  4.05650E+03 ppm1      3.551 ppm2      1.877

 ASSI {  199}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 27   and name  H   ))
      2.993     1.119     1.119 peak   199 weight  1.00000E+00 volume  3.39888E+05 ppm1      5.095 ppm2     10.043

 ASSI {  200}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 25   and name  HA  ))
      1.964     0.482     0.482 peak   200 weight  1.00000E+00 volume  4.25375E+06 ppm1      5.545 ppm2      4.494

 ASSI {  201}
   (( segid "   A" and resid 7    and name  1HB ))
   (( segid "   A" and resid 25   and name  HA  ))
      3.284     1.348     1.348 peak   201 weight  1.00000E+00 volume  1.94640E+05 ppm1      5.552 ppm2      1.637
 OR {  201}
   (( segid "   A" and resid 7    and name  2HB ))
   (( segid "   A" and resid 25   and name  HA  ))

 ASSI {  202}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 25   and name  HD2 ))
      3.092     1.195     1.195 peak   202 weight  1.00000E+00 volume  2.79432E+05 ppm1      4.491 ppm2      6.790

 ASSI {  203}
   (( segid "   A" and resid 29   and name  1HB ))
   (( segid "   A" and resid 29   and name  HA  ))
      2.770     0.959     0.959 peak   203 weight  1.00000E+00 volume  5.40495E+05 ppm1      1.812 ppm2      4.328

 ASSI {  204}
   (( segid "   A" and resid 31   and name  HA  ))
   (( segid "   A" and resid 31   and name  QD  ))
      2.613     0.853     0.853 peak   204 weight  1.00000E+00 volume  7.67779E+05 ppm1      4.568 ppm2      7.044

 ASSI {  205}
   (( segid "   A" and resid 31   and name  HA  ))
   (( segid "   A" and resid 31   and name  QE  ))
      4.058     2.058     2.058 peak   205 weight  1.00000E+00 volume  5.46974E+04 ppm1      4.558 ppm2      6.645

 ASSI {  206}
   (( segid "   A" and resid 1    and name  HA  ))
   (( segid "   A" and resid 2    and name  2HA ))
      3.179     1.263     1.263 peak   206 weight  1.00000E+00 volume  2.36673E+05 ppm1      3.640 ppm2      4.501

 ASSI {  207}
   (( segid "   A" and resid 1    and name  2HB ))
   (( segid "   A" and resid 2    and name  1HA ))
      4.109     2.110     2.110 peak   207 weight  1.00000E+00 volume  5.07186E+04 ppm1      4.039 ppm2      3.165

 ASSI {  208}
   (( segid "   A" and resid 2    and name  2HA ))
   (( segid "   A" and resid 2    and name  1HA ))
      1.862     0.433     0.433 peak   208 weight  1.00000E+00 volume  5.85995E+06 ppm1      3.638 ppm2      4.040

 ASSI {  209}
   (( segid "   A" and resid 18   and name  QD1 ))
   (( segid "   A" and resid 18   and name  2HB ))
      2.535     0.804     0.804 peak   209 weight  1.00000E+00 volume  9.18789E+05 ppm1      0.254 ppm2      1.250

 ASSI {  210}
   (( segid "   A" and resid 8    and name  1HB ))
   (( segid "   A" and resid 9    and name  HA  ))
      3.828     1.832     1.832 peak   210 weight  1.00000E+00 volume  7.75198E+04 ppm1      4.570 ppm2      3.238

 ASSI {  211}
   (( segid "   A" and resid 2    and name  2HA ))
   (( segid "   A" and resid 6    and name  QB  ))
      2.365     0.699     0.699 peak   211 weight  1.00000E+00 volume  1.39448E+06 ppm1      1.413 ppm2      3.628

 ASSI {  212}
   (( segid "   A" and resid 32   and name  QG2 ))
   (( segid "   A" and resid 32   and name  HB  ))
      2.657     0.883     0.883 peak   212 weight  1.00000E+00 volume  6.93319E+05 ppm1      1.033 ppm2      4.086

 ASSI {  213}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 24   and name  H   ))
      2.898     1.050     1.050 peak   213 weight  1.00000E+00 volume  4.11826E+05 ppm1      4.465 ppm2      8.107

 ASSI {  214}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 27   and name  QD  ))
      2.900     1.051     1.051 peak   214 weight  1.00000E+00 volume  4.10736E+05 ppm1      4.463 ppm2      7.145

 ASSI {  215}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 23   and name  2HB ))
      1.934     0.468     0.468 peak   215 weight  1.00000E+00 volume  4.65980E+06 ppm1      4.465 ppm2      4.087
 OR {  215}
   (( segid "   A" and resid 21   and name  HA  ))
   (( segid "   A" and resid 21   and name  2HB ))

 ASSI {  216}
   (( segid "   A" and resid 28   and name  H   ))
   (( segid "   A" and resid 28   and name  HA  ))
      2.738     0.937     0.937 peak   216 weight  1.00000E+00 volume  5.79488E+05 ppm1      4.567 ppm2      8.681

 ASSI {  217}
   (( segid "   A" and resid 28   and name  HA  ))
   (( segid "   A" and resid 29   and name  H   ))
      2.238     0.626     0.626 peak   217 weight  1.00000E+00 volume  1.94406E+06 ppm1      4.557 ppm2      7.995

 ASSI {  218}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 28   and name  HA  ))
      3.407     1.451     1.451 peak   218 weight  1.00000E+00 volume  1.56126E+05 ppm1      4.532 ppm2      3.521

 ASSI {  219}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 19   and name  H   ))
      4.012     2.012     2.012 peak   219 weight  1.00000E+00 volume  5.84960E+04 ppm1      4.352 ppm2      8.616

 ASSI {  220}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 28   and name  HD2 ))
      4.633     2.683     2.683 peak   220 weight  1.00000E+00 volume  2.46912E+04 ppm1      4.353 ppm2      6.947

 ASSI {  221}
   (( segid "   A" and resid 9    and name  H   ))
   (( segid "   A" and resid 10   and name  HA  ))
      3.314     1.373     1.373 peak   221 weight  1.00000E+00 volume  1.84258E+05 ppm1      4.579 ppm2      9.665

 ASSI {  222}
   (( segid "   A" and resid 11   and name  1HG ))
   (( segid "   A" and resid 12   and name  HA  ))
      2.781     0.967     0.967 peak   222 weight  1.00000E+00 volume  5.27180E+05 ppm1      4.195 ppm2      1.247

 ASSI {  223}
   (( segid "   A" and resid 20   and name  1HB ))
   (( segid "   A" and resid 26   and name  HA  ))
      4.257     2.266     2.266 peak   223 weight  1.00000E+00 volume  4.09916E+04 ppm1      5.498 ppm2      2.303

 ASSI {  224}
   (( segid "   A" and resid 18   and name  QD1 ))
   (( segid "   A" and resid 32   and name  QG2 ))
      3.410     1.454     1.454 peak   224 weight  1.00000E+00 volume  1.55197E+05 ppm1      1.043 ppm2      0.235

 ASSI {  225}
   (( segid "   A" and resid 20   and name  2HB ))
   (( segid "   A" and resid 20   and name  HA  ))
      3.006     1.129     1.129 peak   225 weight  1.00000E+00 volume  3.30951E+05 ppm1      2.754 ppm2      5.106

 ASSI {  226}
   (( segid "   A" and resid 10   and name  QG2 ))
   (( segid "   A" and resid 10   and name  HA  ))
      2.805     0.983     0.983 peak   226 weight  1.00000E+00 volume  5.01644E+05 ppm1      1.048 ppm2      4.547

 ASSI {  227}
   (( segid "   A" and resid 1    and name  1HB ))
   (( segid "   A" and resid 14   and name  HA  ))
      3.708     1.719     1.719 peak   227 weight  1.00000E+00 volume  9.39162E+04 ppm1      2.703 ppm2      5.146

 ASSI {  228}
   (( segid "   A" and resid 11   and name  2HB ))
   (( segid "   A" and resid 11   and name  1HD ))
      2.424     0.735     0.735 peak   228 weight  1.00000E+00 volume  1.20222E+06 ppm1      1.683 ppm2      1.205
 OR {  228}
   (( segid "   A" and resid 11   and name  2HB ))
   (( segid "   A" and resid 11   and name  1HG ))

 ASSI {  229}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 11   and name  2HD ))
      3.464     1.500     1.500 peak   229 weight  1.00000E+00 volume  1.41209E+05 ppm1      1.227 ppm2      4.483

 ASSI {  230}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 11   and name  1HD ))
      3.558     1.582     1.582 peak   230 weight  1.00000E+00 volume  1.20405E+05 ppm1      1.185 ppm2      4.510

 ASSI {  231}
   (( segid "   A" and resid 11   and name  1HB ))
   (( segid "   A" and resid 11   and name  2HD ))
      2.975     1.107     1.107 peak   231 weight  1.00000E+00 volume  3.51901E+05 ppm1      1.242 ppm2      1.932

 ASSI {  232}
   (( segid "   A" and resid 11   and name  2HB ))
   (( segid "   A" and resid 11   and name  2HD ))
      2.953     1.090     1.090 peak   232 weight  1.00000E+00 volume  3.67965E+05 ppm1      1.232 ppm2      1.714

 ASSI {  233}
   (( segid "   A" and resid 10   and name  HA  ))
   (( segid "   A" and resid 10   and name  HB  ))
      2.152     0.579     0.579 peak   233 weight  1.00000E+00 volume  2.45760E+06 ppm1      4.314 ppm2      4.591

 ASSI {  234}
   (( segid "   A" and resid 11   and name  2HB ))
   (( segid "   A" and resid 10   and name  HB  ))
      3.882     1.884     1.884 peak   234 weight  1.00000E+00 volume  7.13518E+04 ppm1      4.312 ppm2      1.721

 ASSI {  235}
   (( segid "   A" and resid 10   and name  QG2 ))
   (( segid "   A" and resid 10   and name  HB  ))
      2.141     0.573     0.573 peak   235 weight  1.00000E+00 volume  2.53192E+06 ppm1      4.312 ppm2      1.066

 ASSI {    1}
   (( segid "   A" and resid 19   and name  HE1 ))
   (( segid "   A" and resid 19   and name  HD1 ))
      3.059     1.170     1.170 peak     1 weight  1.00000E+00 volume  7.68667E+05 ppm1     10.103 ppm2      7.067

 ASSI {    2}
   (( segid "   A" and resid 19   and name  HE1 ))
   (( segid "   A" and resid 19   and name  HZ2 ))
      3.584     1.605     1.605 peak     2 weight  1.00000E+00 volume  2.97517E+05 ppm1     10.103 ppm2      7.379

 ASSI {    3}
   (( segid "   A" and resid 29   and name  2HG ))
   (( segid "   A" and resid 30   and name  H   ))
      2.911     1.059     1.059 peak     3 weight  1.00000E+00 volume  1.03510E+06 ppm1      8.243 ppm2      1.927
 OR {    3}
   (( segid "   A" and resid 29   and name  1HG ))
   (( segid "   A" and resid 30   and name  H   ))

 ASSI {    5}
   (( segid "   A" and resid 30   and name  1HG ))
   (( segid "   A" and resid 30   and name  H   ))
      3.327     1.383     1.383 peak     5 weight  1.00000E+00 volume  4.65008E+05 ppm1      8.244 ppm2      1.312
 OR {    5}
   (( segid "   A" and resid 30   and name  2HG ))
   (( segid "   A" and resid 30   and name  H   ))

 ASSI {    6}
   (( segid "   A" and resid 17   and name  2HA ))
   (( segid "   A" and resid 30   and name  H   ))
      2.519     0.793     0.793 peak     6 weight  1.00000E+00 volume  2.46832E+06 ppm1      8.250 ppm2      4.219

 ASSI {    7}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 29   and name  H   ))
      2.441     0.745     0.745 peak     7 weight  1.00000E+00 volume  2.97980E+06 ppm1      7.993 ppm2      4.673

 ASSI {    8}
   (( segid "   A" and resid 28   and name  1HB ))
   (( segid "   A" and resid 29   and name  H   ))
      3.295     1.357     1.357 peak     8 weight  1.00000E+00 volume  4.92347E+05 ppm1      7.994 ppm2      2.953
 OR {    8}
   (( segid "   A" and resid 28   and name  2HB ))
   (( segid "   A" and resid 29   and name  H   ))

 ASSI {    9}
   (( segid "   A" and resid 29   and name  H   ))
   (( segid "   A" and resid 19   and name  HD1 ))
      3.630     1.647     1.647 peak     9 weight  1.00000E+00 volume  2.75248E+05 ppm1      7.990 ppm2      7.075

 ASSI {   10}
   (( segid "   A" and resid 29   and name  HA  ))
   (( segid "   A" and resid 30   and name  H   ))
      2.643     0.873     0.873 peak    10 weight  1.00000E+00 volume  1.84749E+06 ppm1      8.256 ppm2      4.347

 ASSI {   11}
   (( segid "   A" and resid 29   and name  2HD ))
   (( segid "   A" and resid 30   and name  H   ))
      4.626     2.676     2.676 peak    11 weight  1.00000E+00 volume  6.42551E+04 ppm1      8.240 ppm2      3.728
 OR {   11}
   (( segid "   A" and resid 29   and name  1HD ))
   (( segid "   A" and resid 30   and name  H   ))

 ASSI {   12}
   (( segid "   A" and resid 31   and name  HA  ))
   (( segid "   A" and resid 32   and name  H   ))
      2.481     0.769     0.769 peak    12 weight  1.00000E+00 volume  2.70411E+06 ppm1      7.636 ppm2      4.583

 ASSI {   13}
   (( segid "   A" and resid 31   and name  1HB ))
   (( segid "   A" and resid 32   and name  H   ))
      3.417     1.459     1.459 peak    13 weight  1.00000E+00 volume  3.96057E+05 ppm1      7.635 ppm2      3.056

 ASSI {   14}
   (( segid "   A" and resid 31   and name  2HB ))
   (( segid "   A" and resid 32   and name  H   ))
      3.532     1.559     1.559 peak    14 weight  1.00000E+00 volume  3.24584E+05 ppm1      7.637 ppm2      2.782

 ASSI {   15}
   (( segid "   A" and resid 30   and name  2HB ))
   (( segid "   A" and resid 32   and name  H   ))
      5.974     4.461     4.461 peak    15 weight  1.00000E+00 volume  1.38613E+04 ppm1      7.626 ppm2      1.459

 ASSI {   16}
   (( segid "   A" and resid 32   and name  QG2 ))
   (( segid "   A" and resid 32   and name  H   ))
      3.915     1.916     1.916 peak    16 weight  1.00000E+00 volume  1.74904E+05 ppm1      7.631 ppm2      1.036

 ASSI {   17}
   (( segid "   A" and resid 32   and name  HA  ))
   (( segid "   A" and resid 32   and name  H   ))
      3.087     1.191     1.191 peak    17 weight  1.00000E+00 volume  7.27666E+05 ppm1      7.634 ppm2      4.056

 ASSI {   18}
   (( segid "   A" and resid 27   and name  2HB ))
   (( segid "   A" and resid 28   and name  H   ))
      2.544     0.809     0.809 peak    18 weight  1.00000E+00 volume  2.32274E+06 ppm1      8.673 ppm2      2.983

 ASSI {   19}
   (( segid "   A" and resid 19   and name  H   ))
   (( segid "   A" and resid 19   and name  HD1 ))
      3.137     1.230     1.230 peak    19 weight  1.00000E+00 volume  6.60827E+05 ppm1      8.659 ppm2      7.074

 ASSI {   20}
   (( segid "   A" and resid 27   and name  H   ))
   (( segid "   A" and resid 27   and name  1HB ))
      2.906     1.056     1.056 peak    20 weight  1.00000E+00 volume  1.04607E+06 ppm1     10.025 ppm2      2.996

 ASSI {   21}
   (( segid "   A" and resid 26   and name  2HB ))
   (( segid "   A" and resid 27   and name  H   ))
      3.095     1.198     1.198 peak    21 weight  1.00000E+00 volume  7.16406E+05 ppm1     10.027 ppm2      2.549

 ASSI {   22}
   (( segid "   A" and resid 18   and name  1HB ))
   (( segid "   A" and resid 27   and name  H   ))
      3.669     1.683     1.683 peak    22 weight  1.00000E+00 volume  2.58385E+05 ppm1     10.031 ppm2      1.883

 ASSI {   23}
   (( segid "   A" and resid 18   and name  2HB ))
   (( segid "   A" and resid 27   and name  H   ))
      3.184     1.268     1.268 peak    23 weight  1.00000E+00 volume  6.04326E+05 ppm1     10.027 ppm2      1.150

 ASSI {   24}
   (( segid "   A" and resid 18   and name  QD1 ))
   (( segid "   A" and resid 27   and name  H   ))
      3.599     1.619     1.619 peak    24 weight  1.00000E+00 volume  2.89734E+05 ppm1     10.028 ppm2      0.245

 ASSI {   25}
   (( segid "   A" and resid 27   and name  QD  ))
   (( segid "   A" and resid 27   and name  H   ))
      2.661     0.885     0.885 peak    25 weight  1.00000E+00 volume  1.77553E+06 ppm1     10.026 ppm2      7.174

 ASSI {   26}
   (( segid "   A" and resid 27   and name  QE  ))
   (( segid "   A" and resid 27   and name  H   ))
      4.156     2.159     2.159 peak    26 weight  1.00000E+00 volume  1.22213E+05 ppm1     10.029 ppm2      6.465

 ASSI {   27}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 26   and name  H   ))
      3.396     1.441     1.441 peak    27 weight  1.00000E+00 volume  4.11005E+05 ppm1      9.348 ppm2      4.504

 ASSI {   28}
   (( segid "   A" and resid 5    and name  2HA ))
   (( segid "   A" and resid 26   and name  H   ))
      3.568     1.591     1.591 peak    28 weight  1.00000E+00 volume  3.05311E+05 ppm1      9.344 ppm2      3.543

 ASSI {   29}
   (( segid "   A" and resid 26   and name  1HB ))
   (( segid "   A" and resid 26   and name  H   ))
      2.542     0.808     0.808 peak    29 weight  1.00000E+00 volume  2.33297E+06 ppm1      9.346 ppm2      3.146

 ASSI {   30}
   (( segid "   A" and resid 25   and name  2HB ))
   (( segid "   A" and resid 26   and name  H   ))
      2.616     0.855     0.855 peak    30 weight  1.00000E+00 volume  1.96798E+06 ppm1      9.346 ppm2      2.622

 ASSI {   31}
   (( segid "   A" and resid 6    and name  QB  ))
   (( segid "   A" and resid 26   and name  H   ))
      3.411     1.455     1.455 peak    31 weight  1.00000E+00 volume  3.99722E+05 ppm1      9.347 ppm2      1.391

 ASSI {   32}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 26   and name  H   ))
      4.541     2.577     2.577 peak    32 weight  1.00000E+00 volume  7.19083E+04 ppm1      9.351 ppm2      5.097

 ASSI {   33}
   (( segid "   A" and resid 7    and name  HA  ))
   (( segid "   A" and resid 25   and name  H   ))
      3.606     1.625     1.625 peak    33 weight  1.00000E+00 volume  2.86603E+05 ppm1      7.608 ppm2      4.459
 OR {   33}
   (( segid "   A" and resid 23   and name  HA  ))
   (( segid "   A" and resid 25   and name  H   ))

 ASSI {   34}
   (( segid "   A" and resid 21   and name  2HB ))
   (( segid "   A" and resid 25   and name  H   ))
      3.743     1.752     1.752 peak    34 weight  1.00000E+00 volume  2.29034E+05 ppm1      7.609 ppm2      4.076

 ASSI {   35}
   (( segid "   A" and resid 24   and name  1HA ))
   (( segid "   A" and resid 25   and name  H   ))
      2.809     0.987     0.987 peak    35 weight  1.00000E+00 volume  1.28171E+06 ppm1      7.607 ppm2      3.766

 ASSI {   36}
   (( segid "   A" and resid 25   and name  1HB ))
   (( segid "   A" and resid 25   and name  H   ))
      2.714     0.921     0.921 peak    36 weight  1.00000E+00 volume  1.57549E+06 ppm1      7.605 ppm2      2.631

 ASSI {   37}
   (( segid "   A" and resid 21   and name  H   ))
   (( segid "   A" and resid 25   and name  H   ))
      2.955     1.091     1.091 peak    37 weight  1.00000E+00 volume  9.46656E+05 ppm1      7.611 ppm2      9.255

 ASSI {   38}
   (( segid "   A" and resid 24   and name  H   ))
   (( segid "   A" and resid 25   and name  H   ))
      2.693     0.906     0.906 peak    38 weight  1.00000E+00 volume  1.65270E+06 ppm1      7.608 ppm2      8.070

 ASSI {   39}
   (( segid "   A" and resid 24   and name  1HA ))
   (( segid "   A" and resid 24   and name  H   ))
      2.352     0.692     0.692 peak    39 weight  1.00000E+00 volume  3.71882E+06 ppm1      8.076 ppm2      3.753

 ASSI {   40}
   (( segid "   A" and resid 20   and name  1HB ))
   (( segid "   A" and resid 21   and name  H   ))
      3.925     1.926     1.926 peak    40 weight  1.00000E+00 volume  1.72339E+05 ppm1      9.262 ppm2      2.390

 ASSI {   41}
   (( segid "   A" and resid 21   and name  H   ))
   (( segid "   A" and resid 27   and name  QD  ))
      2.979     1.109     1.109 peak    41 weight  1.00000E+00 volume  9.02055E+05 ppm1      9.262 ppm2      7.163

 ASSI {   42}
   (( segid "   A" and resid 21   and name  H   ))
   (( segid "   A" and resid 27   and name  QE  ))
      3.678     1.691     1.691 peak    42 weight  1.00000E+00 volume  2.54632E+05 ppm1      9.265 ppm2      6.481

 ASSI {   43}
   (( segid "   A" and resid 21   and name  H   ))
   (( segid "   A" and resid 26   and name  HA  ))
      3.328     1.385     1.385 peak    43 weight  1.00000E+00 volume  4.63469E+05 ppm1      9.261 ppm2      5.489

 ASSI {   44}
   (( segid "   A" and resid 20   and name  H   ))
   (( segid "   A" and resid 19   and name  HA  ))
      2.513     0.789     0.789 peak    44 weight  1.00000E+00 volume  2.50134E+06 ppm1      8.556 ppm2      4.459

 ASSI {   45}
   (( segid "   A" and resid 20   and name  H   ))
   (( segid "   A" and resid 19   and name  2HB ))
      2.612     0.853     0.853 peak    45 weight  1.00000E+00 volume  1.98384E+06 ppm1      8.556 ppm2      3.078

 ASSI {   46}
   (( segid "   A" and resid 20   and name  2HB ))
   (( segid "   A" and resid 20   and name  H   ))
      2.782     0.967     0.967 peak    46 weight  1.00000E+00 volume  1.36000E+06 ppm1      8.556 ppm2      2.747

 ASSI {   47}
   (( segid "   A" and resid 20   and name  1HB ))
   (( segid "   A" and resid 20   and name  H   ))
      2.709     0.918     0.918 peak    47 weight  1.00000E+00 volume  1.59249E+06 ppm1      8.559 ppm2      2.374

 ASSI {   48}
   (( segid "   A" and resid 11   and name  1HB ))
   (( segid "   A" and resid 20   and name  H   ))
      3.757     1.764     1.764 peak    48 weight  1.00000E+00 volume  2.24099E+05 ppm1      8.556 ppm2      1.931

 ASSI {   49}
   (( segid "   A" and resid 11   and name  2HB ))
   (( segid "   A" and resid 20   and name  H   ))
      3.822     1.826     1.826 peak    49 weight  1.00000E+00 volume  2.02054E+05 ppm1      8.552 ppm2      1.690

 ASSI {   50}
   (( segid "   A" and resid 11   and name  2HG ))
   (( segid "   A" and resid 20   and name  H   ))
      3.351     1.404     1.404 peak    50 weight  1.00000E+00 volume  4.44806E+05 ppm1      8.556 ppm2      1.196
 OR {   50}
   (( segid "   A" and resid 11   and name  1HG ))
   (( segid "   A" and resid 20   and name  H   ))

 ASSI {   51}
   (( segid "   A" and resid 20   and name  H   ))
   (( segid "   A" and resid 27   and name  QE  ))
      3.841     1.844     1.844 peak    51 weight  1.00000E+00 volume  1.96316E+05 ppm1      8.559 ppm2      6.481

 ASSI {   52}
   (( segid "   A" and resid 21   and name  H   ))
   (( segid "   A" and resid 20   and name  H   ))
      4.692     2.752     2.752 peak    52 weight  1.00000E+00 volume  5.90300E+04 ppm1      8.562 ppm2      9.242

 ASSI {   53}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 18   and name  H   ))
      2.626     0.862     0.862 peak    53 weight  1.00000E+00 volume  1.92364E+06 ppm1      7.732 ppm2      4.690

 ASSI {   54}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 18   and name  H   ))
      3.897     1.898     1.898 peak    54 weight  1.00000E+00 volume  1.79936E+05 ppm1      7.729 ppm2      4.470

 ASSI {   55}
   (( segid "   A" and resid 17   and name  2HA ))
   (( segid "   A" and resid 18   and name  H   ))
      3.144     1.235     1.235 peak    55 weight  1.00000E+00 volume  6.52970E+05 ppm1      7.733 ppm2      4.228

 ASSI {   56}
   (( segid "   A" and resid 16   and name  HA  ))
   (( segid "   A" and resid 18   and name  H   ))
      3.386     1.433     1.433 peak    56 weight  1.00000E+00 volume  4.18254E+05 ppm1      7.731 ppm2      3.987

 ASSI {   57}
   (( segid "   A" and resid 14   and name  1HB ))
   (( segid "   A" and resid 18   and name  H   ))
      3.582     1.604     1.604 peak    57 weight  1.00000E+00 volume  2.98333E+05 ppm1      7.732 ppm2      3.050

 ASSI {   58}
   (( segid "   A" and resid 18   and name  1HB ))
   (( segid "   A" and resid 18   and name  H   ))
      2.553     0.815     0.815 peak    58 weight  1.00000E+00 volume  2.27643E+06 ppm1      7.732 ppm2      1.890

 ASSI {   59}
   (( segid "   A" and resid 18   and name  QD2 ))
   (( segid "   A" and resid 18   and name  H   ))
      3.072     1.180     1.180 peak    59 weight  1.00000E+00 volume  7.49542E+05 ppm1      7.732 ppm2      0.643

 ASSI {   60}
   (( segid "   A" and resid 16   and name  H   ))
   (( segid "   A" and resid 18   and name  H   ))
      4.416     2.438     2.438 peak    60 weight  1.00000E+00 volume  8.49125E+04 ppm1      7.731 ppm2      8.500

 ASSI {   61}
   (( segid "   A" and resid 16   and name  H   ))
   (( segid "   A" and resid 16   and name  2HB ))
      2.727     0.930     0.930 peak    61 weight  1.00000E+00 volume  1.53089E+06 ppm1      8.505 ppm2      3.754
 OR {   61}
   (( segid "   A" and resid 16   and name  H   ))
   (( segid "   A" and resid 16   and name  1HB ))

 ASSI {   62}
   (( segid "   A" and resid 15   and name  1HB ))
   (( segid "   A" and resid 16   and name  H   ))
      2.905     1.055     1.055 peak    62 weight  1.00000E+00 volume  1.04771E+06 ppm1      8.506 ppm2      3.287

 ASSI {   63}
   (( segid "   A" and resid 1    and name  1HB ))
   (( segid "   A" and resid 16   and name  H   ))
      3.878     1.880     1.880 peak    63 weight  1.00000E+00 volume  1.85241E+05 ppm1      8.506 ppm2      2.678

 ASSI {   64}
   (( segid "   A" and resid 15   and name  2HB ))
   (( segid "   A" and resid 16   and name  H   ))
      3.396     1.441     1.441 peak    64 weight  1.00000E+00 volume  4.11079E+05 ppm1      8.505 ppm2      2.398

 ASSI {   65}
   (( segid "   A" and resid 2    and name  2HA ))
   (( segid "   A" and resid 15   and name  H   ))
      3.469     1.505     1.505 peak    65 weight  1.00000E+00 volume  3.61256E+05 ppm1      9.361 ppm2      4.039

 ASSI {   66}
   (( segid "   A" and resid 14   and name  1HB ))
   (( segid "   A" and resid 15   and name  H   ))
      2.635     0.868     0.868 peak    66 weight  1.00000E+00 volume  1.88138E+06 ppm1      9.360 ppm2      3.044

 ASSI {   67}
   (( segid "   A" and resid 1    and name  1HB ))
   (( segid "   A" and resid 15   and name  H   ))
      2.799     0.980     0.980 peak    67 weight  1.00000E+00 volume  1.30900E+06 ppm1      9.360 ppm2      2.671

 ASSI {   68}
   (( segid "   A" and resid 15   and name  H   ))
   (( segid "   A" and resid 15   and name  2HB ))
      2.586     0.836     0.836 peak    68 weight  1.00000E+00 volume  2.10803E+06 ppm1      9.361 ppm2      2.400

 ASSI {   69}
   (( segid "   A" and resid 15   and name  H   ))
   (( segid "   A" and resid 18   and name  1HB ))
      3.362     1.412     1.412 peak    69 weight  1.00000E+00 volume  4.36692E+05 ppm1      9.362 ppm2      1.882

 ASSI {   70}
   (( segid "   A" and resid 15   and name  H   ))
   (( segid "   A" and resid 18   and name  2HB ))
      3.730     1.739     1.739 peak    70 weight  1.00000E+00 volume  2.34064E+05 ppm1      9.362 ppm2      1.140

 ASSI {   71}
   (( segid "   A" and resid 18   and name  QD2 ))
   (( segid "   A" and resid 15   and name  H   ))
      2.805     0.983     0.983 peak    71 weight  1.00000E+00 volume  1.29494E+06 ppm1      9.358 ppm2      0.649

 ASSI {   72}
   (( segid "   A" and resid 2    and name  H   ))
   (( segid "   A" and resid 15   and name  H   ))
      3.058     1.169     1.169 peak    72 weight  1.00000E+00 volume  7.69777E+05 ppm1      9.361 ppm2      8.431

 ASSI {   73}
   (( segid "   A" and resid 14   and name  HA  ))
   (( segid "   A" and resid 15   and name  H   ))
      2.281     0.651     0.651 peak    73 weight  1.00000E+00 volume  4.46956E+06 ppm1      9.358 ppm2      5.163

 ASSI {   74}
   (( segid "   A" and resid 12   and name  HA  ))
   (( segid "   A" and resid 14   and name  H   ))
      3.425     1.466     1.466 peak    74 weight  1.00000E+00 volume  3.90668E+05 ppm1      8.026 ppm2      4.187

 ASSI {   75}
   (( segid "   A" and resid 14   and name  H   ))
   (( segid "   A" and resid 14   and name  1HB ))
      3.047     1.161     1.161 peak    75 weight  1.00000E+00 volume  7.86832E+05 ppm1      8.029 ppm2      3.039

 ASSI {   76}
   (( segid "   A" and resid 13   and name  1HB ))
   (( segid "   A" and resid 14   and name  H   ))
      3.158     1.247     1.247 peak    76 weight  1.00000E+00 volume  6.35414E+05 ppm1      8.028 ppm2      2.854

 ASSI {   77}
   (( segid "   A" and resid 14   and name  H   ))
   (( segid "   A" and resid 14   and name  2HB ))
      2.563     0.821     0.821 peak    77 weight  1.00000E+00 volume  2.22348E+06 ppm1      8.026 ppm2      2.627

 ASSI {   78}
   (( segid "   A" and resid 12   and name  1HB ))
   (( segid "   A" and resid 13   and name  H   ))
      3.320     1.378     1.378 peak    78 weight  1.00000E+00 volume  4.70748E+05 ppm1      7.581 ppm2      3.771
 OR {   78}
   (( segid "   A" and resid 12   and name  2HB ))
   (( segid "   A" and resid 13   and name  H   ))

 ASSI {   79}
   (( segid "   A" and resid 13   and name  H   ))
   (( segid "   A" and resid 13   and name  2HB ))
      2.466     0.760     0.760 peak    79 weight  1.00000E+00 volume  2.79953E+06 ppm1      7.583 ppm2      2.849
 OR {   79}
   (( segid "   A" and resid 13   and name  1HB ))
   (( segid "   A" and resid 13   and name  H   ))

 ASSI {   80}
   (( segid "   A" and resid 13   and name  H   ))
   (( segid "   A" and resid 14   and name  H   ))
      2.617     0.856     0.856 peak    80 weight  1.00000E+00 volume  1.96125E+06 ppm1      7.578 ppm2      8.029

 ASSI {   81}
   (( segid "   A" and resid 10   and name  H   ))
   (( segid "   A" and resid 10   and name  HB  ))
      3.755     1.763     1.763 peak    81 weight  1.00000E+00 volume  2.24768E+05 ppm1      7.923 ppm2      4.317

 ASSI {   82}
   (( segid "   A" and resid 9    and name  2HB ))
   (( segid "   A" and resid 10   and name  H   ))
      2.920     1.066     1.066 peak    82 weight  1.00000E+00 volume  1.01691E+06 ppm1      7.922 ppm2      3.804

 ASSI {   83}
   (( segid "   A" and resid 8    and name  1HB ))
   (( segid "   A" and resid 10   and name  H   ))
      3.149     1.240     1.240 peak    83 weight  1.00000E+00 volume  6.46165E+05 ppm1      7.921 ppm2      3.240

 ASSI {   84}
   (( segid "   A" and resid 8    and name  2HB ))
   (( segid "   A" and resid 10   and name  H   ))
      3.622     1.640     1.640 peak    84 weight  1.00000E+00 volume  2.78910E+05 ppm1      7.921 ppm2      3.061

 ASSI {   85}
   (( segid "   A" and resid 10   and name  H   ))
   (( segid "   A" and resid 20   and name  1HB ))
      4.268     2.276     2.276 peak    85 weight  1.00000E+00 volume  1.04320E+05 ppm1      7.925 ppm2      2.398

 ASSI {   86}
   (( segid "   A" and resid 10   and name  H   ))
   (( segid "   A" and resid 10   and name  QG2 ))
      3.103     1.204     1.204 peak    86 weight  1.00000E+00 volume  7.05494E+05 ppm1      7.921 ppm2      1.062

 ASSI {   87}
   (( segid "   A" and resid 9    and name  H   ))
   (( segid "   A" and resid 10   and name  H   ))
      2.427     0.736     0.736 peak    87 weight  1.00000E+00 volume  3.08504E+06 ppm1      7.922 ppm2      9.631

 ASSI {   88}
   (( segid "   A" and resid 8    and name  HA  ))
   (( segid "   A" and resid 9    and name  H   ))
      2.446     0.748     0.748 peak    88 weight  1.00000E+00 volume  2.94237E+06 ppm1      9.633 ppm2      4.741

 ASSI {   89}
   (( segid "   A" and resid 8    and name  H   ))
   (( segid "   A" and resid 8    and name  HA  ))
      2.908     1.057     1.057 peak    89 weight  1.00000E+00 volume  1.04266E+06 ppm1      8.183 ppm2      4.742

 ASSI {   90}
   (( segid "   A" and resid 8    and name  H   ))
   (( segid "   A" and resid 24   and name  2HA ))
      3.454     1.491     1.491 peak    90 weight  1.00000E+00 volume  3.71190E+05 ppm1      8.180 ppm2      3.896

 ASSI {   91}
   (( segid "   A" and resid 8    and name  H   ))
   (( segid "   A" and resid 24   and name  1HA ))
      3.349     1.402     1.402 peak    91 weight  1.00000E+00 volume  4.46706E+05 ppm1      8.182 ppm2      3.768

 ASSI {   92}
   (( segid "   A" and resid 8    and name  H   ))
   (( segid "   A" and resid 8    and name  2HB ))
      3.275     1.341     1.341 peak    92 weight  1.00000E+00 volume  5.10799E+05 ppm1      8.183 ppm2      3.056

 ASSI {   93}
   (( segid "   A" and resid 8    and name  H   ))
   (( segid "   A" and resid 13   and name  1HB ))
      4.020     2.021     2.021 peak    93 weight  1.00000E+00 volume  1.49193E+05 ppm1      8.183 ppm2      2.865
 OR {   93}
   (( segid "   A" and resid 8    and name  H   ))
   (( segid "   A" and resid 13   and name  2HB ))

 ASSI {   94}
   (( segid "   A" and resid 7    and name  1HB ))
   (( segid "   A" and resid 8    and name  H   ))
      2.724     0.927     0.927 peak    94 weight  1.00000E+00 volume  1.54288E+06 ppm1      8.184 ppm2      1.651

 ASSI {   95}
   (( segid "   A" and resid 8    and name  H   ))
   (( segid "   A" and resid 7    and name  1HG ))
      3.315     1.374     1.374 peak    95 weight  1.00000E+00 volume  4.74921E+05 ppm1      8.178 ppm2      1.460

 ASSI {   96}
   (( segid "   A" and resid 8    and name  H   ))
   (( segid "   A" and resid 26   and name  H   ))
      3.945     1.946     1.946 peak    96 weight  1.00000E+00 volume  1.67057E+05 ppm1      8.179 ppm2      9.343

 ASSI {   97}
   (( segid "   A" and resid 7    and name  H   ))
   (( segid "   A" and resid 7    and name  HA  ))
      2.761     0.953     0.953 peak    97 weight  1.00000E+00 volume  1.42225E+06 ppm1      8.337 ppm2      4.505

 ASSI {   98}
   (( segid "   A" and resid 7    and name  H   ))
   (( segid "   A" and resid 7    and name  2HB ))
      2.285     0.653     0.653 peak    98 weight  1.00000E+00 volume  4.42966E+06 ppm1      8.335 ppm2      1.650

 ASSI {   99}
   (( segid "   A" and resid 6    and name  QB  ))
   (( segid "   A" and resid 7    and name  H   ))
      2.413     0.728     0.728 peak    99 weight  1.00000E+00 volume  3.18954E+06 ppm1      8.336 ppm2      1.421

 ASSI {  100}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 6    and name  H   ))
      2.646     0.875     0.875 peak   100 weight  1.00000E+00 volume  1.83590E+06 ppm1      8.308 ppm2      4.254

 ASSI {  101}
   (( segid "   A" and resid 5    and name  2HA ))
   (( segid "   A" and resid 6    and name  H   ))
      2.755     0.949     0.949 peak   101 weight  1.00000E+00 volume  1.44072E+06 ppm1      8.306 ppm2      3.532

 ASSI {  102}
   (( segid "   A" and resid 26   and name  1HB ))
   (( segid "   A" and resid 6    and name  H   ))
      2.694     0.907     0.907 peak   102 weight  1.00000E+00 volume  1.64960E+06 ppm1      8.309 ppm2      3.149

 ASSI {  103}
   (( segid "   A" and resid 26   and name  2HB ))
   (( segid "   A" and resid 6    and name  H   ))
      3.218     1.295     1.295 peak   103 weight  1.00000E+00 volume  5.66936E+05 ppm1      8.308 ppm2      2.540

 ASSI {  104}
   (( segid "   A" and resid 5    and name  H   ))
   (( segid "   A" and resid 6    and name  H   ))
      2.568     0.824     0.824 peak   104 weight  1.00000E+00 volume  2.19736E+06 ppm1      8.307 ppm2      9.160

 ASSI {  105}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 5    and name  H   ))
      2.070     0.536     0.536 peak   105 weight  1.00000E+00 volume  8.01109E+06 ppm1      9.160 ppm2      3.546
 OR {  105}
   (( segid "   A" and resid 5    and name  H   ))
   (( segid "   A" and resid 5    and name  2HA ))

 ASSI {  106}
   (( segid "   A" and resid 26   and name  1HB ))
   (( segid "   A" and resid 5    and name  H   ))
      3.044     1.158     1.158 peak   106 weight  1.00000E+00 volume  7.91770E+05 ppm1      9.159 ppm2      3.127

 ASSI {  107}
   (( segid "   A" and resid 26   and name  2HB ))
   (( segid "   A" and resid 5    and name  H   ))
      3.393     1.439     1.439 peak   107 weight  1.00000E+00 volume  4.13316E+05 ppm1      9.162 ppm2      2.582
 OR {  107}
   (( segid "   A" and resid 5    and name  H   ))
   (( segid "   A" and resid 25   and name  2HB ))

 ASSI {  108}
   (( segid "   A" and resid 4    and name  QB  ))
   (( segid "   A" and resid 5    and name  H   ))
      2.870     1.030     1.030 peak   108 weight  1.00000E+00 volume  1.12653E+06 ppm1      9.161 ppm2      1.295

 ASSI {  109}
   (( segid "   A" and resid 18   and name  QD1 ))
   (( segid "   A" and resid 5    and name  H   ))
      4.028     2.028     2.028 peak   109 weight  1.00000E+00 volume  1.47545E+05 ppm1      9.159 ppm2      0.241

 ASSI {  110}
   (( segid "   A" and resid 4    and name  H   ))
   (( segid "   A" and resid 3    and name  1HA ))
      2.459     0.756     0.756 peak   110 weight  1.00000E+00 volume  2.85053E+06 ppm1      8.423 ppm2      4.056

 ASSI {  111}
   (( segid "   A" and resid 4    and name  HA  ))
   (( segid "   A" and resid 4    and name  H   ))
      2.199     0.604     0.604 peak   111 weight  1.00000E+00 volume  5.57324E+06 ppm1      8.423 ppm2      3.528
 OR {  111}
   (( segid "   A" and resid 4    and name  H   ))
   (( segid "   A" and resid 3    and name  2HA ))

 ASSI {  112}
   (( segid "   A" and resid 4    and name  QB  ))
   (( segid "   A" and resid 4    and name  H   ))
      2.190     0.599     0.599 peak   112 weight  1.00000E+00 volume  5.71750E+06 ppm1      8.423 ppm2      1.291

 ASSI {  113}
   (( segid "   A" and resid 18   and name  QD2 ))
   (( segid "   A" and resid 4    and name  H   ))
      2.880     1.037     1.037 peak   113 weight  1.00000E+00 volume  1.10353E+06 ppm1      8.423 ppm2      0.653

 ASSI {  114}
   (( segid "   A" and resid 18   and name  QD1 ))
   (( segid "   A" and resid 4    and name  H   ))
      2.978     1.109     1.109 peak   114 weight  1.00000E+00 volume  9.02520E+05 ppm1      8.423 ppm2      0.255

 ASSI {  115}
   (( segid "   A" and resid 5    and name  H   ))
   (( segid "   A" and resid 4    and name  H   ))
      3.766     1.773     1.773 peak   115 weight  1.00000E+00 volume  2.20968E+05 ppm1      8.421 ppm2      9.169

 ASSI {  116}
   (( segid "   A" and resid 3    and name  H   ))
   (( segid "   A" and resid 3    and name  1HA ))
      2.132     0.568     0.568 peak   116 weight  1.00000E+00 volume  6.71753E+06 ppm1      8.238 ppm2      4.041

 ASSI {  117}
   (( segid "   A" and resid 3    and name  H   ))
   (( segid "   A" and resid 3    and name  2HA ))
      2.289     0.655     0.655 peak   117 weight  1.00000E+00 volume  4.37498E+06 ppm1      8.241 ppm2      3.528

 ASSI {  118}
   (( segid "   A" and resid 3    and name  H   ))
   (( segid "   A" and resid 6    and name  QB  ))
      2.611     0.852     0.852 peak   118 weight  1.00000E+00 volume  1.98770E+06 ppm1      8.239 ppm2      1.398

 ASSI {  119}
   (( segid "   A" and resid 3    and name  H   ))
   (( segid "   A" and resid 18   and name  QD2 ))
      3.963     1.963     1.963 peak   119 weight  1.00000E+00 volume  1.62650E+05 ppm1      8.240 ppm2      0.666

 ASSI {  120}
   (( segid "   A" and resid 2    and name  H   ))
   (( segid "   A" and resid 3    and name  H   ))
      2.975     1.106     1.106 peak   120 weight  1.00000E+00 volume  9.09114E+05 ppm1      8.235 ppm2      8.441

 ASSI {  121}
   (( segid "   A" and resid 1    and name  HA  ))
   (( segid "   A" and resid 2    and name  H   ))
      2.337     0.682     0.682 peak   121 weight  1.00000E+00 volume  3.87247E+06 ppm1      8.424 ppm2      4.499

 ASSI {  122}
   (( segid "   A" and resid 2    and name  H   ))
   (( segid "   A" and resid 2    and name  1HA ))
      2.762     0.954     0.954 peak   122 weight  1.00000E+00 volume  1.41902E+06 ppm1      8.422 ppm2      4.035

 ASSI {  123}
   (( segid "   A" and resid 2    and name  H   ))
   (( segid "   A" and resid 1    and name  2HB ))
      2.982     1.111     1.111 peak   123 weight  1.00000E+00 volume  8.96217E+05 ppm1      8.418 ppm2      3.089

 ASSI {  124}
   (( segid "   A" and resid 2    and name  H   ))
   (( segid "   A" and resid 6    and name  QB  ))
      3.581     1.603     1.603 peak   124 weight  1.00000E+00 volume  2.98602E+05 ppm1      8.419 ppm2      1.413

 ASSI {  125}
   (( segid "   A" and resid 14   and name  H   ))
   (( segid "   A" and resid 15   and name  H   ))
      4.295     2.305     2.305 peak   125 weight  1.00000E+00 volume  1.00439E+05 ppm1      8.023 ppm2      9.335

 ASSI {  126}
   (( segid "   A" and resid 25   and name  1HB ))
   (( segid "   A" and resid 24   and name  H   ))
      6.026     4.540     4.540 peak   126 weight  1.00000E+00 volume  1.31535E+04 ppm1      8.072 ppm2      2.674
 OR {  126}
   (( segid "   A" and resid 25   and name  2HB ))
   (( segid "   A" and resid 24   and name  H   ))

 ASSI {  127}
   (( segid "   A" and resid 27   and name  H   ))
   (( segid "   A" and resid 19   and name  1HB ))
      3.904     1.906     1.906 peak   127 weight  1.00000E+00 volume  1.77866E+05 ppm1     10.019 ppm2      2.324

 ASSI {  128}
   (( segid "   A" and resid 18   and name  HA  ))
   (( segid "   A" and resid 19   and name  H   ))
      2.189     0.599     0.599 peak   128 weight  1.00000E+00 volume  5.73461E+06 ppm1      8.669 ppm2      4.687

 ASSI {  129}
   (( segid "   A" and resid 18   and name  QD1 ))
   (( segid "   A" and resid 29   and name  H   ))
      4.104     2.106     2.106 peak   129 weight  1.00000E+00 volume  1.31804E+05 ppm1      7.993 ppm2      0.248

 ASSI {  130}
   (( segid "   A" and resid 13   and name  H   ))
   (( segid "   A" and resid 11   and name  HA  ))
      3.389     1.435     1.435 peak   130 weight  1.00000E+00 volume  4.16143E+05 ppm1      7.582 ppm2      3.668

 ASSI {  131}
   (( segid "   A" and resid 19   and name  HA  ))
   (( segid "   A" and resid 19   and name  H   ))
      2.781     0.967     0.967 peak   131 weight  1.00000E+00 volume  1.36088E+06 ppm1      8.660 ppm2      4.494

 ASSI {  132}
   (( segid "   A" and resid 24   and name  H   ))
   (( segid "   A" and resid 25   and name  HA  ))
      4.628     2.677     2.677 peak   132 weight  1.00000E+00 volume  6.41189E+04 ppm1      8.079 ppm2      5.570

 ASSI {  133}
   (( segid "   A" and resid 29   and name  1HB ))
   (( segid "   A" and resid 30   and name  H   ))
      3.842     1.845     1.845 peak   133 weight  1.00000E+00 volume  1.95959E+05 ppm1      8.249 ppm2      1.830

 ASSI {  134}
   (( segid "   A" and resid 20   and name  HA  ))
   (( segid "   A" and resid 25   and name  H   ))
      4.320     2.333     2.333 peak   134 weight  1.00000E+00 volume  9.68839E+04 ppm1      7.605 ppm2      5.089

 ASSI {  135}
   (( segid "   A" and resid 26   and name  H   ))
   (( segid "   A" and resid 27   and name  H   ))
      3.708     1.719     1.719 peak   135 weight  1.00000E+00 volume  2.42367E+05 ppm1     10.024 ppm2      9.296

 ASSI {  136}
   (( segid "   A" and resid 20   and name  2HB ))
   (( segid "   A" and resid 21   and name  H   ))
      4.000     2.000     2.000 peak   136 weight  1.00000E+00 volume  1.53761E+05 ppm1      9.268 ppm2      2.704

 ASSI {  137}
   (( segid "   A" and resid 6    and name  H   ))
   (( segid "   A" and resid 26   and name  H   ))
      3.234     1.307     1.307 peak   137 weight  1.00000E+00 volume  5.50732E+05 ppm1      9.346 ppm2      8.301

 ASSI {  138}
   (( segid "   A" and resid 26   and name  1HB ))
   (( segid "   A" and resid 27   and name  H   ))
      3.315     1.374     1.374 peak   138 weight  1.00000E+00 volume  4.74594E+05 ppm1     10.027 ppm2      3.136

 ASSI {  139}
   (( segid "   A" and resid 27   and name  H   ))
   (( segid "   A" and resid 19   and name  H   ))
      2.843     1.010     1.010 peak   139 weight  1.00000E+00 volume  1.19348E+06 ppm1      8.657 ppm2     10.026

 ASSI {  140}
   (( segid "   A" and resid 27   and name  QD  ))
   (( segid "   A" and resid 28   and name  H   ))
      3.316     1.374     1.374 peak   140 weight  1.00000E+00 volume  4.74209E+05 ppm1      8.666 ppm2      7.165

 ASSI {  141}
   (( segid "   A" and resid 26   and name  HA  ))
   (( segid "   A" and resid 19   and name  H   ))
      3.965     1.965     1.965 peak   141 weight  1.00000E+00 volume  1.62132E+05 ppm1      8.657 ppm2      5.511

 ASSI {  142}
   (( segid "   A" and resid 19   and name  1HB ))
   (( segid "   A" and resid 19   and name  H   ))
      2.680     0.898     0.898 peak   142 weight  1.00000E+00 volume  1.69920E+06 ppm1      8.657 ppm2      2.329

 ASSI {  143}
   (( segid "   A" and resid 18   and name  2HB ))
   (( segid "   A" and resid 19   and name  H   ))
      2.618     0.857     0.857 peak   143 weight  1.00000E+00 volume  1.95815E+06 ppm1      8.657 ppm2      1.168

 ASSI {  144}
   (( segid "   A" and resid 18   and name  QD2 ))
   (( segid "   A" and resid 19   and name  H   ))
      4.417     2.439     2.439 peak   144 weight  1.00000E+00 volume  8.48367E+04 ppm1      8.669 ppm2      0.667

 ASSI {  145}
   (( segid "   A" and resid 6    and name  HA  ))
   (( segid "   A" and resid 26   and name  H   ))
      4.661     2.716     2.716 peak   145 weight  1.00000E+00 volume  6.14424E+04 ppm1      9.343 ppm2      4.258

 ASSI {  146}
   (( segid "   A" and resid 18   and name  QD2 ))
   (( segid "   A" and resid 5    and name  H   ))
      4.276     2.286     2.286 peak   146 weight  1.00000E+00 volume  1.03058E+05 ppm1      9.161 ppm2      0.626

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   CYS   9           HT1      CYS   9   1.382  -9.598  -5.655
    2    H2   CYS   9           HT2      CYS   9   1.086 -10.019  -4.043
    3    H3   CYS   9           HT3      CYS   9   2.674  -9.821  -4.586
    4    HA   CYS   9           HA       CYS   9   2.338  -7.501  -4.934
    5    HB2  CYS   9           HB2      CYS   9  -0.474  -8.180  -4.196
    6    HB3  CYS   9           HB1      CYS   9   0.143  -6.555  -3.953
    7    H    GLY  10           HN       GLY  10   2.349  -5.874  -3.225
    8    HA2  GLY  10           HA2      GLY  10   3.361  -6.722  -0.755
    9    HA3  GLY  10           HA1      GLY  10   2.767  -5.106  -1.129
   10    H    GLY  11           HN       GLY  11   0.918  -4.434  -0.239
   11    HA2  GLY  11           HA2      GLY  11  -1.451  -5.292   0.214
   12    HA3  GLY  11           HA1      GLY  11  -0.636  -6.409   1.296
   13    H    ALA  12           HN       ALA  12  -2.381  -5.101   2.612
   14    HA   ALA  12           HA       ALA  12  -1.702  -2.475   3.440
   15    HB1  ALA  12           HB1      ALA  12  -3.980  -3.422   3.598
   16    HB2  ALA  12           HB2      ALA  12  -3.408  -2.742   5.121
   17    HB3  ALA  12           HB3      ALA  12  -3.417  -4.489   4.883
   18    H    GLY  13           HN       GLY  13  -0.020  -1.919   4.623
   19    HA2  GLY  13           HA2      GLY  13   1.251  -1.872   6.589
   20    HA3  GLY  13           HA1      GLY  13   0.658  -3.475   6.992
   21    H    ALA  14           HN       ALA  14   1.623  -3.442   3.804
   22    HA   ALA  14           HA       ALA  14   4.083  -4.851   4.483
   23    HB1  ALA  14           HB1      ALA  14   2.742  -4.463   1.809
   24    HB2  ALA  14           HB2      ALA  14   2.541  -5.859   2.867
   25    HB3  ALA  14           HB3      ALA  14   4.113  -5.522   2.141
   26    H    LYS  15           HN       LYS  15   6.087  -4.093   4.118
   27    HA   LYS  15           HA       LYS  15   6.593  -1.377   3.780
   28    HB2  LYS  15           HB2      LYS  15   8.960  -2.087   3.375
   29    HB3  LYS  15           HB1      LYS  15   8.232  -2.730   4.839
   30    HG2  LYS  15           HG2      LYS  15   7.804  -4.854   3.651
   31    HG3  LYS  15           HG1      LYS  15   8.645  -4.196   2.245
   32    HD2  LYS  15           HD2      LYS  15   9.887  -4.409   4.973
   33    HD3  LYS  15           HD1      LYS  15  10.034  -5.663   3.743
   34    HE2  LYS  15           HE2      LYS  15  11.083  -4.040   2.232
   35    HE3  LYS  15           HE1      LYS  15  10.942  -2.799   3.476
   36    HZ1  LYS  15           HZ1      LYS  15  12.481  -5.317   3.783
   37    HZ2  LYS  15           HZ2      LYS  15  12.420  -4.034   4.879
   38    HZ3  LYS  15           HZ3      LYS  15  13.157  -3.822   3.372
   39    H    CYS  16           HN       CYS  16   7.199  -0.116   2.058
   40    HA   CYS  16           HA       CYS  16   7.118  -1.309  -0.618
   41    HB2  CYS  16           HB2      CYS  16   5.533   0.493  -1.335
   42    HB3  CYS  16           HB1      CYS  16   4.829  -0.667  -0.212
   43    H    SER  17           HN       SER  17   8.110  -0.056  -2.230
   44    HA   SER  17           HA       SER  17   9.602   2.303  -1.303
   45    HB2  SER  17           HB2      SER  17   9.978   0.702  -3.850
   46    HB3  SER  17           HB1      SER  17  11.039   1.969  -3.237
   47    HG   SER  17           HG       SER  17  11.119   0.479  -1.284
   48    H    THR  18           HN       THR  18   7.407   1.035  -3.698
   49    HA   THR  18           HA       THR  18   6.402   3.754  -4.202
   50    HB   THR  18           HB       THR  18   5.881   3.029  -6.546
   51    HG1  THR  18           HG1      THR  18   7.180   0.722  -5.605
   52   HG21  THR  18          HG21      THR  18   8.809   2.992  -5.799
   53   HG22  THR  18          HG22      THR  18   7.836   4.428  -6.121
   54   HG23  THR  18          HG23      THR  18   8.170   3.280  -7.417
   55    H    LYS  19           HN       LYS  19   4.081   3.441  -5.325
   56    HA   LYS  19           HA       LYS  19   2.595   1.716  -3.568
   57    HB2  LYS  19           HB2      LYS  19   0.620   2.625  -4.529
   58    HB3  LYS  19           HB1      LYS  19   1.763   3.947  -4.375
   59    HG2  LYS  19           HG2      LYS  19   2.312   3.661  -6.790
   60    HG3  LYS  19           HG1      LYS  19   1.004   2.481  -6.886
   61    HD2  LYS  19           HD2      LYS  19  -0.562   4.214  -6.054
   62    HD3  LYS  19           HD1      LYS  19   0.757   5.383  -6.103
   63    HE2  LYS  19           HE2      LYS  19  -0.555   5.640  -8.086
   64    HE3  LYS  19           HE1      LYS  19   0.993   4.926  -8.533
   65    HZ1  LYS  19           HZ1      LYS  19  -0.069   2.763  -8.620
   66    HZ2  LYS  19           HZ2      LYS  19  -0.852   3.843  -9.656
   67    HZ3  LYS  19           HZ3      LYS  19  -1.552   3.440  -8.174
   68    H    SER  20           HN       SER  20   4.117   1.388  -6.561
   69    HA   SER  20           HA       SER  20   2.485  -0.691  -7.644
   70    HB2  SER  20           HB2      SER  20   5.363  -0.028  -8.295
   71    HB3  SER  20           HB1      SER  20   4.215  -0.901  -9.311
   72    HG   SER  20           HG       SER  20   4.534   1.404  -9.795
   73    H    ASP  21           HN       ASP  21   4.515  -0.595  -5.023
   74    HA   ASP  21           HA       ASP  21   5.539  -3.290  -5.236
   75    HB2  ASP  21           HB2      ASP  21   5.584  -1.229  -3.032
   76    HB3  ASP  21           HB1      ASP  21   6.152  -2.876  -2.781
   77    H    CYS  22           HN       CYS  22   2.599  -1.979  -4.672
   78    HA   CYS  22           HA       CYS  22   1.667  -4.435  -3.380
   79    HB2  CYS  22           HB2      CYS  22   0.795  -1.626  -2.679
   80    HB3  CYS  22           HB1      CYS  22   0.006  -3.085  -2.101
   81    H    CYS  23           HN       CYS  23  -0.686  -4.828  -3.850
   82    HA   CYS  23           HA       CYS  23  -1.221  -4.398  -6.605
   83    HB2  CYS  23           HB2      CYS  23  -2.643  -5.704  -4.347
   84    HB3  CYS  23           HB1      CYS  23  -3.624  -5.202  -5.716
   85    H    SER  24           HN       SER  24  -2.915  -3.211  -7.558
   86    HA   SER  24           HA       SER  24  -3.171  -0.578  -6.713
   87    HB2  SER  24           HB2      SER  24  -3.540  -1.274  -9.036
   88    HB3  SER  24           HB1      SER  24  -5.002  -2.131  -8.556
   89    HG   SER  24           HG       SER  24  -5.781  -0.229  -9.186
   90    H    GLY  25           HN       GLY  25  -3.879  -0.223  -4.724
   91    HA2  GLY  25           HA2      GLY  25  -6.419   0.090  -3.931
   92    HA3  GLY  25           HA1      GLY  25  -6.151  -1.624  -3.622
   93    H    LEU  26           HN       LEU  26  -3.468  -1.534  -2.940
   94    HA   LEU  26           HA       LEU  26  -3.543  -0.109  -0.379
   95    HB2  LEU  26           HB2      LEU  26  -1.529  -2.159  -1.309
   96    HB3  LEU  26           HB1      LEU  26  -1.684  -1.498   0.301
   97    HG   LEU  26           HG       LEU  26  -2.569  -3.635   0.487
   98   HD11  LEU  26          HD11      LEU  26  -4.894  -1.795   0.010
   99   HD12  LEU  26          HD12      LEU  26  -4.042  -2.077   1.529
  100   HD13  LEU  26          HD13      LEU  26  -4.999  -3.367   0.801
  101   HD21  LEU  26          HD21      LEU  26  -2.647  -4.203  -1.866
  102   HD22  LEU  26          HD22      LEU  26  -4.081  -3.198  -2.079
  103   HD23  LEU  26          HD23      LEU  26  -4.157  -4.642  -1.068
  104    H    TRP  27           HN       TRP  27  -2.649   1.829  -0.412
  105    HA   TRP  27           HA       TRP  27  -0.739   2.460  -2.538
  106    HB2  TRP  27           HB2      TRP  27  -2.519   4.182  -0.812
  107    HB3  TRP  27           HB1      TRP  27  -1.261   4.859  -1.844
  108    HD1  TRP  27           HD1      TRP  27  -4.120   2.276  -2.447
  109    HE1  TRP  27           HE1      TRP  27  -5.270   2.882  -4.670
  110    HE3  TRP  27           HE3      TRP  27  -1.360   6.400  -3.690
  111    HZ2  TRP  27           HZ2      TRP  27  -5.049   4.859  -6.667
  112    HZ3  TRP  27           HZ3      TRP  27  -1.899   7.591  -5.773
  113    HH2  TRP  27           HH2      TRP  27  -3.705   6.834  -7.228
  114    H    CYS  28           HN       CYS  28   1.191   3.606  -2.086
  115    HA   CYS  28           HA       CYS  28   2.370   2.647   0.387
  116    HB2  CYS  28           HB2      CYS  28   3.501   2.291  -1.793
  117    HB3  CYS  28           HB1      CYS  28   3.665   4.033  -1.969
  118    H    SER  29           HN       SER  29   2.526   3.872   2.130
  119    HA   SER  29           HA       SER  29   1.999   6.685   2.069
  120    HB2  SER  29           HB2      SER  29   1.371   5.191   3.978
  121    HB3  SER  29           HB1      SER  29   3.083   5.004   4.346
  122    HG   SER  29           HG       SER  29   1.643   7.459   4.323
  123    H    GLY  30           HN       GLY  30   3.584   7.577   0.754
  124    HA2  GLY  30           HA2      GLY  30   5.571   8.685   0.387
  125    HA3  GLY  30           HA1      GLY  30   6.062   8.235   2.015
  126    H    SER  31           HN       SER  31   7.107   6.274   2.358
  127    HA   SER  31           HA       SER  31   7.655   4.479   0.181
  128    HB2  SER  31           HB2      SER  31  10.172   4.765   0.462
  129    HB3  SER  31           HB1      SER  31   9.342   6.074  -0.382
  130    HG   SER  31           HG       SER  31  10.185   7.323   1.073
  131    H    GLY  32           HN       GLY  32   6.470   4.473   2.856
  132    HA2  GLY  32           HA2      GLY  32   8.395   2.846   4.371
  133    HA3  GLY  32           HA1      GLY  32   6.966   3.618   5.037
  134    H    HIS  33           HN       HIS  33   4.897   2.705   4.583
  135    HA   HIS  33           HA       HIS  33   4.914   0.011   3.455
  136    HB2  HIS  33           HB2      HIS  33   3.293  -0.578   5.456
  137    HB3  HIS  33           HB1      HIS  33   5.036  -0.739   5.621
  138    HD1  HIS  33           HD1      HIS  33   2.121   1.200   6.905
  139    HD2  HIS  33           HD2      HIS  33   6.255   1.130   7.305
  140    HE1  HIS  33           HE1      HIS  33   2.625   2.619   8.917
  141    HE2  HIS  33           HE2      HIS  33   5.118   2.422   9.238
  142    H    CYS  34           HN       CYS  34   3.005  -0.674   2.583
  143    HA   CYS  34           HA       CYS  34   1.324   1.344   1.536
  144    HB2  CYS  34           HB2      CYS  34   1.049  -1.667   1.539
  145    HB3  CYS  34           HB1      CYS  34   0.015  -0.585   0.622
  146    H    TYR  35           HN       TYR  35  -0.725   1.966   2.027
  147    HA   TYR  35           HA       TYR  35  -1.943   0.746   4.413
  148    HB2  TYR  35           HB2      TYR  35  -3.132   2.908   4.742
  149    HB3  TYR  35           HB1      TYR  35  -1.385   3.055   4.862
  150    HD1  TYR  35           HD1      TYR  35  -0.115   4.213   3.115
  151    HD2  TYR  35           HD2      TYR  35  -4.360   4.000   2.977
  152    HE1  TYR  35           HE1      TYR  35  -0.144   6.034   1.466
  153    HE2  TYR  35           HE2      TYR  35  -4.399   5.818   1.321
  154    HH   TYR  35           HH       TYR  35  -2.930   7.721   0.643
  155    H    HIS  36           HN       HIS  36  -4.209   0.449   4.414
  156    HA   HIS  36           HA       HIS  36  -5.077  -0.474   1.833
  157    HB2  HIS  36           HB2      HIS  36  -6.911  -1.560   3.024
  158    HB3  HIS  36           HB1      HIS  36  -5.373  -1.910   3.781
  159    HD1  HIS  36           HD1      HIS  36  -7.823  -2.403   5.403
  160    HD2  HIS  36           HD2      HIS  36  -5.889   1.275   5.385
  161    HE1  HIS  36           HE1      HIS  36  -8.493  -1.277   7.547
  162    HE2  HIS  36           HE2      HIS  36  -7.454   1.016   7.426
  163    H    ARG  37           HN       ARG  37  -5.115   1.820   1.059
  164    HA   ARG  37           HA       ARG  37  -7.134   3.626   1.797
  165    HB2  ARG  37           HB2      ARG  37  -5.095   4.010   0.282
  166    HB3  ARG  37           HB1      ARG  37  -6.068   3.323  -1.009
  167    HG2  ARG  37           HG2      ARG  37  -6.991   5.678   0.608
  168    HG3  ARG  37           HG1      ARG  37  -5.987   5.853  -0.826
  169    HD2  ARG  37           HD2      ARG  37  -8.617   4.395  -0.822
  170    HD3  ARG  37           HD1      ARG  37  -8.472   6.115  -1.173
  171    HE   ARG  37           HE       ARG  37  -6.767   5.126  -2.939
  172   HH11  ARG  37          HH11      ARG  37  -9.980   4.025  -2.082
  173   HH12  ARG  37          HH12      ARG  37 -10.328   3.406  -3.666
  174   HH21  ARG  37          HH21      ARG  37  -7.232   4.330  -5.032
  175   HH22  ARG  37          HH22      ARG  37  -8.764   3.579  -5.344
  176    H    ARG  38           HN       ARG  38  -7.031   1.405  -0.961
  177    HA   ARG  38           HA       ARG  38  -9.856   1.660  -1.480
  178    HB2  ARG  38           HB2      ARG  38  -8.099   1.264  -3.229
  179    HB3  ARG  38           HB1      ARG  38  -7.881  -0.349  -2.572
  180    HG2  ARG  38           HG2      ARG  38 -10.311  -0.764  -3.084
  181    HG3  ARG  38           HG1      ARG  38 -10.292   0.761  -3.977
  182    HD2  ARG  38           HD2      ARG  38  -8.418  -0.101  -5.338
  183    HD3  ARG  38           HD1      ARG  38  -8.541  -1.638  -4.490
  184    HE   ARG  38           HE       ARG  38 -10.719  -0.541  -6.150
  185   HH11  ARG  38          HH11      ARG  38  -8.792  -3.233  -4.990
  186   HH12  ARG  38          HH12      ARG  38  -9.496  -4.370  -6.097
  187   HH21  ARG  38          HH21      ARG  38 -11.642  -2.037  -7.601
  188   HH22  ARG  38          HH22      ARG  38 -11.115  -3.690  -7.587
  189    H    TYR  39           HN       TYR  39  -8.238   0.188   0.892
  190    HA   TYR  39           HA       TYR  39  -8.659  -1.420   2.407
  191    HB2  TYR  39           HB2      TYR  39 -11.249  -1.790   0.917
  192    HB3  TYR  39           HB1      TYR  39 -10.847  -2.606   2.424
  193    HD1  TYR  39           HD1      TYR  39 -10.448  -1.205   4.487
  194    HD2  TYR  39           HD2      TYR  39 -12.113   0.407   0.923
  195    HE1  TYR  39           HE1      TYR  39 -11.308   0.711   5.763
  196    HE2  TYR  39           HE2      TYR  39 -12.977   2.328   2.187
  197    HH   TYR  39           HH       TYR  39 -11.967   3.094   5.288
  198    H    THR  40           HN       THR  40  -9.883  -2.656  -0.631
  199    HA   THR  40           HA       THR  40  -7.614  -4.391  -0.943
  200    HB   THR  40           HB       THR  40 -10.353  -5.661  -0.658
  201    HG1  THR  40           HG1      THR  40  -8.424  -5.116   1.167
  202   HG21  THR  40          HG21      THR  40  -9.142  -7.781  -0.928
  203   HG22  THR  40          HG22      THR  40  -7.644  -6.890  -1.192
  204   HG23  THR  40          HG23      THR  40  -8.965  -6.754  -2.350
  Start of MODEL    2
    1    H1   CYS   9           HT1      CYS   9   3.691  -7.898  -4.998
    2    H2   CYS   9           HT2      CYS   9   2.487  -8.164  -6.152
    3    H3   CYS   9           HT3      CYS   9   2.489  -9.049  -4.713
    4    HA   CYS   9           HA       CYS   9   2.112  -6.134  -4.926
    5    HB2  CYS   9           HB2      CYS   9   0.183  -8.401  -4.676
    6    HB3  CYS   9           HB1      CYS   9  -0.224  -6.817  -4.030
    7    H    GLY  10           HN       GLY  10   0.701  -5.629  -2.781
    8    HA2  GLY  10           HA2      GLY  10   2.117  -6.726  -0.487
    9    HA3  GLY  10           HA1      GLY  10   2.310  -5.009  -0.846
   10    H    GLY  11           HN       GLY  11   0.845  -6.837   1.233
   11    HA2  GLY  11           HA2      GLY  11  -1.844  -5.781   1.068
   12    HA3  GLY  11           HA1      GLY  11  -1.207  -6.821   2.331
   13    H    ALA  12           HN       ALA  12  -2.699  -4.969   3.323
   14    HA   ALA  12           HA       ALA  12  -1.536  -2.462   3.834
   15    HB1  ALA  12           HB1      ALA  12  -3.425  -4.060   5.566
   16    HB2  ALA  12           HB2      ALA  12  -3.887  -2.939   4.286
   17    HB3  ALA  12           HB3      ALA  12  -3.076  -2.338   5.731
   18    H    GLY  13           HN       GLY  13   0.285  -2.031   4.911
   19    HA2  GLY  13           HA2      GLY  13   1.546  -2.112   6.956
   20    HA3  GLY  13           HA1      GLY  13   1.053  -3.785   7.148
   21    H    ALA  14           HN       ALA  14   1.674  -3.738   4.017
   22    HA   ALA  14           HA       ALA  14   4.206  -5.033   4.320
   23    HB1  ALA  14           HB1      ALA  14   2.545  -5.696   2.617
   24    HB2  ALA  14           HB2      ALA  14   4.131  -5.351   1.925
   25    HB3  ALA  14           HB3      ALA  14   2.829  -4.170   1.779
   26    H    LYS  15           HN       LYS  15   6.230  -4.300   3.909
   27    HA   LYS  15           HA       LYS  15   6.678  -1.485   3.840
   28    HB2  LYS  15           HB2      LYS  15   9.056  -2.053   3.724
   29    HB3  LYS  15           HB1      LYS  15   8.245  -2.992   4.969
   30    HG2  LYS  15           HG2      LYS  15   8.206  -4.934   3.518
   31    HG3  LYS  15           HG1      LYS  15   8.939  -3.997   2.214
   32    HD2  LYS  15           HD2      LYS  15  10.920  -3.625   3.615
   33    HD3  LYS  15           HD1      LYS  15  10.188  -4.596   4.893
   34    HE2  LYS  15           HE2      LYS  15  10.192  -6.544   3.451
   35    HE3  LYS  15           HE1      LYS  15  10.834  -5.584   2.118
   36    HZ1  LYS  15           HZ1      LYS  15  12.829  -5.181   3.435
   37    HZ2  LYS  15           HZ2      LYS  15  12.580  -6.835   3.193
   38    HZ3  LYS  15           HZ3      LYS  15  12.214  -6.137   4.688
   39    H    CYS  16           HN       CYS  16   7.337  -0.192   2.184
   40    HA   CYS  16           HA       CYS  16   7.657  -1.292  -0.485
   41    HB2  CYS  16           HB2      CYS  16   5.795   0.252  -1.313
   42    HB3  CYS  16           HB1      CYS  16   5.287  -1.191  -0.442
   43    H    SER  17           HN       SER  17   8.904  -0.009  -1.743
   44    HA   SER  17           HA       SER  17   9.575   2.666  -0.755
   45    HB2  SER  17           HB2      SER  17  10.837   1.045  -2.988
   46    HB3  SER  17           HB1      SER  17  11.428   2.588  -2.367
   47    HG   SER  17           HG       SER  17  11.538   0.039  -1.235
   48    H    THR  18           HN       THR  18   7.915   0.923  -3.188
   49    HA   THR  18           HA       THR  18   6.972   3.440  -4.373
   50    HB   THR  18           HB       THR  18   6.575   1.981  -6.472
   51    HG1  THR  18           HG1      THR  18   7.993   0.277  -4.865
   52   HG21  THR  18          HG21      THR  18   8.163   3.840  -6.417
   53   HG22  THR  18          HG22      THR  18   8.820   2.488  -7.340
   54   HG23  THR  18          HG23      THR  18   9.384   2.788  -5.697
   55    H    LYS  19           HN       LYS  19   4.751   3.373  -5.106
   56    HA   LYS  19           HA       LYS  19   3.165   1.597  -3.457
   57    HB2  LYS  19           HB2      LYS  19   1.258   2.933  -4.142
   58    HB3  LYS  19           HB1      LYS  19   2.550   3.948  -3.535
   59    HG2  LYS  19           HG2      LYS  19   3.161   4.545  -5.815
   60    HG3  LYS  19           HG1      LYS  19   1.883   3.497  -6.436
   61    HD2  LYS  19           HD2      LYS  19   0.200   4.855  -5.327
   62    HD3  LYS  19           HD1      LYS  19   1.456   5.876  -4.625
   63    HE2  LYS  19           HE2      LYS  19   2.143   6.578  -6.853
   64    HE3  LYS  19           HE1      LYS  19   0.921   5.533  -7.573
   65    HZ1  LYS  19           HZ1      LYS  19   0.393   7.855  -5.800
   66    HZ2  LYS  19           HZ2      LYS  19  -0.785   6.846  -6.472
   67    HZ3  LYS  19           HZ3      LYS  19   0.171   7.815  -7.477
   68    H    SER  20           HN       SER  20   4.264   1.717  -6.674
   69    HA   SER  20           HA       SER  20   2.261   0.040  -7.826
   70    HB2  SER  20           HB2      SER  20   5.139   0.471  -8.669
   71    HB3  SER  20           HB1      SER  20   3.872  -0.258  -9.657
   72    HG   SER  20           HG       SER  20   2.878   2.013  -8.870
   73    H    ASP  21           HN       ASP  21   4.535  -0.487  -5.472
   74    HA   ASP  21           HA       ASP  21   5.347  -3.153  -6.047
   75    HB2  ASP  21           HB2      ASP  21   6.499  -1.595  -4.442
   76    HB3  ASP  21           HB1      ASP  21   5.147  -1.811  -3.336
   77    H    CYS  22           HN       CYS  22   2.728  -1.683  -4.227
   78    HA   CYS  22           HA       CYS  22   1.644  -4.295  -3.547
   79    HB2  CYS  22           HB2      CYS  22   0.780  -1.506  -2.764
   80    HB3  CYS  22           HB1      CYS  22   0.019  -2.987  -2.193
   81    H    CYS  23           HN       CYS  23  -0.856  -4.421  -3.756
   82    HA   CYS  23           HA       CYS  23  -1.361  -4.262  -6.584
   83    HB2  CYS  23           HB2      CYS  23  -2.555  -5.627  -4.261
   84    HB3  CYS  23           HB1      CYS  23  -3.701  -5.162  -5.512
   85    H    SER  24           HN       SER  24  -3.179  -3.295  -7.549
   86    HA   SER  24           HA       SER  24  -3.547  -0.615  -6.928
   87    HB2  SER  24           HB2      SER  24  -3.936  -1.612  -9.160
   88    HB3  SER  24           HB1      SER  24  -5.383  -2.404  -8.540
   89    HG   SER  24           HG       SER  24  -6.191  -0.605  -9.373
   90    H    GLY  25           HN       GLY  25  -4.496   0.228  -5.236
   91    HA2  GLY  25           HA2      GLY  25  -6.757   0.600  -4.218
   92    HA3  GLY  25           HA1      GLY  25  -6.823  -1.152  -4.046
   93    H    LEU  26           HN       LEU  26  -3.993  -1.333  -3.451
   94    HA   LEU  26           HA       LEU  26  -3.952  -0.209  -0.731
   95    HB2  LEU  26           HB2      LEU  26  -2.475  -2.581  -1.881
   96    HB3  LEU  26           HB1      LEU  26  -2.305  -1.981  -0.242
   97    HG   LEU  26           HG       LEU  26  -4.975  -2.883  -1.283
   98   HD11  LEU  26          HD11      LEU  26  -3.498  -4.746  -1.670
   99   HD12  LEU  26          HD12      LEU  26  -4.504  -5.078  -0.259
  100   HD13  LEU  26          HD13      LEU  26  -2.824  -4.586  -0.051
  101   HD21  LEU  26          HD21      LEU  26  -4.936  -1.600   0.788
  102   HD22  LEU  26          HD22      LEU  26  -3.763  -2.723   1.474
  103   HD23  LEU  26          HD23      LEU  26  -5.394  -3.274   1.097
  104    H    TRP  27           HN       TRP  27  -2.701   1.533  -0.604
  105    HA   TRP  27           HA       TRP  27  -0.566   1.810  -2.609
  106    HB2  TRP  27           HB2      TRP  27  -2.238   3.988  -1.340
  107    HB3  TRP  27           HB1      TRP  27  -0.934   4.245  -2.494
  108    HD1  TRP  27           HD1      TRP  27  -4.483   4.308  -2.502
  109    HE1  TRP  27           HE1      TRP  27  -5.503   3.715  -4.786
  110    HE3  TRP  27           HE3      TRP  27  -0.389   2.150  -4.675
  111    HZ2  TRP  27           HZ2      TRP  27  -4.676   2.492  -7.188
  112    HZ3  TRP  27           HZ3      TRP  27  -0.588   1.296  -6.968
  113    HH2  TRP  27           HH2      TRP  27  -2.689   1.460  -8.199
  114    H    CYS  28           HN       CYS  28   1.273   3.067  -2.004
  115    HA   CYS  28           HA       CYS  28   2.200   2.279   0.612
  116    HB2  CYS  28           HB2      CYS  28   3.502   2.043  -1.560
  117    HB3  CYS  28           HB1      CYS  28   3.719   3.789  -1.517
  118    H    SER  29           HN       SER  29   3.083   3.698   2.169
  119    HA   SER  29           HA       SER  29   1.730   6.246   2.295
  120    HB2  SER  29           HB2      SER  29   2.745   6.314   4.593
  121    HB3  SER  29           HB1      SER  29   1.752   4.891   4.286
  122    HG   SER  29           HG       SER  29   4.338   5.018   4.979
  123    H    GLY  30           HN       GLY  30   3.606   6.246   0.227
  124    HA2  GLY  30           HA2      GLY  30   5.271   7.589  -0.621
  125    HA3  GLY  30           HA1      GLY  30   5.226   8.493   0.888
  126    H    SER  31           HN       SER  31   6.337   5.410  -0.459
  127    HA   SER  31           HA       SER  31   8.110   4.076  -0.020
  128    HB2  SER  31           HB2      SER  31   9.414   6.644   0.917
  129    HB3  SER  31           HB1      SER  31  10.248   5.154   0.478
  130    HG   SER  31           HG       SER  31   9.601   5.422  -1.637
  131    H    GLY  32           HN       GLY  32   6.395   3.520   1.749
  132    HA2  GLY  32           HA2      GLY  32   7.895   3.242   4.233
  133    HA3  GLY  32           HA1      GLY  32   6.333   4.042   4.341
  134    H    HIS  33           HN       HIS  33   4.516   2.855   4.393
  135    HA   HIS  33           HA       HIS  33   4.693  -0.008   3.756
  136    HB2  HIS  33           HB2      HIS  33   3.562   1.181   6.298
  137    HB3  HIS  33           HB1      HIS  33   3.223  -0.460   5.768
  138    HD1  HIS  33           HD1      HIS  33   4.806  -2.210   6.560
  139    HD2  HIS  33           HD2      HIS  33   6.422   1.614   6.821
  140    HE1  HIS  33           HE1      HIS  33   7.014  -2.482   7.730
  141    HE2  HIS  33           HE2      HIS  33   7.873  -0.138   8.044
  142    H    CYS  34           HN       CYS  34   2.962  -0.758   2.662
  143    HA   CYS  34           HA       CYS  34   1.027   1.056   1.663
  144    HB2  CYS  34           HB2      CYS  34   1.198  -1.957   1.580
  145    HB3  CYS  34           HB1      CYS  34  -0.063  -1.039   0.764
  146    H    TYR  35           HN       TYR  35  -1.282   0.956   1.959
  147    HA   TYR  35           HA       TYR  35  -2.200  -0.250   4.446
  148    HB2  TYR  35           HB2      TYR  35  -3.148   1.920   5.223
  149    HB3  TYR  35           HB1      TYR  35  -1.390   1.903   5.204
  150    HD1  TYR  35           HD1      TYR  35  -0.156   3.198   3.505
  151    HD2  TYR  35           HD2      TYR  35  -4.397   3.385   3.791
  152    HE1  TYR  35           HE1      TYR  35  -0.155   5.231   2.125
  153    HE2  TYR  35           HE2      TYR  35  -4.404   5.417   2.412
  154    HH   TYR  35           HH       TYR  35  -2.856   7.242   1.814
  155    H    HIS  36           HN       HIS  36  -4.591   0.199   4.734
  156    HA   HIS  36           HA       HIS  36  -5.936  -0.602   2.356
  157    HB2  HIS  36           HB2      HIS  36  -6.972   0.170   5.092
  158    HB3  HIS  36           HB1      HIS  36  -8.009  -0.393   3.792
  159    HD1  HIS  36           HD1      HIS  36  -6.539  -1.610   6.720
  160    HD2  HIS  36           HD2      HIS  36  -6.865  -3.116   2.860
  161    HE1  HIS  36           HE1      HIS  36  -6.260  -4.097   6.939
  162    HE2  HIS  36           HE2      HIS  36  -6.597  -4.996   4.613
  163    H    ARG  37           HN       ARG  37  -5.455   1.247   0.979
  164    HA   ARG  37           HA       ARG  37  -6.532   3.826   1.716
  165    HB2  ARG  37           HB2      ARG  37  -4.415   3.324   0.300
  166    HB3  ARG  37           HB1      ARG  37  -5.542   3.081  -1.024
  167    HG2  ARG  37           HG2      ARG  37  -5.415   5.616   0.586
  168    HG3  ARG  37           HG1      ARG  37  -4.480   5.353  -0.881
  169    HD2  ARG  37           HD2      ARG  37  -6.716   4.849  -2.002
  170    HD3  ARG  37           HD1      ARG  37  -7.461   5.544  -0.564
  171    HE   ARG  37           HE       ARG  37  -5.461   7.197  -1.853
  172   HH11  ARG  37          HH11      ARG  37  -8.866   6.457  -1.514
  173   HH12  ARG  37          HH12      ARG  37  -9.387   7.944  -2.237
  174   HH21  ARG  37          HH21      ARG  37  -6.139   9.144  -2.805
  175   HH22  ARG  37          HH22      ARG  37  -7.833   9.479  -2.963
  176    H    ARG  38           HN       ARG  38  -7.070   1.677  -1.074
  177    HA   ARG  38           HA       ARG  38  -9.853   2.637  -1.143
  178    HB2  ARG  38           HB2      ARG  38  -8.487   3.014  -3.194
  179    HB3  ARG  38           HB1      ARG  38  -8.309   1.275  -3.351
  180    HG2  ARG  38           HG2      ARG  38 -10.703   1.025  -3.634
  181    HG3  ARG  38           HG1      ARG  38 -10.925   2.762  -3.410
  182    HD2  ARG  38           HD2      ARG  38  -9.516   3.159  -5.401
  183    HD3  ARG  38           HD1      ARG  38  -9.405   1.416  -5.639
  184    HE   ARG  38           HE       ARG  38 -12.094   1.966  -5.537
  185   HH11  ARG  38          HH11      ARG  38  -9.396   2.977  -7.513
  186   HH12  ARG  38          HH12      ARG  38 -10.367   3.259  -8.921
  187   HH21  ARG  38          HH21      ARG  38 -13.381   2.339  -7.378
  188   HH22  ARG  38          HH22      ARG  38 -12.636   2.891  -8.843
  189    H    TYR  39           HN       TYR  39  -7.811  -0.236  -1.225
  190    HA   TYR  39           HA       TYR  39 -10.135  -1.969  -0.995
  191    HB2  TYR  39           HB2      TYR  39  -8.235  -2.742  -2.353
  192    HB3  TYR  39           HB1      TYR  39  -7.180  -2.637  -0.948
  193    HD1  TYR  39           HD1      TYR  39 -10.322  -4.301  -2.088
  194    HD2  TYR  39           HD2      TYR  39  -6.845  -4.538   0.354
  195    HE1  TYR  39           HE1      TYR  39 -10.905  -6.613  -1.488
  196    HE2  TYR  39           HE2      TYR  39  -7.418  -6.851   0.956
  197    HH   TYR  39           HH       TYR  39  -9.711  -8.673  -0.690
  198    H    THR  40           HN       THR  40 -11.084  -2.025   0.913
  199    HA   THR  40           HA       THR  40  -9.428  -1.790   3.320
  200    HB   THR  40           HB       THR  40 -11.671  -1.259   4.430
  201    HG1  THR  40           HG1      THR  40 -12.758  -2.007   2.335
  202   HG21  THR  40          HG21      THR  40 -10.001   0.457   4.010
  203   HG22  THR  40          HG22      THR  40 -11.612   1.089   3.674
  204   HG23  THR  40          HG23      THR  40 -10.555   0.618   2.343
  Start of MODEL    3
    1    H1   CYS   9           HT1      CYS   9   1.701  -9.932  -4.032
    2    H2   CYS   9           HT2      CYS   9   3.238  -9.464  -4.549
    3    H3   CYS   9           HT3      CYS   9   1.930  -9.392  -5.618
    4    HA   CYS   9           HA       CYS   9   2.569  -7.215  -4.777
    5    HB2  CYS   9           HB2      CYS   9  -0.128  -8.342  -4.145
    6    HB3  CYS   9           HB1      CYS   9   0.234  -6.657  -3.813
    7    H    GLY  10           HN       GLY  10   2.473  -5.721  -3.014
    8    HA2  GLY  10           HA2      GLY  10   3.388  -6.633  -0.523
    9    HA3  GLY  10           HA1      GLY  10   2.779  -5.018  -0.876
   10    H    GLY  11           HN       GLY  11   0.974  -4.415   0.083
   11    HA2  GLY  11           HA2      GLY  11  -1.427  -5.343   0.424
   12    HA3  GLY  11           HA1      GLY  11  -0.592  -6.448   1.504
   13    H    ALA  12           HN       ALA  12  -2.230  -5.315   2.992
   14    HA   ALA  12           HA       ALA  12  -1.647  -2.619   3.747
   15    HB1  ALA  12           HB1      ALA  12  -3.886  -3.582   4.032
   16    HB2  ALA  12           HB2      ALA  12  -3.241  -2.979   5.555
   17    HB3  ALA  12           HB3      ALA  12  -3.246  -4.710   5.226
   18    H    GLY  13           HN       GLY  13   0.053  -1.990   4.860
   19    HA2  GLY  13           HA2      GLY  13   1.478  -1.915   6.716
   20    HA3  GLY  13           HA1      GLY  13   0.949  -3.529   7.164
   21    H    ALA  14           HN       ALA  14   1.720  -3.351   3.896
   22    HA   ALA  14           HA       ALA  14   4.144  -4.885   4.349
   23    HB1  ALA  14           HB1      ALA  14   2.524  -5.643   2.674
   24    HB2  ALA  14           HB2      ALA  14   4.092  -5.294   1.946
   25    HB3  ALA  14           HB3      ALA  14   2.763  -4.148   1.770
   26    H    LYS  15           HN       LYS  15   6.198  -4.255   3.776
   27    HA   LYS  15           HA       LYS  15   6.714  -1.458   3.722
   28    HB2  LYS  15           HB2      LYS  15   9.086  -2.119   3.436
   29    HB3  LYS  15           HB1      LYS  15   8.301  -2.917   4.788
   30    HG2  LYS  15           HG2      LYS  15   8.126  -4.960   3.582
   31    HG3  LYS  15           HG1      LYS  15   8.654  -4.186   2.091
   32    HD2  LYS  15           HD2      LYS  15  10.551  -5.302   2.848
   33    HD3  LYS  15           HD1      LYS  15  10.800  -3.637   3.362
   34    HE2  LYS  15           HE2      LYS  15   9.664  -5.785   5.143
   35    HE3  LYS  15           HE1      LYS  15  11.377  -5.395   5.064
   36    HZ1  LYS  15           HZ1      LYS  15  10.737  -3.079   5.693
   37    HZ2  LYS  15           HZ2      LYS  15  10.476  -4.238   6.892
   38    HZ3  LYS  15           HZ3      LYS  15   9.172  -3.648   5.996
   39    H    CYS  16           HN       CYS  16   7.343  -0.149   2.077
   40    HA   CYS  16           HA       CYS  16   7.396  -1.214  -0.640
   41    HB2  CYS  16           HB2      CYS  16   5.652   0.453  -1.331
   42    HB3  CYS  16           HB1      CYS  16   5.041  -0.839  -0.298
   43    H    SER  17           HN       SER  17   8.236   0.237  -2.179
   44    HA   SER  17           HA       SER  17   9.414   2.704  -1.083
   45    HB2  SER  17           HB2      SER  17  10.301   1.146  -3.527
   46    HB3  SER  17           HB1      SER  17  11.111   2.544  -2.819
   47    HG   SER  17           HG       SER  17  10.693   0.053  -1.513
   48    H    THR  18           HN       THR  18   7.515   1.211  -3.578
   49    HA   THR  18           HA       THR  18   6.452   3.854  -4.307
   50    HB   THR  18           HB       THR  18   6.079   2.955  -6.625
   51    HG1  THR  18           HG1      THR  18   7.372   0.763  -5.459
   52   HG21  THR  18          HG21      THR  18   8.971   3.099  -5.757
   53   HG22  THR  18          HG22      THR  18   7.949   4.474  -6.169
   54   HG23  THR  18          HG23      THR  18   8.376   3.292  -7.405
   55    H    LYS  19           HN       LYS  19   4.209   3.439  -5.498
   56    HA   LYS  19           HA       LYS  19   2.634   1.784  -3.771
   57    HB2  LYS  19           HB2      LYS  19   0.728   2.452  -5.119
   58    HB3  LYS  19           HB1      LYS  19   1.723   3.854  -4.755
   59    HG2  LYS  19           HG2      LYS  19   2.652   3.830  -6.976
   60    HG3  LYS  19           HG1      LYS  19   1.786   2.341  -7.356
   61    HD2  LYS  19           HD2      LYS  19  -0.346   3.523  -7.011
   62    HD3  LYS  19           HD1      LYS  19   0.546   5.011  -6.697
   63    HE2  LYS  19           HE2      LYS  19   0.614   3.429  -9.264
   64    HE3  LYS  19           HE1      LYS  19  -0.315   4.901  -8.995
   65    HZ1  LYS  19           HZ1      LYS  19   1.795   6.058  -8.565
   66    HZ2  LYS  19           HZ2      LYS  19   1.706   5.430 -10.129
   67    HZ3  LYS  19           HZ3      LYS  19   2.639   4.648  -8.959
   68    H    SER  20           HN       SER  20   4.323   1.317  -6.695
   69    HA   SER  20           HA       SER  20   2.798  -0.781  -7.821
   70    HB2  SER  20           HB2      SER  20   5.751  -0.243  -8.184
   71    HB3  SER  20           HB1      SER  20   4.680  -1.094  -9.296
   72    HG   SER  20           HG       SER  20   3.477   0.934  -9.417
   73    H    ASP  21           HN       ASP  21   4.929  -0.662  -5.148
   74    HA   ASP  21           HA       ASP  21   5.779  -3.384  -5.169
   75    HB2  ASP  21           HB2      ASP  21   5.571  -1.384  -2.904
   76    HB3  ASP  21           HB1      ASP  21   6.290  -2.981  -2.744
   77    H    CYS  22           HN       CYS  22   2.804  -1.927  -4.651
   78    HA   CYS  22           HA       CYS  22   1.784  -4.345  -3.345
   79    HB2  CYS  22           HB2      CYS  22   1.106  -1.490  -2.661
   80    HB3  CYS  22           HB1      CYS  22   0.165  -2.868  -2.112
   81    H    CYS  23           HN       CYS  23  -0.506  -4.736  -3.727
   82    HA   CYS  23           HA       CYS  23  -1.162  -4.399  -6.474
   83    HB2  CYS  23           HB2      CYS  23  -2.297  -5.818  -4.144
   84    HB3  CYS  23           HB1      CYS  23  -3.456  -5.354  -5.382
   85    H    SER  24           HN       SER  24  -3.125  -3.488  -7.296
   86    HA   SER  24           HA       SER  24  -3.441  -0.800  -6.640
   87    HB2  SER  24           HB2      SER  24  -5.347  -2.574  -8.180
   88    HB3  SER  24           HB1      SER  24  -5.278  -0.815  -8.252
   89    HG   SER  24           HG       SER  24  -3.477  -2.722  -9.267
   90    H    GLY  25           HN       GLY  25  -4.144  -0.182  -4.709
   91    HA2  GLY  25           HA2      GLY  25  -6.532   0.124  -3.703
   92    HA3  GLY  25           HA1      GLY  25  -6.357  -1.608  -3.424
   93    H    LEU  26           HN       LEU  26  -3.551  -1.535  -2.950
   94    HA   LEU  26           HA       LEU  26  -3.471  -0.212  -0.334
   95    HB2  LEU  26           HB2      LEU  26  -1.586  -2.259  -1.513
   96    HB3  LEU  26           HB1      LEU  26  -1.461  -1.572   0.088
   97    HG   LEU  26           HG       LEU  26  -2.377  -3.617   0.539
   98   HD11  LEU  26          HD11      LEU  26  -4.702  -3.337   1.130
   99   HD12  LEU  26          HD12      LEU  26  -4.816  -1.926   0.080
  100   HD13  LEU  26          HD13      LEU  26  -3.779  -1.884   1.507
  101   HD21  LEU  26          HD21      LEU  26  -2.639  -4.380  -1.731
  102   HD22  LEU  26          HD22      LEU  26  -4.071  -3.371  -1.936
  103   HD23  LEU  26          HD23      LEU  26  -4.100  -4.725  -0.805
  104    H    TRP  27           HN       TRP  27  -2.570   1.722  -0.301
  105    HA   TRP  27           HA       TRP  27  -0.664   2.417  -2.422
  106    HB2  TRP  27           HB2      TRP  27  -2.599   4.047  -0.806
  107    HB3  TRP  27           HB1      TRP  27  -1.223   4.815  -1.595
  108    HD1  TRP  27           HD1      TRP  27  -4.224   2.552  -2.588
  109    HE1  TRP  27           HE1      TRP  27  -4.932   3.192  -4.978
  110    HE3  TRP  27           HE3      TRP  27  -0.635   6.051  -3.584
  111    HZ2  TRP  27           HZ2      TRP  27  -4.075   4.946  -7.017
  112    HZ3  TRP  27           HZ3      TRP  27  -0.649   7.163  -5.777
  113    HH2  TRP  27           HH2      TRP  27  -2.335   6.622  -7.457
  114    H    CYS  28           HN       CYS  28   1.266   3.440  -1.953
  115    HA   CYS  28           HA       CYS  28   2.411   2.517   0.522
  116    HB2  CYS  28           HB2      CYS  28   3.546   2.333  -1.709
  117    HB3  CYS  28           HB1      CYS  28   3.727   4.084  -1.703
  118    H    SER  29           HN       SER  29   2.296   3.676   2.312
  119    HA   SER  29           HA       SER  29   1.958   6.548   2.258
  120    HB2  SER  29           HB2      SER  29   0.790   5.145   3.941
  121    HB3  SER  29           HB1      SER  29   2.351   4.662   4.604
  122    HG   SER  29           HG       SER  29   1.459   6.372   5.798
  123    H    GLY  30           HN       GLY  30   3.412   7.931   3.589
  124    HA2  GLY  30           HA2      GLY  30   6.057   7.746   2.608
  125    HA3  GLY  30           HA1      GLY  30   5.469   8.920   3.770
  126    H    SER  31           HN       SER  31   4.677   6.173   5.211
  127    HA   SER  31           HA       SER  31   7.032   6.117   6.880
  128    HB2  SER  31           HB2      SER  31   5.686   4.412   8.157
  129    HB3  SER  31           HB1      SER  31   4.890   5.977   7.977
  130    HG   SER  31           HG       SER  31   3.377   4.471   7.445
  131    H    GLY  32           HN       GLY  32   6.215   4.720   4.002
  132    HA2  GLY  32           HA2      GLY  32   7.421   3.138   2.797
  133    HA3  GLY  32           HA1      GLY  32   8.268   2.695   4.273
  134    H    HIS  33           HN       HIS  33   4.819   2.857   4.282
  135    HA   HIS  33           HA       HIS  33   4.617  -0.062   3.996
  136    HB2  HIS  33           HB2      HIS  33   3.381   1.582   6.226
  137    HB3  HIS  33           HB1      HIS  33   3.009  -0.107   5.903
  138    HD1  HIS  33           HD1      HIS  33   5.046   1.905   8.008
  139    HD2  HIS  33           HD2      HIS  33   5.550  -1.737   6.068
  140    HE1  HIS  33           HE1      HIS  33   6.945   0.766   9.192
  141    HE2  HIS  33           HE2      HIS  33   7.355  -1.340   7.877
  142    H    CYS  34           HN       CYS  34   2.864  -0.716   2.861
  143    HA   CYS  34           HA       CYS  34   1.181   1.252   1.612
  144    HB2  CYS  34           HB2      CYS  34   1.038  -1.771   1.563
  145    HB3  CYS  34           HB1      CYS  34   0.101  -0.695   0.543
  146    H    TYR  35           HN       TYR  35  -0.956   1.713   2.022
  147    HA   TYR  35           HA       TYR  35  -2.235   0.184   4.189
  148    HB2  TYR  35           HB2      TYR  35  -3.332   2.197   4.993
  149    HB3  TYR  35           HB1      TYR  35  -1.591   2.431   4.989
  150    HD1  TYR  35           HD1      TYR  35  -4.765   3.621   3.783
  151    HD2  TYR  35           HD2      TYR  35  -0.562   3.845   3.168
  152    HE1  TYR  35           HE1      TYR  35  -5.067   5.702   2.516
  153    HE2  TYR  35           HE2      TYR  35  -0.852   5.930   1.896
  154    HH   TYR  35           HH       TYR  35  -3.771   7.678   1.892
  155    H    HIS  36           HN       HIS  36  -4.597   0.182   4.108
  156    HA   HIS  36           HA       HIS  36  -5.385  -0.555   1.438
  157    HB2  HIS  36           HB2      HIS  36  -5.888  -1.778   3.665
  158    HB3  HIS  36           HB1      HIS  36  -7.164  -0.587   3.869
  159    HD1  HIS  36           HD1      HIS  36  -6.456  -3.809   2.355
  160    HD2  HIS  36           HD2      HIS  36  -9.158  -0.714   1.710
  161    HE1  HIS  36           HE1      HIS  36  -8.295  -4.794   0.960
  162    HE2  HIS  36           HE2      HIS  36  -9.831  -2.867   0.447
  163    H    ARG  37           HN       ARG  37  -5.216   1.747   0.675
  164    HA   ARG  37           HA       ARG  37  -6.932   3.755   1.670
  165    HB2  ARG  37           HB2      ARG  37  -4.869   4.125   0.253
  166    HB3  ARG  37           HB1      ARG  37  -5.839   3.651  -1.139
  167    HG2  ARG  37           HG2      ARG  37  -7.440   5.468  -0.541
  168    HG3  ARG  37           HG1      ARG  37  -6.289   6.002   0.682
  169    HD2  ARG  37           HD2      ARG  37  -5.849   7.363  -1.168
  170    HD3  ARG  37           HD1      ARG  37  -4.594   6.126  -1.226
  171    HE   ARG  37           HE       ARG  37  -6.633   5.154  -2.784
  172   HH11  ARG  37          HH11      ARG  37  -4.638   8.025  -2.774
  173   HH12  ARG  37          HH12      ARG  37  -4.734   8.253  -4.491
  174   HH21  ARG  37          HH21      ARG  37  -6.795   5.472  -5.042
  175   HH22  ARG  37          HH22      ARG  37  -5.958   6.801  -5.780
  176    H    ARG  38           HN       ARG  38  -7.392   1.227  -0.669
  177    HA   ARG  38           HA       ARG  38  -9.544   2.035  -2.142
  178    HB2  ARG  38           HB2      ARG  38  -8.496  -0.150  -2.424
  179    HB3  ARG  38           HB1      ARG  38  -9.140  -0.677  -0.881
  180    HG2  ARG  38           HG2      ARG  38 -10.490  -1.623  -2.586
  181    HG3  ARG  38           HG1      ARG  38 -11.431  -0.355  -1.798
  182    HD2  ARG  38           HD2      ARG  38 -11.772  -0.110  -4.130
  183    HD3  ARG  38           HD1      ARG  38 -10.685   1.184  -3.631
  184    HE   ARG  38           HE       ARG  38  -9.415  -1.224  -4.624
  185   HH11  ARG  38          HH11      ARG  38 -10.602   1.979  -5.389
  186   HH12  ARG  38          HH12      ARG  38  -9.626   2.137  -6.814
  187   HH21  ARG  38          HH21      ARG  38  -8.140  -1.026  -6.486
  188   HH22  ARG  38          HH22      ARG  38  -8.208   0.428  -7.431
  189    H    TYR  39           HN       TYR  39  -9.577   0.996   1.230
  190    HA   TYR  39           HA       TYR  39 -12.184   2.194   1.572
  191    HB2  TYR  39           HB2      TYR  39 -12.656  -0.157   0.854
  192    HB3  TYR  39           HB1      TYR  39 -11.781  -0.722   2.271
  193    HD1  TYR  39           HD1      TYR  39 -12.973  -1.165   4.210
  194    HD2  TYR  39           HD2      TYR  39 -14.624   1.508   1.346
  195    HE1  TYR  39           HE1      TYR  39 -15.042  -1.039   5.531
  196    HE2  TYR  39           HE2      TYR  39 -16.697   1.647   2.659
  197    HH   TYR  39           HH       TYR  39 -16.942   0.549   5.839
  198    H    THR  40           HN       THR  40 -10.838   3.592   2.832
  199    HA   THR  40           HA       THR  40 -10.566   2.600   5.563
  200    HB   THR  40           HB       THR  40  -8.453   4.274   5.539
  201    HG1  THR  40           HG1      THR  40  -8.116   2.891   3.094
  202   HG21  THR  40          HG21      THR  40  -8.446   1.998   6.430
  203   HG22  THR  40          HG22      THR  40  -7.019   2.281   5.435
  204   HG23  THR  40          HG23      THR  40  -8.368   1.346   4.794
  Start of MODEL    4
    1    H1   CYS   9           HT1      CYS   9   1.745  -9.389  -6.255
    2    H2   CYS   9           HT2      CYS   9   0.974  -9.706  -4.784
    3    H3   CYS   9           HT3      CYS   9   2.641  -9.932  -4.928
    4    HA   CYS   9           HA       CYS   9   2.990  -7.591  -5.239
    5    HB2  CYS   9           HB2      CYS   9   1.173  -6.014  -5.104
    6    HB3  CYS   9           HB1      CYS   9   0.759  -7.205  -6.331
    7    H    GLY  10           HN       GLY  10   2.674  -5.927  -3.412
    8    HA2  GLY  10           HA2      GLY  10   3.126  -7.142  -0.905
    9    HA3  GLY  10           HA1      GLY  10   2.871  -5.429  -1.213
   10    H    GLY  11           HN       GLY  11   1.501  -4.927   0.408
   11    HA2  GLY  11           HA2      GLY  11  -1.215  -5.353   0.161
   12    HA3  GLY  11           HA1      GLY  11  -0.632  -6.582   1.273
   13    H    ALA  12           HN       ALA  12  -2.148  -5.373   2.720
   14    HA   ALA  12           HA       ALA  12  -1.512  -2.694   3.470
   15    HB1  ALA  12           HB1      ALA  12  -3.254  -4.707   4.888
   16    HB2  ALA  12           HB2      ALA  12  -3.788  -3.596   3.626
   17    HB3  ALA  12           HB3      ALA  12  -3.222  -2.967   5.172
   18    H    GLY  13           HN       GLY  13   0.076  -2.065   4.727
   19    HA2  GLY  13           HA2      GLY  13   1.300  -1.999   6.735
   20    HA3  GLY  13           HA1      GLY  13   0.831  -3.660   7.056
   21    H    ALA  14           HN       ALA  14   1.743  -3.656   3.927
   22    HA   ALA  14           HA       ALA  14   4.275  -4.902   4.567
   23    HB1  ALA  14           HB1      ALA  14   4.350  -5.471   2.190
   24    HB2  ALA  14           HB2      ALA  14   2.932  -4.463   1.900
   25    HB3  ALA  14           HB3      ALA  14   2.796  -5.909   2.900
   26    H    LYS  15           HN       LYS  15   6.300  -4.225   3.832
   27    HA   LYS  15           HA       LYS  15   6.712  -1.415   3.771
   28    HB2  LYS  15           HB2      LYS  15   9.080  -1.990   3.346
   29    HB3  LYS  15           HB1      LYS  15   8.408  -2.903   4.688
   30    HG2  LYS  15           HG2      LYS  15   8.154  -4.853   3.272
   31    HG3  LYS  15           HG1      LYS  15   8.749  -3.942   1.883
   32    HD2  LYS  15           HD2      LYS  15  10.905  -3.664   2.957
   33    HD3  LYS  15           HD1      LYS  15  10.314  -4.481   4.404
   34    HE2  LYS  15           HE2      LYS  15  11.663  -5.981   3.033
   35    HE3  LYS  15           HE1      LYS  15   9.992  -6.532   3.129
   36    HZ1  LYS  15           HZ1      LYS  15   9.593  -5.579   0.941
   37    HZ2  LYS  15           HZ2      LYS  15  10.847  -6.709   0.882
   38    HZ3  LYS  15           HZ3      LYS  15  11.202  -5.056   0.851
   39    H    CYS  16           HN       CYS  16   7.422  -0.102   2.073
   40    HA   CYS  16           HA       CYS  16   7.369  -1.161  -0.634
   41    HB2  CYS  16           HB2      CYS  16   5.645   0.519  -1.326
   42    HB3  CYS  16           HB1      CYS  16   5.020  -0.742  -0.266
   43    H    SER  17           HN       SER  17   8.127   0.352  -2.209
   44    HA   SER  17           HA       SER  17   9.290   2.827  -1.102
   45    HB2  SER  17           HB2      SER  17  10.157   1.330  -3.592
   46    HB3  SER  17           HB1      SER  17  10.943   2.742  -2.885
   47    HG   SER  17           HG       SER  17  10.591   0.326  -1.454
   48    H    THR  18           HN       THR  18   7.197   1.307  -3.298
   49    HA   THR  18           HA       THR  18   6.064   3.869  -4.106
   50    HB   THR  18           HB       THR  18   5.736   2.849  -6.440
   51    HG1  THR  18           HG1      THR  18   7.160   0.879  -5.228
   52   HG21  THR  18          HG21      THR  18   8.543   3.581  -5.595
   53   HG22  THR  18          HG22      THR  18   7.269   4.718  -6.032
   54   HG23  THR  18          HG23      THR  18   7.918   3.615  -7.244
   55    H    LYS  19           HN       LYS  19   3.803   3.466  -5.062
   56    HA   LYS  19           HA       LYS  19   2.414   1.567  -3.456
   57    HB2  LYS  19           HB2      LYS  19   0.410   2.230  -4.648
   58    HB3  LYS  19           HB1      LYS  19   1.350   3.653  -4.236
   59    HG2  LYS  19           HG2      LYS  19   2.120   3.887  -6.483
   60    HG3  LYS  19           HG1      LYS  19   1.413   2.335  -6.936
   61    HD2  LYS  19           HD2      LYS  19  -0.822   3.229  -6.465
   62    HD3  LYS  19           HD1      LYS  19  -0.105   4.784  -6.040
   63    HE2  LYS  19           HE2      LYS  19   0.772   5.011  -8.300
   64    HE3  LYS  19           HE1      LYS  19   0.106   3.437  -8.727
   65    HZ1  LYS  19           HZ1      LYS  19  -2.110   4.306  -8.328
   66    HZ2  LYS  19           HZ2      LYS  19  -1.309   5.233  -9.490
   67    HZ3  LYS  19           HZ3      LYS  19  -1.472   5.815  -7.912
   68    H    SER  20           HN       SER  20   3.965   1.438  -6.489
   69    HA   SER  20           HA       SER  20   2.507  -0.670  -7.686
   70    HB2  SER  20           HB2      SER  20   5.372   0.150  -8.195
   71    HB3  SER  20           HB1      SER  20   4.312  -0.735  -9.294
   72    HG   SER  20           HG       SER  20   4.605   1.740  -9.415
   73    H    ASP  21           HN       ASP  21   4.689  -0.643  -5.086
   74    HA   ASP  21           HA       ASP  21   5.721  -3.292  -5.388
   75    HB2  ASP  21           HB2      ASP  21   5.433  -1.529  -2.943
   76    HB3  ASP  21           HB1      ASP  21   6.228  -3.098  -2.931
   77    H    CYS  22           HN       CYS  22   2.744  -1.935  -4.438
   78    HA   CYS  22           HA       CYS  22   1.803  -4.558  -3.503
   79    HB2  CYS  22           HB2      CYS  22   0.963  -1.837  -2.497
   80    HB3  CYS  22           HB1      CYS  22   0.261  -3.365  -1.984
   81    H    CYS  23           HN       CYS  23  -0.700  -4.666  -3.699
   82    HA   CYS  23           HA       CYS  23  -1.346  -4.124  -6.429
   83    HB2  CYS  23           HB2      CYS  23  -2.891  -5.318  -4.137
   84    HB3  CYS  23           HB1      CYS  23  -3.635  -5.027  -5.704
   85    H    SER  24           HN       SER  24  -3.413  -3.069  -7.029
   86    HA   SER  24           HA       SER  24  -3.001  -0.369  -6.707
   87    HB2  SER  24           HB2      SER  24  -5.567  -1.681  -7.603
   88    HB3  SER  24           HB1      SER  24  -5.015  -0.057  -8.010
   89    HG   SER  24           HG       SER  24  -4.250  -2.507  -9.037
   90    H    GLY  25           HN       GLY  25  -5.013  -2.426  -4.739
   91    HA2  GLY  25           HA2      GLY  25  -6.677  -0.320  -3.729
   92    HA3  GLY  25           HA1      GLY  25  -6.548  -1.947  -3.081
   93    H    LEU  26           HN       LEU  26  -3.484  -1.259  -3.103
   94    HA   LEU  26           HA       LEU  26  -3.555  -0.019  -0.433
   95    HB2  LEU  26           HB2      LEU  26  -1.425  -1.832  -1.579
   96    HB3  LEU  26           HB1      LEU  26  -1.459  -1.166   0.034
   97    HG   LEU  26           HG       LEU  26  -2.081  -3.380   0.328
   98   HD11  LEU  26          HD11      LEU  26  -4.411  -3.364   1.010
   99   HD12  LEU  26          HD12      LEU  26  -4.668  -1.868   0.112
  100   HD13  LEU  26          HD13      LEU  26  -3.579  -1.888   1.500
  101   HD21  LEU  26          HD21      LEU  26  -3.741  -4.561  -1.016
  102   HD22  LEU  26          HD22      LEU  26  -2.391  -3.986  -1.995
  103   HD23  LEU  26          HD23      LEU  26  -3.933  -3.130  -2.031
  104    H    TRP  27           HN       TRP  27  -2.682   1.932  -0.264
  105    HA   TRP  27           HA       TRP  27  -0.918   2.903  -2.399
  106    HB2  TRP  27           HB2      TRP  27  -2.482   4.334  -0.244
  107    HB3  TRP  27           HB1      TRP  27  -1.296   5.145  -1.257
  108    HD1  TRP  27           HD1      TRP  27  -3.507   2.572  -2.966
  109    HE1  TRP  27           HE1      TRP  27  -5.188   3.791  -4.488
  110    HE3  TRP  27           HE3      TRP  27  -2.638   7.377  -1.449
  111    HZ2  TRP  27           HZ2      TRP  27  -6.033   6.440  -4.975
  112    HZ3  TRP  27           HZ3      TRP  27  -3.925   9.194  -2.492
  113    HH2  TRP  27           HH2      TRP  27  -5.587   8.734  -4.220
  114    H    CYS  28           HN       CYS  28   1.128   3.765  -1.913
  115    HA   CYS  28           HA       CYS  28   2.286   2.667   0.527
  116    HB2  CYS  28           HB2      CYS  28   3.407   2.262  -1.638
  117    HB3  CYS  28           HB1      CYS  28   3.611   3.996  -1.849
  118    H    SER  29           HN       SER  29   3.000   3.883   2.210
  119    HA   SER  29           HA       SER  29   2.309   6.664   2.297
  120    HB2  SER  29           HB2      SER  29   3.396   6.536   4.584
  121    HB3  SER  29           HB1      SER  29   2.056   5.421   4.324
  122    HG   SER  29           HG       SER  29   4.129   4.616   5.305
  123    H    GLY  30           HN       GLY  30   3.787   6.861   0.267
  124    HA2  GLY  30           HA2      GLY  30   5.601   8.052  -0.552
  125    HA3  GLY  30           HA1      GLY  30   6.228   8.168   1.087
  126    H    SER  31           HN       SER  31   7.124   6.161   2.010
  127    HA   SER  31           HA       SER  31   7.868   4.034   0.235
  128    HB2  SER  31           HB2      SER  31   9.557   5.784  -0.300
  129    HB3  SER  31           HB1      SER  31  10.068   5.771   1.386
  130    HG   SER  31           HG       SER  31  10.294   3.354   0.896
  131    H    GLY  32           HN       GLY  32   6.340   4.215   2.581
  132    HA2  GLY  32           HA2      GLY  32   8.092   2.945   4.587
  133    HA3  GLY  32           HA1      GLY  32   6.629   3.837   4.977
  134    H    HIS  33           HN       HIS  33   4.583   2.914   4.395
  135    HA   HIS  33           HA       HIS  33   4.657   0.001   3.962
  136    HB2  HIS  33           HB2      HIS  33   3.056   1.441   6.096
  137    HB3  HIS  33           HB1      HIS  33   2.853  -0.254   5.670
  138    HD1  HIS  33           HD1      HIS  33   4.392   1.744   8.126
  139    HD2  HIS  33           HD2      HIS  33   5.566  -1.632   6.002
  140    HE1  HIS  33           HE1      HIS  33   6.227   0.695   9.487
  141    HE2  HIS  33           HE2      HIS  33   7.004  -1.280   8.124
  142    H    CYS  34           HN       CYS  34   2.926  -0.829   2.848
  143    HA   CYS  34           HA       CYS  34   1.270   1.001   1.372
  144    HB2  CYS  34           HB2      CYS  34   1.280  -2.018   1.543
  145    HB3  CYS  34           HB1      CYS  34   0.287  -1.092   0.437
  146    H    TYR  35           HN       TYR  35  -0.545   1.867   2.188
  147    HA   TYR  35           HA       TYR  35  -1.965   0.362   4.275
  148    HB2  TYR  35           HB2      TYR  35  -3.013   2.501   4.907
  149    HB3  TYR  35           HB1      TYR  35  -1.261   2.571   5.008
  150    HD1  TYR  35           HD1      TYR  35  -4.228   3.781   3.229
  151    HD2  TYR  35           HD2      TYR  35   0.011   3.998   3.514
  152    HE1  TYR  35           HE1      TYR  35  -4.246   5.822   1.861
  153    HE2  TYR  35           HE2      TYR  35   0.004   6.038   2.141
  154    HH   TYR  35           HH       TYR  35  -1.359   7.207   0.572
  155    H    HIS  36           HN       HIS  36  -4.207   0.071   4.168
  156    HA   HIS  36           HA       HIS  36  -5.110  -0.349   1.492
  157    HB2  HIS  36           HB2      HIS  36  -7.116  -1.348   2.479
  158    HB3  HIS  36           HB1      HIS  36  -5.654  -1.991   3.201
  159    HD1  HIS  36           HD1      HIS  36  -8.367  -2.281   4.590
  160    HD2  HIS  36           HD2      HIS  36  -5.706   0.826   5.350
  161    HE1  HIS  36           HE1      HIS  36  -8.932  -1.449   6.894
  162    HE2  HIS  36           HE2      HIS  36  -7.267   0.381   7.363
  163    H    ARG  37           HN       ARG  37  -5.449   1.470   0.392
  164    HA   ARG  37           HA       ARG  37  -7.102   3.581   1.526
  165    HB2  ARG  37           HB2      ARG  37  -5.080   4.174   0.255
  166    HB3  ARG  37           HB1      ARG  37  -5.742   3.380  -1.165
  167    HG2  ARG  37           HG2      ARG  37  -6.007   5.766  -1.355
  168    HG3  ARG  37           HG1      ARG  37  -7.589   5.001  -1.192
  169    HD2  ARG  37           HD2      ARG  37  -7.715   5.637   1.126
  170    HD3  ARG  37           HD1      ARG  37  -6.063   6.251   1.090
  171    HE   ARG  37           HE       ARG  37  -7.497   7.620  -0.859
  172   HH11  ARG  37          HH11      ARG  37  -7.528   7.288   2.631
  173   HH12  ARG  37          HH12      ARG  37  -8.143   8.888   2.896
  174   HH21  ARG  37          HH21      ARG  37  -8.296   9.708  -0.513
  175   HH22  ARG  37          HH22      ARG  37  -8.577  10.269   1.107
  176    H    ARG  38           HN       ARG  38  -7.118   1.345  -1.213
  177    HA   ARG  38           HA       ARG  38 -10.041   1.683  -1.340
  178    HB2  ARG  38           HB2      ARG  38  -8.088   1.202  -3.584
  179    HB3  ARG  38           HB1      ARG  38  -9.824   1.001  -3.760
  180    HG2  ARG  38           HG2      ARG  38  -8.534   3.574  -2.889
  181    HG3  ARG  38           HG1      ARG  38  -8.902   3.183  -4.567
  182    HD2  ARG  38           HD2      ARG  38 -10.696   4.509  -3.752
  183    HD3  ARG  38           HD1      ARG  38 -11.289   2.855  -3.871
  184    HE   ARG  38           HE       ARG  38 -10.288   3.529  -1.257
  185   HH11  ARG  38          HH11      ARG  38 -13.077   3.651  -3.371
  186   HH12  ARG  38          HH12      ARG  38 -14.220   3.751  -2.072
  187   HH21  ARG  38          HH21      ARG  38 -11.791   3.663   0.456
  188   HH22  ARG  38          HH22      ARG  38 -13.489   3.742   0.105
  189    H    TYR  39           HN       TYR  39  -8.395  -0.108   0.231
  190    HA   TYR  39           HA       TYR  39  -9.656  -2.611  -0.630
  191    HB2  TYR  39           HB2      TYR  39  -7.117  -2.523  -1.049
  192    HB3  TYR  39           HB1      TYR  39  -6.943  -2.535   0.701
  193    HD1  TYR  39           HD1      TYR  39  -6.937  -4.571   1.870
  194    HD2  TYR  39           HD2      TYR  39  -8.388  -4.471  -2.129
  195    HE1  TYR  39           HE1      TYR  39  -7.063  -7.025   1.860
  196    HE2  TYR  39           HE2      TYR  39  -8.518  -6.928  -2.147
  197    HH   TYR  39           HH       TYR  39  -8.321  -8.804   0.647
  198    H    THR  40           HN       THR  40 -10.840  -0.833   1.004
  199    HA   THR  40           HA       THR  40 -10.297  -1.675   3.751
  200    HB   THR  40           HB       THR  40 -11.959   0.198   4.286
  201    HG1  THR  40           HG1      THR  40 -12.740   0.339   2.078
  202   HG21  THR  40          HG21      THR  40  -9.374   0.931   2.908
  203   HG22  THR  40          HG22      THR  40  -9.524   0.399   4.583
  204   HG23  THR  40          HG23      THR  40 -10.251   1.922   4.075
  Start of MODEL    5
    1    H1   CYS   9           HT1      CYS   9   2.594  -8.890  -4.719
    2    H2   CYS   9           HT2      CYS   9   1.259  -8.761  -5.747
    3    H3   CYS   9           HT3      CYS   9   1.077  -9.417  -4.200
    4    HA   CYS   9           HA       CYS   9   1.869  -6.639  -4.783
    5    HB2  CYS   9           HB2      CYS   9  -0.762  -7.840  -3.989
    6    HB3  CYS   9           HB1      CYS   9  -0.397  -6.141  -3.745
    7    H    GLY  10           HN       GLY  10   2.418  -5.424  -3.072
    8    HA2  GLY  10           HA2      GLY  10   3.578  -6.338  -0.823
    9    HA3  GLY  10           HA1      GLY  10   2.801  -4.763  -0.919
   10    H    GLY  11           HN       GLY  11   0.638  -4.550  -0.189
   11    HA2  GLY  11           HA2      GLY  11  -1.318  -5.822   0.752
   12    HA3  GLY  11           HA1      GLY  11  -0.121  -6.637   1.752
   13    H    ALA  12           HN       ALA  12  -2.138  -5.446   3.046
   14    HA   ALA  12           HA       ALA  12  -1.595  -2.727   3.730
   15    HB1  ALA  12           HB1      ALA  12  -3.267  -4.774   5.189
   16    HB2  ALA  12           HB2      ALA  12  -3.841  -3.679   3.931
   17    HB3  ALA  12           HB3      ALA  12  -3.276  -3.034   5.473
   18    H    GLY  13           HN       GLY  13   0.238  -2.198   4.706
   19    HA2  GLY  13           HA2      GLY  13   1.498  -2.014   6.712
   20    HA3  GLY  13           HA1      GLY  13   0.991  -3.637   7.150
   21    H    ALA  14           HN       ALA  14   1.872  -3.457   3.906
   22    HA   ALA  14           HA       ALA  14   4.377  -4.847   4.461
   23    HB1  ALA  14           HB1      ALA  14   3.034  -4.302   1.819
   24    HB2  ALA  14           HB2      ALA  14   2.785  -5.745   2.802
   25    HB3  ALA  14           HB3      ALA  14   4.375  -5.411   2.116
   26    H    LYS  15           HN       LYS  15   6.366  -4.021   4.102
   27    HA   LYS  15           HA       LYS  15   6.661  -1.224   3.787
   28    HB2  LYS  15           HB2      LYS  15   9.070  -1.649   3.743
   29    HB3  LYS  15           HB1      LYS  15   8.275  -2.477   5.073
   30    HG2  LYS  15           HG2      LYS  15   8.495  -4.571   4.046
   31    HG3  LYS  15           HG1      LYS  15   8.896  -3.851   2.483
   32    HD2  LYS  15           HD2      LYS  15  10.892  -4.738   3.572
   33    HD3  LYS  15           HD1      LYS  15  10.975  -2.983   3.410
   34    HE2  LYS  15           HE2      LYS  15  10.220  -2.767   5.748
   35    HE3  LYS  15           HE1      LYS  15  10.245  -4.522   5.897
   36    HZ1  LYS  15           HZ1      LYS  15  12.597  -2.824   5.270
   37    HZ2  LYS  15           HZ2      LYS  15  12.608  -4.500   5.478
   38    HZ3  LYS  15           HZ3      LYS  15  12.250  -3.490   6.783
   39    H    CYS  16           HN       CYS  16   7.409  -0.023   2.081
   40    HA   CYS  16           HA       CYS  16   7.533  -1.329  -0.535
   41    HB2  CYS  16           HB2      CYS  16   5.876   0.532  -1.288
   42    HB3  CYS  16           HB1      CYS  16   5.237  -0.900  -0.483
   43    H    SER  17           HN       SER  17   8.458  -0.052  -2.168
   44    HA   SER  17           HA       SER  17   9.837   2.378  -1.245
   45    HB2  SER  17           HB2      SER  17  10.373   0.735  -3.740
   46    HB3  SER  17           HB1      SER  17  11.373   2.037  -3.096
   47    HG   SER  17           HG       SER  17  10.884  -0.510  -1.930
   48    H    THR  18           HN       THR  18   7.609   1.000  -3.492
   49    HA   THR  18           HA       THR  18   6.734   3.690  -4.297
   50    HB   THR  18           HB       THR  18   6.150   2.741  -6.537
   51    HG1  THR  18           HG1      THR  18   7.262   0.458  -5.346
   52   HG21  THR  18          HG21      THR  18   8.420   2.735  -7.457
   53   HG22  THR  18          HG22      THR  18   9.079   2.557  -5.831
   54   HG23  THR  18          HG23      THR  18   8.212   4.026  -6.274
   55    H    LYS  19           HN       LYS  19   4.409   3.671  -4.966
   56    HA   LYS  19           HA       LYS  19   2.834   1.955  -3.309
   57    HB2  LYS  19           HB2      LYS  19   0.893   3.020  -4.393
   58    HB3  LYS  19           HB1      LYS  19   2.048   4.194  -3.776
   59    HG2  LYS  19           HG2      LYS  19   2.968   4.363  -6.107
   60    HG3  LYS  19           HG1      LYS  19   1.592   3.392  -6.635
   61    HD2  LYS  19           HD2      LYS  19   0.053   5.069  -5.784
   62    HD3  LYS  19           HD1      LYS  19   1.405   6.025  -5.172
   63    HE2  LYS  19           HE2      LYS  19   2.240   6.264  -7.482
   64    HE3  LYS  19           HE1      LYS  19   0.830   5.379  -8.061
   65    HZ1  LYS  19           HZ1      LYS  19   0.531   7.767  -8.260
   66    HZ2  LYS  19           HZ2      LYS  19   0.757   7.960  -6.595
   67    HZ3  LYS  19           HZ3      LYS  19  -0.586   7.112  -7.173
   68    H    SER  20           HN       SER  20   4.221   1.654  -6.362
   69    HA   SER  20           HA       SER  20   2.348  -0.152  -7.532
   70    HB2  SER  20           HB2      SER  20   5.268   0.246  -8.203
   71    HB3  SER  20           HB1      SER  20   4.044  -0.498  -9.233
   72    HG   SER  20           HG       SER  20   4.679   1.909  -9.419
   73    H    ASP  21           HN       ASP  21   4.744  -0.472  -5.113
   74    HA   ASP  21           HA       ASP  21   5.435  -3.195  -5.475
   75    HB2  ASP  21           HB2      ASP  21   5.376  -1.443  -3.014
   76    HB3  ASP  21           HB1      ASP  21   5.890  -3.123  -2.961
   77    H    CYS  22           HN       CYS  22   2.600  -1.623  -4.444
   78    HA   CYS  22           HA       CYS  22   1.485  -4.160  -3.467
   79    HB2  CYS  22           HB2      CYS  22   0.825  -1.335  -2.627
   80    HB3  CYS  22           HB1      CYS  22  -0.071  -2.760  -2.104
   81    H    CYS  23           HN       CYS  23  -0.908  -4.302  -3.760
   82    HA   CYS  23           HA       CYS  23  -1.609  -3.968  -6.471
   83    HB2  CYS  23           HB2      CYS  23  -2.920  -4.958  -4.001
   84    HB3  CYS  23           HB1      CYS  23  -3.987  -4.467  -5.303
   85    H    SER  24           HN       SER  24  -3.598  -2.840  -7.213
   86    HA   SER  24           HA       SER  24  -3.223  -0.069  -6.808
   87    HB2  SER  24           HB2      SER  24  -5.451  -1.520  -8.255
   88    HB3  SER  24           HB1      SER  24  -5.092   0.201  -8.394
   89    HG   SER  24           HG       SER  24  -3.165  -1.804  -8.963
   90    H    GLY  25           HN       GLY  25  -5.273  -2.341  -5.237
   91    HA2  GLY  25           HA2      GLY  25  -7.196  -0.429  -4.281
   92    HA3  GLY  25           HA1      GLY  25  -6.977  -2.072  -3.698
   93    H    LEU  26           HN       LEU  26  -4.003  -0.962  -3.602
   94    HA   LEU  26           HA       LEU  26  -4.227   0.283  -0.939
   95    HB2  LEU  26           HB2      LEU  26  -2.027  -1.581  -1.827
   96    HB3  LEU  26           HB1      LEU  26  -2.313  -0.967  -0.214
   97    HG   LEU  26           HG       LEU  26  -4.322  -2.733  -1.573
   98   HD11  LEU  26          HD11      LEU  26  -3.267  -4.622  -0.360
   99   HD12  LEU  26          HD12      LEU  26  -1.894  -3.572  -0.003
  100   HD13  LEU  26          HD13      LEU  26  -2.290  -3.976  -1.677
  101   HD21  LEU  26          HD21      LEU  26  -3.690  -2.091   1.305
  102   HD22  LEU  26          HD22      LEU  26  -4.864  -3.298   0.780
  103   HD23  LEU  26          HD23      LEU  26  -5.115  -1.599   0.388
  104    H    TRP  27           HN       TRP  27  -2.013   1.353  -0.402
  105    HA   TRP  27           HA       TRP  27  -0.342   2.041  -2.610
  106    HB2  TRP  27           HB2      TRP  27  -0.686   4.465  -2.558
  107    HB3  TRP  27           HB1      TRP  27  -2.142   3.622  -3.057
  108    HD1  TRP  27           HD1      TRP  27  -3.091   2.976   0.048
  109    HE1  TRP  27           HE1      TRP  27  -4.157   4.919   1.359
  110    HE3  TRP  27           HE3      TRP  27  -1.271   6.886  -2.686
  111    HZ2  TRP  27           HZ2      TRP  27  -4.212   7.736   1.246
  112    HZ3  TRP  27           HZ3      TRP  27  -1.878   9.174  -2.021
  113    HH2  TRP  27           HH2      TRP  27  -3.319   9.587  -0.096
  114    H    CYS  28           HN       CYS  28   1.444   3.463  -1.948
  115    HA   CYS  28           HA       CYS  28   2.357   2.460   0.618
  116    HB2  CYS  28           HB2      CYS  28   3.681   2.189  -1.490
  117    HB3  CYS  28           HB1      CYS  28   3.894   3.933  -1.526
  118    H    SER  29           HN       SER  29   3.148   3.733   2.279
  119    HA   SER  29           HA       SER  29   2.201   6.441   2.420
  120    HB2  SER  29           HB2      SER  29   3.287   6.380   4.686
  121    HB3  SER  29           HB1      SER  29   2.112   5.092   4.421
  122    HG   SER  29           HG       SER  29   4.706   4.897   5.044
  123    H    GLY  30           HN       GLY  30   3.603   6.811   0.375
  124    HA2  GLY  30           HA2      GLY  30   5.349   8.085  -0.475
  125    HA3  GLY  30           HA1      GLY  30   6.039   8.167   1.143
  126    H    SER  31           HN       SER  31   7.164   6.299   1.944
  127    HA   SER  31           HA       SER  31   7.813   4.170   0.103
  128    HB2  SER  31           HB2      SER  31   9.452   5.914  -0.506
  129    HB3  SER  31           HB1      SER  31   9.997   5.984   1.168
  130    HG   SER  31           HG       SER  31  10.344   3.584   0.805
  131    H    GLY  32           HN       GLY  32   6.409   4.331   2.556
  132    HA2  GLY  32           HA2      GLY  32   8.273   3.058   4.449
  133    HA3  GLY  32           HA1      GLY  32   6.765   3.841   4.898
  134    H    HIS  33           HN       HIS  33   4.774   2.803   4.366
  135    HA   HIS  33           HA       HIS  33   4.882   0.039   3.526
  136    HB2  HIS  33           HB2      HIS  33   3.395  -0.504   5.648
  137    HB3  HIS  33           HB1      HIS  33   5.151  -0.598   5.709
  138    HD1  HIS  33           HD1      HIS  33   2.265   1.404   6.993
  139    HD2  HIS  33           HD2      HIS  33   6.403   1.311   7.274
  140    HE1  HIS  33           HE1      HIS  33   2.845   2.930   8.905
  141    HE2  HIS  33           HE2      HIS  33   5.345   2.730   9.161
  142    H    CYS  34           HN       CYS  34   3.014  -0.707   2.696
  143    HA   CYS  34           HA       CYS  34   1.197   1.241   1.724
  144    HB2  CYS  34           HB2      CYS  34   1.105  -1.775   1.634
  145    HB3  CYS  34           HB1      CYS  34   0.015  -0.720   0.746
  146    H    TYR  35           HN       TYR  35  -0.867   1.717   2.266
  147    HA   TYR  35           HA       TYR  35  -2.128   0.098   4.354
  148    HB2  TYR  35           HB2      TYR  35  -3.120   2.193   5.312
  149    HB3  TYR  35           HB1      TYR  35  -1.392   2.019   5.554
  150    HD1  TYR  35           HD1      TYR  35  -4.011   4.116   4.337
  151    HD2  TYR  35           HD2      TYR  35   0.166   3.364   4.018
  152    HE1  TYR  35           HE1      TYR  35  -3.670   6.388   3.465
  153    HE2  TYR  35           HE2      TYR  35   0.509   5.628   3.138
  154    HH   TYR  35           HH       TYR  35  -1.957   8.024   3.235
  155    H    HIS  36           HN       HIS  36  -4.476   0.259   4.378
  156    HA   HIS  36           HA       HIS  36  -5.356  -0.329   1.780
  157    HB2  HIS  36           HB2      HIS  36  -7.642  -0.553   2.868
  158    HB3  HIS  36           HB1      HIS  36  -6.361  -1.588   3.470
  159    HD1  HIS  36           HD1      HIS  36  -6.774  -1.921   5.871
  160    HD2  HIS  36           HD2      HIS  36  -7.463   2.020   4.739
  161    HE1  HIS  36           HE1      HIS  36  -7.390  -0.706   7.982
  162    HE2  HIS  36           HE2      HIS  36  -8.002   1.620   7.236
  163    H    ARG  37           HN       ARG  37  -5.816   1.001   0.224
  164    HA   ARG  37           HA       ARG  37  -6.903   3.638   0.800
  165    HB2  ARG  37           HB2      ARG  37  -5.061   3.401  -0.839
  166    HB3  ARG  37           HB1      ARG  37  -6.112   2.419  -1.849
  167    HG2  ARG  37           HG2      ARG  37  -7.542   4.259  -2.296
  168    HG3  ARG  37           HG1      ARG  37  -6.761   5.247  -1.061
  169    HD2  ARG  37           HD2      ARG  37  -6.023   5.918  -3.272
  170    HD3  ARG  37           HD1      ARG  37  -4.686   5.225  -2.360
  171    HE   ARG  37           HE       ARG  37  -5.997   3.287  -3.993
  172   HH11  ARG  37          HH11      ARG  37  -3.657   5.882  -4.043
  173   HH12  ARG  37          HH12      ARG  37  -2.837   5.291  -5.451
  174   HH21  ARG  37          HH21      ARG  37  -4.911   2.483  -5.836
  175   HH22  ARG  37          HH22      ARG  37  -3.543   3.349  -6.464
  176    H    ARG  38           HN       ARG  38  -7.698   0.869  -1.269
  177    HA   ARG  38           HA       ARG  38 -10.486   1.809  -1.349
  178    HB2  ARG  38           HB2      ARG  38  -8.967  -0.057  -3.176
  179    HB3  ARG  38           HB1      ARG  38 -10.690   0.267  -3.313
  180    HG2  ARG  38           HG2      ARG  38 -10.275   2.574  -3.815
  181    HG3  ARG  38           HG1      ARG  38  -8.551   2.375  -3.503
  182    HD2  ARG  38           HD2      ARG  38  -9.027   2.394  -5.898
  183    HD3  ARG  38           HD1      ARG  38  -8.372   0.844  -5.385
  184    HE   ARG  38           HE       ARG  38 -11.194   0.746  -5.346
  185   HH11  ARG  38          HH11      ARG  38  -8.499   0.861  -7.576
  186   HH12  ARG  38          HH12      ARG  38  -9.342   0.021  -8.838
  187   HH21  ARG  38          HH21      ARG  38 -12.316  -0.363  -7.023
  188   HH22  ARG  38          HH22      ARG  38 -11.510  -0.671  -8.529
  189    H    TYR  39           HN       TYR  39  -8.555  -1.165  -1.076
  190    HA   TYR  39           HA       TYR  39 -10.855  -2.652  -0.145
  191    HB2  TYR  39           HB2      TYR  39  -7.981  -3.407  -0.664
  192    HB3  TYR  39           HB1      TYR  39  -9.132  -4.526   0.060
  193    HD1  TYR  39           HD1      TYR  39 -10.342  -5.923  -1.331
  194    HD2  TYR  39           HD2      TYR  39  -8.772  -2.307  -2.925
  195    HE1  TYR  39           HE1      TYR  39 -11.127  -6.573  -3.568
  196    HE2  TYR  39           HE2      TYR  39  -9.551  -2.947  -5.165
  197    HH   TYR  39           HH       TYR  39 -11.717  -5.524  -5.688
  198    H    THR  40           HN       THR  40 -11.409  -1.774   1.792
  199    HA   THR  40           HA       THR  40  -9.377  -1.531   3.871
  200    HB   THR  40           HB       THR  40 -11.292  -0.417   5.129
  201    HG1  THR  40           HG1      THR  40 -12.950  -1.345   3.752
  202   HG21  THR  40          HG21      THR  40  -9.542   0.878   4.028
  203   HG22  THR  40          HG22      THR  40 -11.105   1.675   3.844
  204   HG23  THR  40          HG23      THR  40 -10.409   0.775   2.497
  Start of MODEL    6
    1    H1   CYS   9           HT1      CYS   9   3.409  -7.138  -6.045
    2    H2   CYS   9           HT2      CYS   9   2.023  -7.431  -6.968
    3    H3   CYS   9           HT3      CYS   9   2.525  -8.560  -5.816
    4    HA   CYS   9           HA       CYS   9   1.625  -5.815  -5.231
    5    HB2  CYS   9           HB2      CYS   9   0.209  -8.452  -5.120
    6    HB3  CYS   9           HB1      CYS   9  -0.318  -7.083  -4.156
    7    H    GLY  10           HN       GLY  10   0.556  -6.321  -2.775
    8    HA2  GLY  10           HA2      GLY  10   2.681  -7.443  -1.118
    9    HA3  GLY  10           HA1      GLY  10   2.426  -5.702  -1.023
   10    H    GLY  11           HN       GLY  11   0.784  -4.912   0.176
   11    HA2  GLY  11           HA2      GLY  11  -1.686  -5.740   0.690
   12    HA3  GLY  11           HA1      GLY  11  -0.773  -6.815   1.736
   13    H    ALA  12           HN       ALA  12  -2.441  -5.372   3.088
   14    HA   ALA  12           HA       ALA  12  -1.630  -2.724   3.705
   15    HB1  ALA  12           HB1      ALA  12  -3.356  -4.620   5.301
   16    HB2  ALA  12           HB2      ALA  12  -3.921  -3.494   4.067
   17    HB3  ALA  12           HB3      ALA  12  -3.215  -2.883   5.563
   18    H    GLY  13           HN       GLY  13   0.188  -2.205   4.700
   19    HA2  GLY  13           HA2      GLY  13   1.449  -2.136   6.744
   20    HA3  GLY  13           HA1      GLY  13   1.057  -3.828   6.999
   21    H    ALA  14           HN       ALA  14   1.656  -4.090   3.957
   22    HA   ALA  14           HA       ALA  14   4.250  -5.157   4.259
   23    HB1  ALA  14           HB1      ALA  14   2.666  -5.962   2.564
   24    HB2  ALA  14           HB2      ALA  14   4.202  -5.489   1.841
   25    HB3  ALA  14           HB3      ALA  14   2.803  -4.424   1.712
   26    H    LYS  15           HN       LYS  15   6.223  -4.289   3.998
   27    HA   LYS  15           HA       LYS  15   6.588  -1.503   3.877
   28    HB2  LYS  15           HB2      LYS  15   8.993  -2.018   3.611
   29    HB3  LYS  15           HB1      LYS  15   8.241  -2.875   4.948
   30    HG2  LYS  15           HG2      LYS  15   8.144  -4.902   3.631
   31    HG3  LYS  15           HG1      LYS  15   8.808  -4.051   2.236
   32    HD2  LYS  15           HD2      LYS  15  10.225  -4.278   4.875
   33    HD3  LYS  15           HD1      LYS  15  10.462  -5.414   3.547
   34    HE2  LYS  15           HE2      LYS  15  11.124  -3.493   2.109
   35    HE3  LYS  15           HE1      LYS  15  11.016  -2.450   3.525
   36    HZ1  LYS  15           HZ1      LYS  15  12.744  -3.744   4.583
   37    HZ2  LYS  15           HZ2      LYS  15  13.287  -3.169   3.089
   38    HZ3  LYS  15           HZ3      LYS  15  12.827  -4.787   3.253
   39    H    CYS  16           HN       CYS  16   6.991  -0.119   2.237
   40    HA   CYS  16           HA       CYS  16   7.188  -1.211  -0.479
   41    HB2  CYS  16           HB2      CYS  16   5.446   0.388  -1.230
   42    HB3  CYS  16           HB1      CYS  16   4.819  -0.809  -0.102
   43    H    SER  17           HN       SER  17   7.982   0.257  -2.040
   44    HA   SER  17           HA       SER  17   9.174   2.728  -0.979
   45    HB2  SER  17           HB2      SER  17  10.551   2.619  -3.130
   46    HB3  SER  17           HB1      SER  17  10.905   1.385  -1.924
   47    HG   SER  17           HG       SER  17   8.976   0.458  -3.518
   48    H    THR  18           HN       THR  18   7.020   1.284  -3.227
   49    HA   THR  18           HA       THR  18   5.790   3.865  -3.801
   50    HB   THR  18           HB       THR  18   5.479   2.978  -6.230
   51    HG1  THR  18           HG1      THR  18   7.149   1.129  -5.188
   52   HG21  THR  18          HG21      THR  18   6.733   5.008  -5.698
   53   HG22  THR  18          HG22      THR  18   7.533   4.095  -6.977
   54   HG23  THR  18          HG23      THR  18   8.161   4.040  -5.331
   55    H    LYS  19           HN       LYS  19   3.559   3.437  -4.842
   56    HA   LYS  19           HA       LYS  19   2.251   1.396  -3.365
   57    HB2  LYS  19           HB2      LYS  19   0.229   2.015  -4.623
   58    HB3  LYS  19           HB1      LYS  19   1.051   3.417  -3.955
   59    HG2  LYS  19           HG2      LYS  19   1.993   3.927  -6.137
   60    HG3  LYS  19           HG1      LYS  19   1.222   2.491  -6.815
   61    HD2  LYS  19           HD2      LYS  19  -0.971   3.398  -6.296
   62    HD3  LYS  19           HD1      LYS  19  -0.229   4.810  -5.547
   63    HE2  LYS  19           HE2      LYS  19   0.729   5.465  -7.678
   64    HE3  LYS  19           HE1      LYS  19   0.072   4.017  -8.439
   65    HZ1  LYS  19           HZ1      LYS  19  -1.285   5.991  -8.856
   66    HZ2  LYS  19           HZ2      LYS  19  -1.550   6.169  -7.198
   67    HZ3  LYS  19           HZ3      LYS  19  -2.146   4.808  -8.009
   68    H    SER  20           HN       SER  20   3.911   1.399  -6.314
   69    HA   SER  20           HA       SER  20   2.598  -0.749  -7.623
   70    HB2  SER  20           HB2      SER  20   5.485   0.092  -7.922
   71    HB3  SER  20           HB1      SER  20   4.481  -0.736  -9.113
   72    HG   SER  20           HG       SER  20   3.091   1.250  -8.873
   73    H    ASP  21           HN       ASP  21   4.568  -0.613  -4.871
   74    HA   ASP  21           HA       ASP  21   5.749  -3.211  -5.052
   75    HB2  ASP  21           HB2      ASP  21   5.286  -1.320  -2.743
   76    HB3  ASP  21           HB1      ASP  21   5.997  -2.912  -2.519
   77    H    CYS  22           HN       CYS  22   2.632  -2.035  -4.396
   78    HA   CYS  22           HA       CYS  22   1.787  -4.697  -3.497
   79    HB2  CYS  22           HB2      CYS  22   0.825  -2.042  -2.421
   80    HB3  CYS  22           HB1      CYS  22   0.087  -3.595  -2.046
   81    H    CYS  23           HN       CYS  23  -0.905  -4.548  -3.610
   82    HA   CYS  23           HA       CYS  23  -1.402  -4.291  -6.418
   83    HB2  CYS  23           HB2      CYS  23  -3.072  -5.081  -4.065
   84    HB3  CYS  23           HB1      CYS  23  -3.862  -4.681  -5.582
   85    H    SER  24           HN       SER  24  -3.704  -3.191  -6.941
   86    HA   SER  24           HA       SER  24  -3.172  -0.410  -6.763
   87    HB2  SER  24           HB2      SER  24  -4.326  -1.425  -8.694
   88    HB3  SER  24           HB1      SER  24  -5.708  -1.794  -7.668
   89    HG   SER  24           HG       SER  24  -4.994   0.825  -7.492
   90    H    GLY  25           HN       GLY  25  -5.116  -2.578  -4.857
   91    HA2  GLY  25           HA2      GLY  25  -6.723  -0.577  -3.602
   92    HA3  GLY  25           HA1      GLY  25  -6.490  -2.225  -3.042
   93    H    LEU  26           HN       LEU  26  -3.465  -1.376  -3.308
   94    HA   LEU  26           HA       LEU  26  -3.347  -0.224  -0.601
   95    HB2  LEU  26           HB2      LEU  26  -1.493  -2.185  -1.943
   96    HB3  LEU  26           HB1      LEU  26  -1.106  -1.352  -0.467
   97    HG   LEU  26           HG       LEU  26  -1.774  -3.500   0.189
   98   HD11  LEU  26          HD11      LEU  26  -3.743  -3.158   1.523
   99   HD12  LEU  26          HD12      LEU  26  -4.215  -1.784   0.526
  100   HD13  LEU  26          HD13      LEU  26  -2.760  -1.691   1.521
  101   HD21  LEU  26          HD21      LEU  26  -2.821  -4.145  -1.946
  102   HD22  LEU  26          HD22      LEU  26  -4.261  -3.237  -1.484
  103   HD23  LEU  26          HD23      LEU  26  -3.755  -4.636  -0.534
  104    H    TRP  27           HN       TRP  27  -2.482   1.729  -0.504
  105    HA   TRP  27           HA       TRP  27  -0.669   2.581  -2.656
  106    HB2  TRP  27           HB2      TRP  27  -2.414   4.151  -0.756
  107    HB3  TRP  27           HB1      TRP  27  -1.143   4.907  -1.707
  108    HD1  TRP  27           HD1      TRP  27  -3.068   2.172  -3.464
  109    HE1  TRP  27           HE1      TRP  27  -4.620   3.215  -5.229
  110    HE3  TRP  27           HE3      TRP  27  -2.584   7.086  -2.149
  111    HZ2  TRP  27           HZ2      TRP  27  -5.530   5.790  -5.957
  112    HZ3  TRP  27           HZ3      TRP  27  -3.831   8.777  -3.428
  113    HH2  TRP  27           HH2      TRP  27  -5.273   8.141  -5.294
  114    H    CYS  28           HN       CYS  28   1.209   3.873  -1.988
  115    HA   CYS  28           HA       CYS  28   2.345   2.659   0.417
  116    HB2  CYS  28           HB2      CYS  28   3.514   2.481  -1.794
  117    HB3  CYS  28           HB1      CYS  28   3.764   4.219  -1.747
  118    H    SER  29           HN       SER  29   3.060   3.805   2.138
  119    HA   SER  29           HA       SER  29   2.136   6.567   2.276
  120    HB2  SER  29           HB2      SER  29   2.490   6.225   4.755
  121    HB3  SER  29           HB1      SER  29   1.285   5.169   4.017
  122    HG   SER  29           HG       SER  29   2.470   3.501   4.486
  123    H    GLY  30           HN       GLY  30   3.566   7.826   4.063
  124    HA2  GLY  30           HA2      GLY  30   5.994   8.434   2.735
  125    HA3  GLY  30           HA1      GLY  30   5.483   9.069   4.292
  126    H    SER  31           HN       SER  31   5.288   6.671   5.725
  127    HA   SER  31           HA       SER  31   8.042   6.293   6.384
  128    HB2  SER  31           HB2      SER  31   5.628   4.787   7.406
  129    HB3  SER  31           HB1      SER  31   7.221   4.850   8.159
  130    HG   SER  31           HG       SER  31   5.230   6.819   8.008
  131    H    GLY  32           HN       GLY  32   5.853   4.721   4.277
  132    HA2  GLY  32           HA2      GLY  32   6.698   3.340   2.544
  133    HA3  GLY  32           HA1      GLY  32   8.002   2.849   3.610
  134    H    HIS  33           HN       HIS  33   4.528   2.842   4.321
  135    HA   HIS  33           HA       HIS  33   4.571  -0.098   4.108
  136    HB2  HIS  33           HB2      HIS  33   3.218   1.530   6.272
  137    HB3  HIS  33           HB1      HIS  33   2.954  -0.191   6.016
  138    HD1  HIS  33           HD1      HIS  33   4.937   2.080   7.951
  139    HD2  HIS  33           HD2      HIS  33   5.523  -1.693   6.312
  140    HE1  HIS  33           HE1      HIS  33   6.873   1.088   9.214
  141    HE2  HIS  33           HE2      HIS  33   7.073  -1.266   8.338
  142    H    CYS  34           HN       CYS  34   3.064  -0.860   2.790
  143    HA   CYS  34           HA       CYS  34   1.267   0.774   1.385
  144    HB2  CYS  34           HB2      CYS  34   1.339  -2.213   1.817
  145    HB3  CYS  34           HB1      CYS  34   0.204  -1.425   0.739
  146    H    TYR  35           HN       TYR  35  -0.686   1.546   1.888
  147    HA   TYR  35           HA       TYR  35  -2.113   0.291   4.139
  148    HB2  TYR  35           HB2      TYR  35  -3.032   2.474   4.731
  149    HB3  TYR  35           HB1      TYR  35  -1.275   2.522   4.762
  150    HD1  TYR  35           HD1      TYR  35  -4.286   3.850   3.242
  151    HD2  TYR  35           HD2      TYR  35  -0.042   3.712   2.961
  152    HE1  TYR  35           HE1      TYR  35  -4.323   5.817   1.770
  153    HE2  TYR  35           HE2      TYR  35  -0.072   5.679   1.486
  154    HH   TYR  35           HH       TYR  35  -2.748   7.662   1.124
  155    H    HIS  36           HN       HIS  36  -4.412   0.275   3.999
  156    HA   HIS  36           HA       HIS  36  -5.188  -0.336   1.307
  157    HB2  HIS  36           HB2      HIS  36  -7.296  -1.153   2.299
  158    HB3  HIS  36           HB1      HIS  36  -5.867  -1.873   3.015
  159    HD1  HIS  36           HD1      HIS  36  -7.999  -2.378   4.761
  160    HD2  HIS  36           HD2      HIS  36  -6.265   1.404   4.790
  161    HE1  HIS  36           HE1      HIS  36  -8.660  -1.341   6.958
  162    HE2  HIS  36           HE2      HIS  36  -7.672   0.973   6.917
  163    H    ARG  37           HN       ARG  37  -4.936   1.881   0.572
  164    HA   ARG  37           HA       ARG  37  -6.494   4.041   1.333
  165    HB2  ARG  37           HB2      ARG  37  -4.635   4.331  -0.158
  166    HB3  ARG  37           HB1      ARG  37  -5.376   3.292  -1.366
  167    HG2  ARG  37           HG2      ARG  37  -5.596   5.554  -2.079
  168    HG3  ARG  37           HG1      ARG  37  -7.192   4.964  -1.615
  169    HD2  ARG  37           HD2      ARG  37  -6.914   6.064   0.581
  170    HD3  ARG  37           HD1      ARG  37  -5.374   6.719   0.030
  171    HE   ARG  37           HE       ARG  37  -7.983   7.373  -1.187
  172   HH11  ARG  37          HH11      ARG  37  -4.735   8.286  -0.235
  173   HH12  ARG  37          HH12      ARG  37  -4.885   9.906  -0.828
  174   HH21  ARG  37          HH21      ARG  37  -8.185   9.509  -1.934
  175   HH22  ARG  37          HH22      ARG  37  -6.857  10.613  -1.765
  176    H    ARG  38           HN       ARG  38  -7.234   1.489  -1.017
  177    HA   ARG  38           HA       ARG  38  -9.791   2.739  -1.612
  178    HB2  ARG  38           HB2      ARG  38  -8.494   0.243  -2.707
  179    HB3  ARG  38           HB1      ARG  38 -10.050   0.869  -3.236
  180    HG2  ARG  38           HG2      ARG  38  -8.976   2.924  -3.991
  181    HG3  ARG  38           HG1      ARG  38  -7.413   2.309  -3.450
  182    HD2  ARG  38           HD2      ARG  38  -7.709   2.020  -5.859
  183    HD3  ARG  38           HD1      ARG  38  -7.570   0.471  -5.035
  184    HE   ARG  38           HE       ARG  38 -10.276   1.010  -5.213
  185   HH11  ARG  38          HH11      ARG  38  -7.615   0.557  -7.436
  186   HH12  ARG  38          HH12      ARG  38  -8.605  -0.121  -8.685
  187   HH21  ARG  38          HH21      ARG  38 -11.588   0.116  -6.852
  188   HH22  ARG  38          HH22      ARG  38 -10.872  -0.359  -8.360
  189    H    TYR  39           HN       TYR  39  -8.969   1.312   0.978
  190    HA   TYR  39           HA       TYR  39  -9.966   0.140   2.633
  191    HB2  TYR  39           HB2      TYR  39 -11.901   1.623   1.933
  192    HB3  TYR  39           HB1      TYR  39 -12.501   0.260   0.997
  193    HD1  TYR  39           HD1      TYR  39 -11.947   1.586   4.363
  194    HD2  TYR  39           HD2      TYR  39 -13.467  -1.679   2.103
  195    HE1  TYR  39           HE1      TYR  39 -13.100   0.745   6.364
  196    HE2  TYR  39           HE2      TYR  39 -14.626  -2.529   4.098
  197    HH   TYR  39           HH       TYR  39 -14.943  -0.666   6.967
  198    H    THR  40           HN       THR  40  -8.864  -1.765   2.423
  199    HA   THR  40           HA       THR  40 -10.330  -4.053   1.589
  200    HB   THR  40           HB       THR  40  -9.552  -3.299  -0.627
  201    HG1  THR  40           HG1      THR  40  -8.584  -5.680   0.511
  202   HG21  THR  40          HG21      THR  40  -7.155  -3.305  -1.172
  203   HG22  THR  40          HG22      THR  40  -6.777  -3.599   0.525
  204   HG23  THR  40          HG23      THR  40  -7.546  -2.087   0.042
  Start of MODEL    7
    1    H1   CYS   9           HT1      CYS   9   3.054  -8.713  -5.378
    2    H2   CYS   9           HT2      CYS   9   1.735  -8.482  -6.410
    3    H3   CYS   9           HT3      CYS   9   1.542  -9.348  -4.974
    4    HA   CYS   9           HA       CYS   9   2.264  -6.495  -5.143
    5    HB2  CYS   9           HB2      CYS   9  -0.357  -7.837  -4.560
    6    HB3  CYS   9           HB1      CYS   9  -0.029  -6.164  -4.154
    7    H    GLY  10           HN       GLY  10   2.771  -5.534  -3.250
    8    HA2  GLY  10           HA2      GLY  10   3.525  -6.858  -0.953
    9    HA3  GLY  10           HA1      GLY  10   3.052  -5.163  -1.024
   10    H    GLY  11           HN       GLY  11   1.181  -4.532  -0.129
   11    HA2  GLY  11           HA2      GLY  11  -1.233  -5.463   0.161
   12    HA3  GLY  11           HA1      GLY  11  -0.410  -6.597   1.220
   13    H    ALA  12           HN       ALA  12  -2.183  -5.393   2.586
   14    HA   ALA  12           HA       ALA  12  -1.645  -2.735   3.407
   15    HB1  ALA  12           HB1      ALA  12  -3.862  -3.789   3.584
   16    HB2  ALA  12           HB2      ALA  12  -3.315  -3.094   5.111
   17    HB3  ALA  12           HB3      ALA  12  -3.240  -4.840   4.858
   18    H    GLY  13           HN       GLY  13  -0.120  -2.010   4.685
   19    HA2  GLY  13           HA2      GLY  13   1.145  -1.859   6.634
   20    HA3  GLY  13           HA1      GLY  13   0.671  -3.496   7.049
   21    H    ALA  14           HN       ALA  14   1.664  -3.536   3.901
   22    HA   ALA  14           HA       ALA  14   4.160  -4.815   4.620
   23    HB1  ALA  14           HB1      ALA  14   2.922  -4.341   1.908
   24    HB2  ALA  14           HB2      ALA  14   2.707  -5.783   2.901
   25    HB3  ALA  14           HB3      ALA  14   4.298  -5.388   2.256
   26    H    LYS  15           HN       LYS  15   6.221  -4.170   3.870
   27    HA   LYS  15           HA       LYS  15   6.597  -1.323   3.854
   28    HB2  LYS  15           HB2      LYS  15   8.542  -3.612   3.505
   29    HB3  LYS  15           HB1      LYS  15   9.017  -1.925   3.592
   30    HG2  LYS  15           HG2      LYS  15   8.202  -1.764   5.853
   31    HG3  LYS  15           HG1      LYS  15   7.570  -3.411   5.774
   32    HD2  LYS  15           HD2      LYS  15   9.841  -4.263   5.453
   33    HD3  LYS  15           HD1      LYS  15  10.472  -2.619   5.527
   34    HE2  LYS  15           HE2      LYS  15   8.960  -3.976   7.752
   35    HE3  LYS  15           HE1      LYS  15  10.716  -3.891   7.646
   36    HZ1  LYS  15           HZ1      LYS  15   8.886  -1.563   7.820
   37    HZ2  LYS  15           HZ2      LYS  15  10.569  -1.485   7.724
   38    HZ3  LYS  15           HZ3      LYS  15   9.831  -2.168   9.081
   39    H    CYS  16           HN       CYS  16   7.119  -0.017   2.166
   40    HA   CYS  16           HA       CYS  16   7.446  -1.206  -0.488
   41    HB2  CYS  16           HB2      CYS  16   5.688   0.337  -1.383
   42    HB3  CYS  16           HB1      CYS  16   5.057  -0.902  -0.302
   43    H    SER  17           HN       SER  17   8.582   0.060  -1.921
   44    HA   SER  17           HA       SER  17   9.520   2.664  -0.949
   45    HB2  SER  17           HB2      SER  17  11.091   2.422  -2.988
   46    HB3  SER  17           HB1      SER  17  11.384   1.376  -1.599
   47    HG   SER  17           HG       SER  17  10.653  -0.328  -2.687
   48    H    THR  18           HN       THR  18   7.871   1.050  -3.586
   49    HA   THR  18           HA       THR  18   6.634   3.624  -4.289
   50    HB   THR  18           HB       THR  18   6.333   2.643  -6.625
   51    HG1  THR  18           HG1      THR  18   8.530   1.002  -5.849
   52   HG21  THR  18          HG21      THR  18   8.576   3.325  -7.382
   53   HG22  THR  18          HG22      THR  18   9.130   3.312  -5.707
   54   HG23  THR  18          HG23      THR  18   7.893   4.459  -6.218
   55    H    LYS  19           HN       LYS  19   4.418   3.380  -5.099
   56    HA   LYS  19           HA       LYS  19   2.976   1.460  -3.558
   57    HB2  LYS  19           HB2      LYS  19   0.979   2.453  -4.430
   58    HB3  LYS  19           HB1      LYS  19   2.118   3.742  -4.081
   59    HG2  LYS  19           HG2      LYS  19   2.680   3.885  -6.456
   60    HG3  LYS  19           HG1      LYS  19   1.525   2.595  -6.800
   61    HD2  LYS  19           HD2      LYS  19  -0.259   4.021  -5.818
   62    HD3  LYS  19           HD1      LYS  19   0.922   5.320  -5.659
   63    HE2  LYS  19           HE2      LYS  19  -0.409   5.617  -7.667
   64    HE3  LYS  19           HE1      LYS  19   1.272   5.287  -8.082
   65    HZ1  LYS  19           HZ1      LYS  19  -0.313   4.057  -9.463
   66    HZ2  LYS  19           HZ2      LYS  19  -0.900   3.263  -8.092
   67    HZ3  LYS  19           HZ3      LYS  19   0.698   3.023  -8.590
   68    H    SER  20           HN       SER  20   4.398   1.395  -6.618
   69    HA   SER  20           HA       SER  20   2.703  -0.404  -7.970
   70    HB2  SER  20           HB2      SER  20   5.691  -0.044  -8.286
   71    HB3  SER  20           HB1      SER  20   4.584  -0.728  -9.475
   72    HG   SER  20           HG       SER  20   4.687   1.313 -10.116
   73    H    ASP  21           HN       ASP  21   4.845  -0.821  -5.344
   74    HA   ASP  21           HA       ASP  21   5.562  -3.531  -5.660
   75    HB2  ASP  21           HB2      ASP  21   6.581  -1.975  -3.998
   76    HB3  ASP  21           HB1      ASP  21   5.085  -2.016  -3.073
   77    H    CYS  22           HN       CYS  22   2.831  -1.940  -4.124
   78    HA   CYS  22           HA       CYS  22   1.587  -4.537  -3.599
   79    HB2  CYS  22           HB2      CYS  22   0.833  -1.796  -2.584
   80    HB3  CYS  22           HB1      CYS  22   0.148  -3.324  -2.047
   81    H    CYS  23           HN       CYS  23  -0.860  -4.566  -3.910
   82    HA   CYS  23           HA       CYS  23  -1.443  -3.813  -6.613
   83    HB2  CYS  23           HB2      CYS  23  -2.955  -5.232  -4.442
   84    HB3  CYS  23           HB1      CYS  23  -3.802  -4.676  -5.878
   85    H    SER  24           HN       SER  24  -3.653  -2.699  -7.036
   86    HA   SER  24           HA       SER  24  -3.060  -0.037  -6.295
   87    HB2  SER  24           HB2      SER  24  -5.437  -1.105  -7.815
   88    HB3  SER  24           HB1      SER  24  -4.891   0.572  -7.783
   89    HG   SER  24           HG       SER  24  -2.782  -0.796  -8.437
   90    H    GLY  25           HN       GLY  25  -4.930  -2.308  -4.667
   91    HA2  GLY  25           HA2      GLY  25  -6.756  -0.406  -3.476
   92    HA3  GLY  25           HA1      GLY  25  -6.519  -2.078  -2.986
   93    H    LEU  26           HN       LEU  26  -3.541  -1.510  -2.939
   94    HA   LEU  26           HA       LEU  26  -3.497  -0.196  -0.300
   95    HB2  LEU  26           HB2      LEU  26  -1.487  -2.217  -1.295
   96    HB3  LEU  26           HB1      LEU  26  -1.626  -1.562   0.316
   97    HG   LEU  26           HG       LEU  26  -2.411  -3.736   0.513
   98   HD11  LEU  26          HD11      LEU  26  -4.862  -2.046   0.117
   99   HD12  LEU  26          HD12      LEU  26  -3.897  -2.169   1.588
  100   HD13  LEU  26          HD13      LEU  26  -4.787  -3.573   0.998
  101   HD21  LEU  26          HD21      LEU  26  -2.560  -4.318  -1.818
  102   HD22  LEU  26          HD22      LEU  26  -4.011  -3.330  -2.004
  103   HD23  LEU  26          HD23      LEU  26  -4.048  -4.771  -0.989
  104    H    TRP  27           HN       TRP  27  -2.565   1.742  -0.389
  105    HA   TRP  27           HA       TRP  27  -0.659   2.295  -2.555
  106    HB2  TRP  27           HB2      TRP  27  -2.478   4.051  -0.930
  107    HB3  TRP  27           HB1      TRP  27  -1.107   4.732  -1.801
  108    HD1  TRP  27           HD1      TRP  27  -3.893   2.211  -2.826
  109    HE1  TRP  27           HE1      TRP  27  -4.838   2.971  -5.096
  110    HE3  TRP  27           HE3      TRP  27  -1.039   6.390  -3.520
  111    HZ2  TRP  27           HZ2      TRP  27  -4.418   5.076  -6.938
  112    HZ3  TRP  27           HZ3      TRP  27  -1.369   7.723  -5.558
  113    HH2  TRP  27           HH2      TRP  27  -3.024   7.078  -7.233
  114    H    CYS  28           HN       CYS  28   1.255   3.518  -2.098
  115    HA   CYS  28           HA       CYS  28   2.447   2.613   0.383
  116    HB2  CYS  28           HB2      CYS  28   3.550   2.451  -1.911
  117    HB3  CYS  28           HB1      CYS  28   3.790   4.190  -1.813
  118    H    SER  29           HN       SER  29   2.997   3.872   2.074
  119    HA   SER  29           HA       SER  29   1.949   6.551   2.173
  120    HB2  SER  29           HB2      SER  29   2.702   6.447   4.551
  121    HB3  SER  29           HB1      SER  29   1.661   5.097   4.091
  122    HG   SER  29           HG       SER  29   4.231   5.085   4.958
  123    H    GLY  30           HN       GLY  30   3.937   6.529   0.282
  124    HA2  GLY  30           HA2      GLY  30   5.782   7.749  -0.353
  125    HA3  GLY  30           HA1      GLY  30   5.702   8.550   1.210
  126    H    SER  31           HN       SER  31   6.568   5.408  -0.191
  127    HA   SER  31           HA       SER  31   8.228   3.933   0.235
  128    HB2  SER  31           HB2      SER  31   9.616   5.866  -0.448
  129    HB3  SER  31           HB1      SER  31   9.728   6.362   1.238
  130    HG   SER  31           HG       SER  31  10.552   4.043   1.483
  131    H    GLY  32           HN       GLY  32   6.403   3.602   2.013
  132    HA2  GLY  32           HA2      GLY  32   7.868   3.148   4.504
  133    HA3  GLY  32           HA1      GLY  32   6.364   4.053   4.591
  134    H    HIS  33           HN       HIS  33   4.404   3.019   4.156
  135    HA   HIS  33           HA       HIS  33   4.508   0.089   3.916
  136    HB2  HIS  33           HB2      HIS  33   2.851   1.625   5.942
  137    HB3  HIS  33           HB1      HIS  33   2.752  -0.109   5.652
  138    HD1  HIS  33           HD1      HIS  33   4.594   2.428   7.560
  139    HD2  HIS  33           HD2      HIS  33   5.122  -1.547   6.460
  140    HE1  HIS  33           HE1      HIS  33   6.398   1.540   9.071
  141    HE2  HIS  33           HE2      HIS  33   6.594  -0.901   8.486
  142    H    CYS  34           HN       CYS  34   2.738  -0.810   2.854
  143    HA   CYS  34           HA       CYS  34   1.125   1.009   1.298
  144    HB2  CYS  34           HB2      CYS  34   1.174  -2.007   1.455
  145    HB3  CYS  34           HB1      CYS  34   0.143  -1.096   0.367
  146    H    TYR  35           HN       TYR  35  -0.670   1.886   2.076
  147    HA   TYR  35           HA       TYR  35  -2.101   0.503   4.230
  148    HB2  TYR  35           HB2      TYR  35  -3.227   2.663   4.618
  149    HB3  TYR  35           HB1      TYR  35  -1.479   2.820   4.704
  150    HD1  TYR  35           HD1      TYR  35  -0.260   4.089   3.017
  151    HD2  TYR  35           HD2      TYR  35  -4.490   3.692   2.811
  152    HE1  TYR  35           HE1      TYR  35  -0.350   5.918   1.378
  153    HE2  TYR  35           HE2      TYR  35  -4.587   5.517   1.172
  154    HH   TYR  35           HH       TYR  35  -3.240   7.463   0.506
  155    H    HIS  36           HN       HIS  36  -4.316   0.125   4.132
  156    HA   HIS  36           HA       HIS  36  -5.273  -0.548   1.527
  157    HB2  HIS  36           HB2      HIS  36  -7.282  -1.396   2.687
  158    HB3  HIS  36           HB1      HIS  36  -5.796  -2.013   3.383
  159    HD1  HIS  36           HD1      HIS  36  -8.334  -2.175   5.005
  160    HD2  HIS  36           HD2      HIS  36  -5.731   1.068   5.194
  161    HE1  HIS  36           HE1      HIS  36  -8.761  -1.083   7.231
  162    HE2  HIS  36           HE2      HIS  36  -7.009   0.717   7.412
  163    H    ARG  37           HN       ARG  37  -5.251   1.514   0.540
  164    HA   ARG  37           HA       ARG  37  -6.660   3.759   1.434
  165    HB2  ARG  37           HB2      ARG  37  -4.922   3.741  -0.363
  166    HB3  ARG  37           HB1      ARG  37  -6.105   3.011  -1.439
  167    HG2  ARG  37           HG2      ARG  37  -7.555   4.996  -1.102
  168    HG3  ARG  37           HG1      ARG  37  -6.258   5.732  -0.163
  169    HD2  ARG  37           HD2      ARG  37  -4.778   5.473  -2.155
  170    HD3  ARG  37           HD1      ARG  37  -6.188   4.935  -3.065
  171    HE   ARG  37           HE       ARG  37  -6.295   7.541  -1.744
  172   HH11  ARG  37          HH11      ARG  37  -6.130   5.672  -4.705
  173   HH12  ARG  37          HH12      ARG  37  -6.444   7.037  -5.724
  174   HH21  ARG  37          HH21      ARG  37  -6.708   9.330  -3.090
  175   HH22  ARG  37          HH22      ARG  37  -6.775   9.116  -4.810
  176    H    ARG  38           HN       ARG  38  -7.660   1.085  -0.647
  177    HA   ARG  38           HA       ARG  38 -10.272   2.264  -1.074
  178    HB2  ARG  38           HB2      ARG  38  -9.148  -0.417  -1.894
  179    HB3  ARG  38           HB1      ARG  38 -10.740   0.178  -2.345
  180    HG2  ARG  38           HG2      ARG  38  -9.571   2.143  -3.414
  181    HG3  ARG  38           HG1      ARG  38  -8.061   1.262  -3.169
  182    HD2  ARG  38           HD2      ARG  38  -8.925   0.893  -5.418
  183    HD3  ARG  38           HD1      ARG  38  -8.940  -0.605  -4.486
  184    HE   ARG  38           HE       ARG  38 -11.432   0.597  -4.179
  185   HH11  ARG  38          HH11      ARG  38  -9.544  -0.791  -6.777
  186   HH12  ARG  38          HH12      ARG  38 -10.933  -1.321  -7.670
  187   HH21  ARG  38          HH21      ARG  38 -13.249  -0.091  -5.343
  188   HH22  ARG  38          HH22      ARG  38 -13.047  -0.925  -6.850
  189    H    TYR  39           HN       TYR  39  -9.284   1.430   1.632
  190    HA   TYR  39           HA       TYR  39 -10.091   0.539   3.545
  191    HB2  TYR  39           HB2      TYR  39 -12.674   0.832   2.013
  192    HB3  TYR  39           HB1      TYR  39 -12.596   0.416   3.723
  193    HD1  TYR  39           HD1      TYR  39 -11.652   2.052   5.340
  194    HD2  TYR  39           HD2      TYR  39 -12.387   3.086   1.280
  195    HE1  TYR  39           HE1      TYR  39 -11.533   4.435   5.932
  196    HE2  TYR  39           HE2      TYR  39 -12.272   5.470   1.863
  197    HH   TYR  39           HH       TYR  39 -11.061   6.577   4.827
  198    H    THR  40           HN       THR  40  -9.040  -1.319   1.758
  199    HA   THR  40           HA       THR  40 -10.762  -3.655   2.121
  200    HB   THR  40           HB       THR  40 -10.039  -3.417  -0.157
  201    HG1  THR  40           HG1      THR  40  -8.583  -5.439   1.215
  202   HG21  THR  40          HG21      THR  40  -8.119  -1.983   0.090
  203   HG22  THR  40          HG22      THR  40  -7.636  -3.436  -0.784
  204   HG23  THR  40          HG23      THR  40  -7.225  -3.257   0.922
  Start of MODEL    8
    1    H1   CYS   9           HT1      CYS   9   2.059  -9.173  -4.968
    2    H2   CYS   9           HT2      CYS   9   3.376  -8.260  -5.503
    3    H3   CYS   9           HT3      CYS   9   1.969  -8.341  -6.437
    4    HA   CYS   9           HA       CYS   9   2.152  -6.243  -5.275
    5    HB2  CYS   9           HB2      CYS   9  -0.060  -8.137  -4.607
    6    HB3  CYS   9           HB1      CYS   9  -0.085  -6.496  -3.988
    7    H    GLY  10           HN       GLY  10   1.000  -5.657  -2.845
    8    HA2  GLY  10           HA2      GLY  10   3.052  -6.675  -0.993
    9    HA3  GLY  10           HA1      GLY  10   2.508  -4.998  -1.018
   10    H    GLY  11           HN       GLY  11   0.507  -4.463  -0.182
   11    HA2  GLY  11           HA2      GLY  11  -1.690  -5.495   0.579
   12    HA3  GLY  11           HA1      GLY  11  -0.662  -6.520   1.572
   13    H    ALA  12           HN       ALA  12  -2.393  -5.264   3.021
   14    HA   ALA  12           HA       ALA  12  -1.695  -2.592   3.730
   15    HB1  ALA  12           HB1      ALA  12  -3.270  -2.861   5.554
   16    HB2  ALA  12           HB2      ALA  12  -3.320  -4.603   5.280
   17    HB3  ALA  12           HB3      ALA  12  -3.954  -3.500   4.059
   18    H    GLY  13           HN       GLY  13   0.099  -2.046   4.752
   19    HA2  GLY  13           HA2      GLY  13   1.499  -2.009   6.651
   20    HA3  GLY  13           HA1      GLY  13   0.969  -3.638   7.049
   21    H    ALA  14           HN       ALA  14   1.586  -3.657   3.830
   22    HA   ALA  14           HA       ALA  14   4.011  -5.148   4.162
   23    HB1  ALA  14           HB1      ALA  14   3.938  -5.413   1.741
   24    HB2  ALA  14           HB2      ALA  14   2.659  -4.204   1.636
   25    HB3  ALA  14           HB3      ALA  14   2.358  -5.737   2.454
   26    H    LYS  15           HN       LYS  15   6.059  -4.631   3.379
   27    HA   LYS  15           HA       LYS  15   6.772  -1.876   3.721
   28    HB2  LYS  15           HB2      LYS  15   8.454  -4.231   2.824
   29    HB3  LYS  15           HB1      LYS  15   9.069  -2.672   3.347
   30    HG2  LYS  15           HG2      LYS  15   8.330  -3.038   5.580
   31    HG3  LYS  15           HG1      LYS  15   7.435  -4.484   5.105
   32    HD2  LYS  15           HD2      LYS  15   9.531  -5.590   4.508
   33    HD3  LYS  15           HD1      LYS  15  10.431  -4.143   4.962
   34    HE2  LYS  15           HE2      LYS  15  10.496  -5.842   6.722
   35    HE3  LYS  15           HE1      LYS  15   9.686  -4.374   7.261
   36    HZ1  LYS  15           HZ1      LYS  15   7.559  -5.445   6.920
   37    HZ2  LYS  15           HZ2      LYS  15   8.514  -6.383   7.950
   38    HZ3  LYS  15           HZ3      LYS  15   8.313  -6.841   6.337
   39    H    CYS  16           HN       CYS  16   7.129  -0.369   2.207
   40    HA   CYS  16           HA       CYS  16   7.431  -1.154  -0.591
   41    HB2  CYS  16           HB2      CYS  16   5.620   0.394  -1.277
   42    HB3  CYS  16           HB1      CYS  16   5.027  -0.947  -0.302
   43    H    SER  17           HN       SER  17   8.705   0.218  -1.730
   44    HA   SER  17           HA       SER  17   9.279   2.856  -0.552
   45    HB2  SER  17           HB2      SER  17  11.238   1.316  -1.015
   46    HB3  SER  17           HB1      SER  17  10.845   1.443  -2.729
   47    HG   SER  17           HG       SER  17  11.023   3.874  -1.479
   48    H    THR  18           HN       THR  18   7.651   1.177  -2.940
   49    HA   THR  18           HA       THR  18   6.798   3.670  -4.207
   50    HB   THR  18           HB       THR  18   6.631   2.367  -6.390
   51    HG1  THR  18           HG1      THR  18   8.484   0.677  -5.019
   52   HG21  THR  18          HG21      THR  18   8.306   4.105  -6.119
   53   HG22  THR  18          HG22      THR  18   9.001   2.743  -6.999
   54   HG23  THR  18          HG23      THR  18   9.379   2.976  -5.292
   55    H    LYS  19           HN       LYS  19   4.614   3.552  -5.007
   56    HA   LYS  19           HA       LYS  19   2.978   1.752  -3.492
   57    HB2  LYS  19           HB2      LYS  19   1.083   2.829  -4.564
   58    HB3  LYS  19           HB1      LYS  19   2.212   4.026  -3.952
   59    HG2  LYS  19           HG2      LYS  19   3.036   4.455  -6.164
   60    HG3  LYS  19           HG1      LYS  19   2.065   3.137  -6.824
   61    HD2  LYS  19           HD2      LYS  19   0.023   4.316  -6.165
   62    HD3  LYS  19           HD1      LYS  19   0.995   5.632  -5.505
   63    HE2  LYS  19           HE2      LYS  19   1.887   6.109  -7.714
   64    HE3  LYS  19           HE1      LYS  19   0.992   4.748  -8.389
   65    HZ1  LYS  19           HZ1      LYS  19  -0.142   6.829  -8.805
   66    HZ2  LYS  19           HZ2      LYS  19  -0.202   7.168  -7.149
   67    HZ3  LYS  19           HZ3      LYS  19  -1.067   5.856  -7.777
   68    H    SER  20           HN       SER  20   4.427   1.663  -6.569
   69    HA   SER  20           HA       SER  20   2.628  -0.054  -7.908
   70    HB2  SER  20           HB2      SER  20   5.613   0.177  -8.332
   71    HB3  SER  20           HB1      SER  20   4.407  -0.352  -9.506
   72    HG   SER  20           HG       SER  20   3.549   1.734  -9.511
   73    H    ASP  21           HN       ASP  21   4.809  -0.576  -5.341
   74    HA   ASP  21           HA       ASP  21   5.455  -3.296  -5.798
   75    HB2  ASP  21           HB2      ASP  21   6.620  -1.772  -4.162
   76    HB3  ASP  21           HB1      ASP  21   5.214  -1.916  -3.108
   77    H    CYS  22           HN       CYS  22   2.836  -1.671  -4.083
   78    HA   CYS  22           HA       CYS  22   1.620  -4.236  -3.426
   79    HB2  CYS  22           HB2      CYS  22   0.923  -1.414  -2.613
   80    HB3  CYS  22           HB1      CYS  22  -0.001  -2.832  -2.128
   81    H    CYS  23           HN       CYS  23  -0.871  -4.285  -3.665
   82    HA   CYS  23           HA       CYS  23  -1.426  -4.010  -6.454
   83    HB2  CYS  23           HB2      CYS  23  -2.833  -5.129  -4.092
   84    HB3  CYS  23           HB1      CYS  23  -3.823  -4.676  -5.466
   85    H    SER  24           HN       SER  24  -3.947  -3.242  -6.799
   86    HA   SER  24           HA       SER  24  -3.753  -0.415  -6.691
   87    HB2  SER  24           HB2      SER  24  -6.189  -2.078  -7.348
   88    HB3  SER  24           HB1      SER  24  -5.868  -0.417  -7.849
   89    HG   SER  24           HG       SER  24  -4.788  -1.175  -9.469
   90    H    GLY  25           HN       GLY  25  -5.217  -2.770  -4.610
   91    HA2  GLY  25           HA2      GLY  25  -7.057  -0.947  -3.364
   92    HA3  GLY  25           HA1      GLY  25  -6.690  -2.582  -2.838
   93    H    LEU  26           HN       LEU  26  -3.748  -1.780  -2.900
   94    HA   LEU  26           HA       LEU  26  -3.745  -0.308  -0.350
   95    HB2  LEU  26           HB2      LEU  26  -1.914  -2.591  -1.110
   96    HB3  LEU  26           HB1      LEU  26  -1.817  -1.653   0.360
   97    HG   LEU  26           HG       LEU  26  -2.801  -3.671   1.001
   98   HD11  LEU  26          HD11      LEU  26  -5.073  -1.750   0.562
   99   HD12  LEU  26          HD12      LEU  26  -3.958  -1.756   1.927
  100   HD13  LEU  26          HD13      LEU  26  -5.065  -3.107   1.687
  101   HD21  LEU  26          HD21      LEU  26  -4.655  -3.452  -1.366
  102   HD22  LEU  26          HD22      LEU  26  -4.702  -4.714  -0.135
  103   HD23  LEU  26          HD23      LEU  26  -3.300  -4.569  -1.194
  104    H    TRP  27           HN       TRP  27  -2.784   1.577  -0.635
  105    HA   TRP  27           HA       TRP  27  -0.691   1.810  -2.683
  106    HB2  TRP  27           HB2      TRP  27  -2.533   3.830  -1.418
  107    HB3  TRP  27           HB1      TRP  27  -1.083   4.328  -2.280
  108    HD1  TRP  27           HD1      TRP  27  -3.132   1.394  -3.613
  109    HE1  TRP  27           HE1      TRP  27  -4.230   2.090  -5.833
  110    HE3  TRP  27           HE3      TRP  27  -1.967   6.370  -3.573
  111    HZ2  TRP  27           HZ2      TRP  27  -4.561   4.433  -7.359
  112    HZ3  TRP  27           HZ3      TRP  27  -2.712   7.769  -5.453
  113    HH2  TRP  27           HH2      TRP  27  -3.982   6.816  -7.306
  114    H    CYS  28           HN       CYS  28   1.223   3.023  -2.180
  115    HA   CYS  28           HA       CYS  28   2.205   2.383   0.451
  116    HB2  CYS  28           HB2      CYS  28   3.527   2.143  -1.698
  117    HB3  CYS  28           HB1      CYS  28   3.648   3.898  -1.726
  118    H    SER  29           HN       SER  29   2.333   3.722   2.143
  119    HA   SER  29           HA       SER  29   1.112   6.300   1.996
  120    HB2  SER  29           HB2      SER  29   1.671   6.414   4.414
  121    HB3  SER  29           HB1      SER  29   0.859   4.909   3.982
  122    HG   SER  29           HG       SER  29   2.513   3.991   4.886
  123    H    GLY  30           HN       GLY  30   4.313   5.158   1.649
  124    HA2  GLY  30           HA2      GLY  30   6.122   6.515   0.935
  125    HA3  GLY  30           HA1      GLY  30   5.324   7.907   1.655
  126    H    SER  31           HN       SER  31   4.800   6.003   4.030
  127    HA   SER  31           HA       SER  31   7.158   6.758   5.495
  128    HB2  SER  31           HB2      SER  31   4.906   6.872   6.509
  129    HB3  SER  31           HB1      SER  31   4.768   5.120   6.379
  130    HG   SER  31           HG       SER  31   6.903   6.358   7.769
  131    H    GLY  32           HN       GLY  32   6.156   4.080   3.668
  132    HA2  GLY  32           HA2      GLY  32   8.064   2.571   3.148
  133    HA3  GLY  32           HA1      GLY  32   8.284   2.438   4.886
  134    H    HIS  33           HN       HIS  33   5.044   2.553   4.510
  135    HA   HIS  33           HA       HIS  33   4.763  -0.317   3.949
  136    HB2  HIS  33           HB2      HIS  33   3.585   1.115   6.345
  137    HB3  HIS  33           HB1      HIS  33   3.199  -0.533   5.868
  138    HD1  HIS  33           HD1      HIS  33   5.488   1.397   7.913
  139    HD2  HIS  33           HD2      HIS  33   5.545  -2.303   6.018
  140    HE1  HIS  33           HE1      HIS  33   7.366   0.117   8.986
  141    HE2  HIS  33           HE2      HIS  33   7.288  -2.165   7.928
  142    H    CYS  34           HN       CYS  34   2.863  -0.891   2.956
  143    HA   CYS  34           HA       CYS  34   1.339   1.205   1.726
  144    HB2  CYS  34           HB2      CYS  34   1.054  -1.802   1.662
  145    HB3  CYS  34           HB1      CYS  34   0.036  -0.706   0.738
  146    H    TYR  35           HN       TYR  35  -0.832   1.681   1.976
  147    HA   TYR  35           HA       TYR  35  -2.074   0.672   4.453
  148    HB2  TYR  35           HB2      TYR  35  -3.026   2.867   4.849
  149    HB3  TYR  35           HB1      TYR  35  -1.286   3.027   4.672
  150    HD1  TYR  35           HD1      TYR  35  -4.530   3.977   3.372
  151    HD2  TYR  35           HD2      TYR  35  -0.354   3.990   2.560
  152    HE1  TYR  35           HE1      TYR  35  -4.873   5.708   1.661
  153    HE2  TYR  35           HE2      TYR  35  -0.687   5.720   0.846
  154    HH   TYR  35           HH       TYR  35  -3.482   7.522   0.573
  155    H    HIS  36           HN       HIS  36  -4.546   1.316   4.377
  156    HA   HIS  36           HA       HIS  36  -5.590  -0.172   2.134
  157    HB2  HIS  36           HB2      HIS  36  -7.172   1.231   4.299
  158    HB3  HIS  36           HB1      HIS  36  -7.714  -0.084   3.269
  159    HD1  HIS  36           HD1      HIS  36  -7.006  -2.489   3.930
  160    HD2  HIS  36           HD2      HIS  36  -5.615   0.477   6.502
  161    HE1  HIS  36           HE1      HIS  36  -6.219  -3.685   5.998
  162    HE2  HIS  36           HE2      HIS  36  -5.519  -1.864   7.589
  163    H    ARG  37           HN       ARG  37  -5.725   0.923   0.219
  164    HA   ARG  37           HA       ARG  37  -6.480   3.734   0.278
  165    HB2  ARG  37           HB2      ARG  37  -4.624   3.088  -1.179
  166    HB3  ARG  37           HB1      ARG  37  -5.683   1.990  -2.055
  167    HG2  ARG  37           HG2      ARG  37  -5.334   4.074  -3.275
  168    HG3  ARG  37           HG1      ARG  37  -7.027   3.862  -2.825
  169    HD2  ARG  37           HD2      ARG  37  -6.582   5.319  -0.837
  170    HD3  ARG  37           HD1      ARG  37  -4.987   5.646  -1.507
  171    HE   ARG  37           HE       ARG  37  -6.325   6.482  -3.523
  172   HH11  ARG  37          HH11      ARG  37  -7.465   6.666  -0.214
  173   HH12  ARG  37          HH12      ARG  37  -8.398   8.100  -0.484
  174   HH21  ARG  37          HH21      ARG  37  -7.566   8.377  -3.874
  175   HH22  ARG  37          HH22      ARG  37  -8.452   9.079  -2.559
  176    H    ARG  38           HN       ARG  38  -7.699   0.671  -1.004
  177    HA   ARG  38           HA       ARG  38 -10.191   2.025  -1.768
  178    HB2  ARG  38           HB2      ARG  38  -9.083  -0.682  -2.462
  179    HB3  ARG  38           HB1      ARG  38 -10.722  -0.200  -2.859
  180    HG2  ARG  38           HG2      ARG  38  -8.185   1.087  -3.836
  181    HG3  ARG  38           HG1      ARG  38  -9.282   0.068  -4.771
  182    HD2  ARG  38           HD2      ARG  38  -9.896   2.758  -3.573
  183    HD3  ARG  38           HD1      ARG  38  -9.685   2.392  -5.283
  184    HE   ARG  38           HE       ARG  38 -11.730   0.762  -4.444
  185   HH11  ARG  38          HH11      ARG  38 -11.132   4.214  -4.496
  186   HH12  ARG  38          HH12      ARG  38 -12.812   4.628  -4.627
  187   HH21  ARG  38          HH21      ARG  38 -13.942   1.310  -4.611
  188   HH22  ARG  38          HH22      ARG  38 -14.405   2.981  -4.694
  189    H    TYR  39           HN       TYR  39  -9.430   1.440   0.995
  190    HA   TYR  39           HA       TYR  39 -10.254   0.577   2.921
  191    HB2  TYR  39           HB2      TYR  39 -12.336   1.655   1.891
  192    HB3  TYR  39           HB1      TYR  39 -12.809   0.034   1.401
  193    HD1  TYR  39           HD1      TYR  39 -14.121  -1.240   2.842
  194    HD2  TYR  39           HD2      TYR  39 -11.837   1.975   4.436
  195    HE1  TYR  39           HE1      TYR  39 -15.183  -1.582   5.033
  196    HE2  TYR  39           HE2      TYR  39 -12.890   1.639   6.631
  197    HH   TYR  39           HH       TYR  39 -14.660  -1.114   7.425
  198    H    THR  40           HN       THR  40  -8.909  -1.142   1.020
  199    HA   THR  40           HA       THR  40 -10.198  -3.717   1.142
  200    HB   THR  40           HB       THR  40  -7.388  -3.070   0.226
  201    HG1  THR  40           HG1      THR  40  -9.899  -2.778  -1.017
  202   HG21  THR  40          HG21      THR  40  -9.246  -5.362  -0.435
  203   HG22  THR  40          HG22      THR  40  -7.825  -5.451   0.606
  204   HG23  THR  40          HG23      THR  40  -7.637  -5.111  -1.114
  Start of MODEL    9
    1    H1   CYS   9           HT1      CYS   9   3.897  -7.520  -5.404
    2    H2   CYS   9           HT2      CYS   9   2.728  -7.877  -6.573
    3    H3   CYS   9           HT3      CYS   9   2.837  -8.815  -5.169
    4    HA   CYS   9           HA       CYS   9   2.099  -5.961  -5.281
    5    HB2  CYS   9           HB2      CYS   9   0.525  -8.458  -5.317
    6    HB3  CYS   9           HB1      CYS   9  -0.061  -7.198  -4.239
    7    H    GLY  10           HN       GLY  10   0.522  -5.937  -3.083
    8    HA2  GLY  10           HA2      GLY  10   1.864  -6.974  -0.786
    9    HA3  GLY  10           HA1      GLY  10   2.216  -5.269  -1.075
   10    H    GLY  11           HN       GLY  11   0.556  -6.802   0.983
   11    HA2  GLY  11           HA2      GLY  11  -2.038  -5.527   0.538
   12    HA3  GLY  11           HA1      GLY  11  -1.668  -6.690   1.797
   13    H    ALA  12           HN       ALA  12  -2.743  -5.185   3.249
   14    HA   ALA  12           HA       ALA  12  -1.660  -2.569   3.660
   15    HB1  ALA  12           HB1      ALA  12  -3.486  -4.210   5.414
   16    HB2  ALA  12           HB2      ALA  12  -3.992  -3.068   4.169
   17    HB3  ALA  12           HB3      ALA  12  -3.144  -2.491   5.604
   18    H    GLY  13           HN       GLY  13   0.123  -2.067   4.729
   19    HA2  GLY  13           HA2      GLY  13   1.520  -2.127   6.654
   20    HA3  GLY  13           HA1      GLY  13   1.017  -3.785   6.940
   21    H    ALA  14           HN       ALA  14   1.560  -3.564   3.716
   22    HA   ALA  14           HA       ALA  14   4.016  -5.022   3.864
   23    HB1  ALA  14           HB1      ALA  14   2.322  -5.470   2.142
   24    HB2  ALA  14           HB2      ALA  14   3.891  -5.089   1.436
   25    HB3  ALA  14           HB3      ALA  14   2.614  -3.874   1.451
   26    H    LYS  15           HN       LYS  15   6.074  -4.342   3.506
   27    HA   LYS  15           HA       LYS  15   6.605  -1.540   3.698
   28    HB2  LYS  15           HB2      LYS  15   8.982  -2.189   3.567
   29    HB3  LYS  15           HB1      LYS  15   8.101  -3.115   4.772
   30    HG2  LYS  15           HG2      LYS  15   8.020  -5.027   3.318
   31    HG3  LYS  15           HG1      LYS  15   8.751  -4.103   2.006
   32    HD2  LYS  15           HD2      LYS  15  10.770  -3.794   3.382
   33    HD3  LYS  15           HD1      LYS  15  10.038  -4.778   4.647
   34    HE2  LYS  15           HE2      LYS  15  11.598  -6.089   3.309
   35    HE3  LYS  15           HE1      LYS  15   9.947  -6.684   3.129
   36    HZ1  LYS  15           HZ1      LYS  15  11.152  -6.562   1.016
   37    HZ2  LYS  15           HZ2      LYS  15  11.320  -4.888   1.199
   38    HZ3  LYS  15           HZ3      LYS  15   9.784  -5.569   1.020
   39    H    CYS  16           HN       CYS  16   7.415  -0.140   2.153
   40    HA   CYS  16           HA       CYS  16   7.689  -1.029  -0.592
   41    HB2  CYS  16           HB2      CYS  16   5.797   0.371  -1.380
   42    HB3  CYS  16           HB1      CYS  16   5.269  -0.963  -0.353
   43    H    SER  17           HN       SER  17   8.415   0.596  -2.004
   44    HA   SER  17           HA       SER  17   9.042   3.203  -0.792
   45    HB2  SER  17           HB2      SER  17  10.371   1.843  -3.153
   46    HB3  SER  17           HB1      SER  17  10.808   3.418  -2.495
   47    HG   SER  17           HG       SER  17  11.693   1.047  -1.742
   48    H    THR  18           HN       THR  18   7.678   1.473  -3.513
   49    HA   THR  18           HA       THR  18   6.311   3.946  -4.349
   50    HB   THR  18           HB       THR  18   6.115   2.892  -6.611
   51    HG1  THR  18           HG1      THR  18   7.468   1.115  -7.064
   52   HG21  THR  18          HG21      THR  18   7.833   4.574  -6.193
   53   HG22  THR  18          HG22      THR  18   8.433   3.343  -7.303
   54   HG23  THR  18          HG23      THR  18   8.935   3.325  -5.613
   55    H    LYS  19           HN       LYS  19   4.122   3.628  -5.154
   56    HA   LYS  19           HA       LYS  19   2.692   1.733  -3.538
   57    HB2  LYS  19           HB2      LYS  19   0.671   2.714  -4.557
   58    HB3  LYS  19           HB1      LYS  19   1.736   3.917  -3.852
   59    HG2  LYS  19           HG2      LYS  19   2.596   4.439  -6.089
   60    HG3  LYS  19           HG1      LYS  19   1.476   3.265  -6.779
   61    HD2  LYS  19           HD2      LYS  19  -0.411   4.542  -6.015
   62    HD3  LYS  19           HD1      LYS  19   0.642   5.645  -5.127
   63    HE2  LYS  19           HE2      LYS  19   0.612   5.278  -8.120
   64    HE3  LYS  19           HE1      LYS  19  -0.142   6.610  -7.246
   65    HZ1  LYS  19           HZ1      LYS  19   1.996   7.265  -8.110
   66    HZ2  LYS  19           HZ2      LYS  19   2.762   5.989  -7.315
   67    HZ3  LYS  19           HZ3      LYS  19   2.057   7.239  -6.421
   68    H    SER  20           HN       SER  20   3.982   1.696  -6.674
   69    HA   SER  20           HA       SER  20   2.180  -0.211  -7.807
   70    HB2  SER  20           HB2      SER  20   5.028   0.388  -8.635
   71    HB3  SER  20           HB1      SER  20   3.758  -0.331  -9.626
   72    HG   SER  20           HG       SER  20   4.239   2.045  -9.818
   73    H    ASP  21           HN       ASP  21   4.600  -0.362  -5.482
   74    HA   ASP  21           HA       ASP  21   5.596  -2.992  -5.937
   75    HB2  ASP  21           HB2      ASP  21   6.589  -1.119  -4.457
   76    HB3  ASP  21           HB1      ASP  21   5.432  -1.648  -3.242
   77    H    CYS  22           HN       CYS  22   2.950  -1.596  -4.117
   78    HA   CYS  22           HA       CYS  22   2.004  -4.250  -3.332
   79    HB2  CYS  22           HB2      CYS  22   1.049  -1.485  -2.556
   80    HB3  CYS  22           HB1      CYS  22   0.337  -2.985  -1.979
   81    H    CYS  23           HN       CYS  23  -0.605  -4.275  -3.438
   82    HA   CYS  23           HA       CYS  23  -1.155  -4.107  -6.267
   83    HB2  CYS  23           HB2      CYS  23  -2.371  -5.430  -3.950
   84    HB3  CYS  23           HB1      CYS  23  -3.535  -4.819  -5.115
   85    H    SER  24           HN       SER  24  -3.432  -3.258  -6.884
   86    HA   SER  24           HA       SER  24  -3.223  -0.513  -6.847
   87    HB2  SER  24           HB2      SER  24  -5.801  -2.025  -7.270
   88    HB3  SER  24           HB1      SER  24  -5.349  -0.462  -7.953
   89    HG   SER  24           HG       SER  24  -3.674  -1.540  -9.097
   90    H    GLY  25           HN       GLY  25  -5.292  -2.524  -4.765
   91    HA2  GLY  25           HA2      GLY  25  -6.704  -0.318  -3.628
   92    HA3  GLY  25           HA1      GLY  25  -6.694  -1.967  -3.026
   93    H    LEU  26           HN       LEU  26  -3.591  -1.564  -3.048
   94    HA   LEU  26           HA       LEU  26  -3.539  -0.311  -0.389
   95    HB2  LEU  26           HB2      LEU  26  -1.668  -2.353  -1.583
   96    HB3  LEU  26           HB1      LEU  26  -1.434  -1.576  -0.036
   97    HG   LEU  26           HG       LEU  26  -2.290  -3.626   0.559
   98   HD11  LEU  26          HD11      LEU  26  -3.564  -1.836   1.608
   99   HD12  LEU  26          HD12      LEU  26  -4.527  -3.298   1.395
  100   HD13  LEU  26          HD13      LEU  26  -4.754  -1.929   0.309
  101   HD21  LEU  26          HD21      LEU  26  -2.825  -4.394  -1.706
  102   HD22  LEU  26          HD22      LEU  26  -4.322  -3.463  -1.656
  103   HD23  LEU  26          HD23      LEU  26  -4.083  -4.809  -0.541
  104    H    TRP  27           HN       TRP  27  -2.788   1.670  -0.437
  105    HA   TRP  27           HA       TRP  27  -0.892   2.463  -2.519
  106    HB2  TRP  27           HB2      TRP  27  -2.699   4.011  -0.672
  107    HB3  TRP  27           HB1      TRP  27  -1.382   4.801  -1.535
  108    HD1  TRP  27           HD1      TRP  27  -4.264   2.394  -2.584
  109    HE1  TRP  27           HE1      TRP  27  -5.272   3.292  -4.775
  110    HE3  TRP  27           HE3      TRP  27  -1.292   6.505  -3.228
  111    HZ2  TRP  27           HZ2      TRP  27  -4.865   5.460  -6.537
  112    HZ3  TRP  27           HZ3      TRP  27  -1.672   7.941  -5.187
  113    HH2  TRP  27           HH2      TRP  27  -3.423   7.427  -6.807
  114    H    CYS  28           HN       CYS  28   1.082   3.455  -2.021
  115    HA   CYS  28           HA       CYS  28   2.222   2.385   0.417
  116    HB2  CYS  28           HB2      CYS  28   3.377   2.080  -1.740
  117    HB3  CYS  28           HB1      CYS  28   3.552   3.825  -1.884
  118    H    SER  29           HN       SER  29   2.349   3.523   2.207
  119    HA   SER  29           HA       SER  29   2.075   6.401   2.193
  120    HB2  SER  29           HB2      SER  29   0.969   5.065   3.940
  121    HB3  SER  29           HB1      SER  29   2.532   4.442   4.465
  122    HG   SER  29           HG       SER  29   1.678   7.159   4.540
  123    H    GLY  30           HN       GLY  30   3.630   7.822   3.162
  124    HA2  GLY  30           HA2      GLY  30   6.285   7.400   2.294
  125    HA3  GLY  30           HA1      GLY  30   5.737   8.710   3.331
  126    H    SER  31           HN       SER  31   4.677   6.369   5.095
  127    HA   SER  31           HA       SER  31   7.031   6.150   6.743
  128    HB2  SER  31           HB2      SER  31   4.315   4.863   7.093
  129    HB3  SER  31           HB1      SER  31   5.566   5.033   8.324
  130    HG   SER  31           HG       SER  31   5.147   7.445   7.381
  131    H    GLY  32           HN       GLY  32   6.462   4.719   3.992
  132    HA2  GLY  32           HA2      GLY  32   7.619   2.978   3.032
  133    HA3  GLY  32           HA1      GLY  32   8.260   2.581   4.614
  134    H    HIS  33           HN       HIS  33   4.830   2.777   4.356
  135    HA   HIS  33           HA       HIS  33   4.616  -0.111   3.940
  136    HB2  HIS  33           HB2      HIS  33   3.571   1.365   6.359
  137    HB3  HIS  33           HB1      HIS  33   2.981  -0.223   5.878
  138    HD1  HIS  33           HD1      HIS  33   5.251   1.198   8.162
  139    HD2  HIS  33           HD2      HIS  33   5.434  -2.051   5.578
  140    HE1  HIS  33           HE1      HIS  33   7.079  -0.275   9.056
  141    HE2  HIS  33           HE2      HIS  33   7.053  -2.312   7.575
  142    H    CYS  34           HN       CYS  34   2.797  -0.754   2.923
  143    HA   CYS  34           HA       CYS  34   1.155   1.275   1.714
  144    HB2  CYS  34           HB2      CYS  34   1.059  -1.742   1.527
  145    HB3  CYS  34           HB1      CYS  34   0.084  -0.646   0.561
  146    H    TYR  35           HN       TYR  35  -1.027   1.607   1.978
  147    HA   TYR  35           HA       TYR  35  -2.310   0.214   4.231
  148    HB2  TYR  35           HB2      TYR  35  -3.379   2.320   4.902
  149    HB3  TYR  35           HB1      TYR  35  -1.628   2.451   4.972
  150    HD1  TYR  35           HD1      TYR  35  -4.656   3.817   3.613
  151    HD2  TYR  35           HD2      TYR  35  -0.439   3.659   3.083
  152    HE1  TYR  35           HE1      TYR  35  -4.760   5.842   2.222
  153    HE2  TYR  35           HE2      TYR  35  -0.533   5.681   1.688
  154    HH   TYR  35           HH       TYR  35  -2.102   6.926   0.348
  155    H    HIS  36           HN       HIS  36  -4.645   0.133   4.119
  156    HA   HIS  36           HA       HIS  36  -5.437  -0.388   1.403
  157    HB2  HIS  36           HB2      HIS  36  -7.589  -1.207   2.492
  158    HB3  HIS  36           HB1      HIS  36  -6.118  -2.080   2.878
  159    HD1  HIS  36           HD1      HIS  36  -6.251  -2.828   5.218
  160    HD2  HIS  36           HD2      HIS  36  -7.862   0.976   4.757
  161    HE1  HIS  36           HE1      HIS  36  -6.975  -2.118   7.515
  162    HE2  HIS  36           HE2      HIS  36  -8.094   0.112   7.184
  163    H    ARG  37           HN       ARG  37  -5.331   1.886   0.740
  164    HA   ARG  37           HA       ARG  37  -7.145   3.805   1.774
  165    HB2  ARG  37           HB2      ARG  37  -5.050   4.271   0.397
  166    HB3  ARG  37           HB1      ARG  37  -6.006   3.843  -1.017
  167    HG2  ARG  37           HG2      ARG  37  -7.648   5.605  -0.314
  168    HG3  ARG  37           HG1      ARG  37  -6.471   6.113   0.896
  169    HD2  ARG  37           HD2      ARG  37  -6.121   7.537  -0.939
  170    HD3  ARG  37           HD1      ARG  37  -4.826   6.342  -1.029
  171    HE   ARG  37           HE       ARG  37  -6.450   5.188  -2.667
  172   HH11  ARG  37          HH11      ARG  37  -5.980   8.644  -2.352
  173   HH12  ARG  37          HH12      ARG  37  -6.497   8.988  -3.971
  174   HH21  ARG  37          HH21      ARG  37  -7.148   5.642  -4.790
  175   HH22  ARG  37          HH22      ARG  37  -7.156   7.281  -5.357
  176    H    ARG  38           HN       ARG  38  -7.363   1.422  -0.797
  177    HA   ARG  38           HA       ARG  38  -9.918   2.398  -1.715
  178    HB2  ARG  38           HB2      ARG  38  -8.302   1.253  -3.218
  179    HB3  ARG  38           HB1      ARG  38  -8.545  -0.228  -2.308
  180    HG2  ARG  38           HG2      ARG  38 -10.897  -0.249  -2.958
  181    HG3  ARG  38           HG1      ARG  38 -10.655   1.240  -3.872
  182    HD2  ARG  38           HD2      ARG  38  -9.016   0.096  -5.283
  183    HD3  ARG  38           HD1      ARG  38  -9.276  -1.390  -4.378
  184    HE   ARG  38           HE       ARG  38 -11.759  -0.713  -5.251
  185   HH11  ARG  38          HH11      ARG  38  -8.677  -1.167  -6.846
  186   HH12  ARG  38          HH12      ARG  38  -9.380  -1.768  -8.313
  187   HH21  ARG  38          HH21      ARG  38 -12.691  -1.472  -7.191
  188   HH22  ARG  38          HH22      ARG  38 -11.667  -1.922  -8.517
  189    H    TYR  39           HN       TYR  39  -8.911   0.717   0.934
  190    HA   TYR  39           HA       TYR  39  -9.817  -0.653   2.484
  191    HB2  TYR  39           HB2      TYR  39 -12.302   0.675   1.407
  192    HB3  TYR  39           HB1      TYR  39 -12.338  -0.428   2.780
  193    HD1  TYR  39           HD1      TYR  39 -11.038   2.819   1.581
  194    HD2  TYR  39           HD2      TYR  39 -11.618   0.264   4.931
  195    HE1  TYR  39           HE1      TYR  39 -10.429   4.665   3.087
  196    HE2  TYR  39           HE2      TYR  39 -11.016   2.101   6.445
  197    HH   TYR  39           HH       TYR  39  -9.791   4.177   6.419
  198    H    THR  40           HN       THR  40  -9.041  -2.024   0.362
  199    HA   THR  40           HA       THR  40 -11.129  -3.696  -0.664
  200    HB   THR  40           HB       THR  40  -9.232  -3.215  -2.099
  201    HG1  THR  40           HG1      THR  40 -10.315  -5.427  -1.962
  202   HG21  THR  40          HG21      THR  40  -7.002  -4.179  -1.644
  203   HG22  THR  40          HG22      THR  40  -7.558  -4.653  -0.040
  204   HG23  THR  40          HG23      THR  40  -7.461  -2.946  -0.470
  Start of MODEL   10
    1    H1   CYS   9           HT1      CYS   9   1.236  -9.418  -4.953
    2    H2   CYS   9           HT2      CYS   9   2.601  -8.561  -5.458
    3    H3   CYS   9           HT3      CYS   9   1.226  -8.609  -6.437
    4    HA   CYS   9           HA       CYS   9   1.435  -6.498  -5.311
    5    HB2  CYS   9           HB2      CYS   9  -0.852  -8.315  -4.693
    6    HB3  CYS   9           HB1      CYS   9  -0.845  -6.672  -4.071
    7    H    GLY  10           HN       GLY  10   0.347  -5.689  -3.048
    8    HA2  GLY  10           HA2      GLY  10   1.712  -6.991  -0.818
    9    HA3  GLY  10           HA1      GLY  10   2.127  -5.317  -1.196
   10    H    GLY  11           HN       GLY  11   0.328  -7.078   0.838
   11    HA2  GLY  11           HA2      GLY  11  -2.126  -5.619   0.745
   12    HA3  GLY  11           HA1      GLY  11  -1.657  -6.773   1.973
   13    H    ALA  12           HN       ALA  12  -2.821  -4.967   3.226
   14    HA   ALA  12           HA       ALA  12  -1.522  -2.509   3.694
   15    HB1  ALA  12           HB1      ALA  12  -3.332  -4.049   5.554
   16    HB2  ALA  12           HB2      ALA  12  -3.861  -2.916   4.311
   17    HB3  ALA  12           HB3      ALA  12  -2.917  -2.341   5.685
   18    H    GLY  13           HN       GLY  13   0.154  -1.957   4.947
   19    HA2  GLY  13           HA2      GLY  13   1.653  -2.135   6.747
   20    HA3  GLY  13           HA1      GLY  13   1.092  -3.774   7.030
   21    H    ALA  14           HN       ALA  14   1.603  -3.563   3.794
   22    HA   ALA  14           HA       ALA  14   4.041  -5.073   3.948
   23    HB1  ALA  14           HB1      ALA  14   2.322  -5.589   2.275
   24    HB2  ALA  14           HB2      ALA  14   3.873  -5.218   1.523
   25    HB3  ALA  14           HB3      ALA  14   2.585  -4.013   1.526
   26    H    LYS  15           HN       LYS  15   6.079  -4.462   3.310
   27    HA   LYS  15           HA       LYS  15   6.630  -1.648   3.483
   28    HB2  LYS  15           HB2      LYS  15   9.010  -2.350   3.242
   29    HB3  LYS  15           HB1      LYS  15   8.168  -3.136   4.565
   30    HG2  LYS  15           HG2      LYS  15   7.836  -5.112   3.068
   31    HG3  LYS  15           HG1      LYS  15   8.897  -4.320   1.900
   32    HD2  LYS  15           HD2      LYS  15  10.676  -4.249   3.600
   33    HD3  LYS  15           HD1      LYS  15   9.613  -5.088   4.731
   34    HE2  LYS  15           HE2      LYS  15  11.137  -6.668   3.726
   35    HE3  LYS  15           HE1      LYS  15   9.497  -6.991   3.166
   36    HZ1  LYS  15           HZ1      LYS  15  11.544  -5.472   1.646
   37    HZ2  LYS  15           HZ2      LYS  15   9.995  -5.879   1.105
   38    HZ3  LYS  15           HZ3      LYS  15  11.139  -7.090   1.379
   39    H    CYS  16           HN       CYS  16   7.336  -0.299   1.909
   40    HA   CYS  16           HA       CYS  16   7.309  -1.276  -0.847
   41    HB2  CYS  16           HB2      CYS  16   5.676   0.577  -1.397
   42    HB3  CYS  16           HB1      CYS  16   5.005  -0.766  -0.473
   43    H    SER  17           HN       SER  17   8.546  -0.088  -2.221
   44    HA   SER  17           HA       SER  17   9.857   2.311  -1.191
   45    HB2  SER  17           HB2      SER  17  11.216   0.563  -2.366
   46    HB3  SER  17           HB1      SER  17  10.273   0.857  -3.824
   47    HG   SER  17           HG       SER  17  11.171   3.197  -2.928
   48    H    THR  18           HN       THR  18   7.618   1.138  -3.595
   49    HA   THR  18           HA       THR  18   6.544   3.850  -3.851
   50    HB   THR  18           HB       THR  18   6.062   3.429  -6.263
   51    HG1  THR  18           HG1      THR  18   7.463   1.060  -5.652
   52   HG21  THR  18          HG21      THR  18   8.346   3.838  -7.085
   53   HG22  THR  18          HG22      THR  18   8.990   3.353  -5.517
   54   HG23  THR  18          HG23      THR  18   7.986   4.797  -5.651
   55    H    LYS  19           HN       LYS  19   4.302   3.549  -5.134
   56    HA   LYS  19           HA       LYS  19   2.686   1.851  -3.532
   57    HB2  LYS  19           HB2      LYS  19   0.864   2.534  -5.090
   58    HB3  LYS  19           HB1      LYS  19   1.753   3.886  -4.398
   59    HG2  LYS  19           HG2      LYS  19   3.133   3.879  -6.528
   60    HG3  LYS  19           HG1      LYS  19   1.914   2.788  -7.185
   61    HD2  LYS  19           HD2      LYS  19   0.206   4.427  -6.952
   62    HD3  LYS  19           HD1      LYS  19   1.260   5.478  -6.002
   63    HE2  LYS  19           HE2      LYS  19   2.728   5.728  -7.969
   64    HE3  LYS  19           HE1      LYS  19   1.608   4.743  -8.906
   65    HZ1  LYS  19           HZ1      LYS  19   1.299   7.141  -9.235
   66    HZ2  LYS  19           HZ2      LYS  19   0.902   7.312  -7.600
   67    HZ3  LYS  19           HZ3      LYS  19  -0.086   6.394  -8.619
   68    H    SER  20           HN       SER  20   4.387   1.384  -6.483
   69    HA   SER  20           HA       SER  20   2.771  -0.731  -7.513
   70    HB2  SER  20           HB2      SER  20   5.625   0.017  -8.181
   71    HB3  SER  20           HB1      SER  20   4.567  -1.014  -9.146
   72    HG   SER  20           HG       SER  20   4.378   0.978 -10.034
   73    H    ASP  21           HN       ASP  21   4.910  -0.580  -4.938
   74    HA   ASP  21           HA       ASP  21   5.882  -3.285  -5.054
   75    HB2  ASP  21           HB2      ASP  21   5.749  -1.258  -2.815
   76    HB3  ASP  21           HB1      ASP  21   6.410  -2.874  -2.606
   77    H    CYS  22           HN       CYS  22   2.928  -1.879  -4.482
   78    HA   CYS  22           HA       CYS  22   1.947  -4.292  -3.130
   79    HB2  CYS  22           HB2      CYS  22   1.088  -1.440  -2.605
   80    HB3  CYS  22           HB1      CYS  22   0.323  -2.867  -1.914
   81    H    CYS  23           HN       CYS  23  -0.777  -3.722  -3.247
   82    HA   CYS  23           HA       CYS  23  -1.204  -4.028  -6.113
   83    HB2  CYS  23           HB2      CYS  23  -2.364  -5.167  -3.822
   84    HB3  CYS  23           HB1      CYS  23  -3.626  -4.195  -4.566
   85    H    SER  24           HN       SER  24  -3.518  -3.039  -6.798
   86    HA   SER  24           HA       SER  24  -3.111  -0.221  -6.741
   87    HB2  SER  24           HB2      SER  24  -5.447  -1.829  -7.788
   88    HB3  SER  24           HB1      SER  24  -5.162  -0.120  -8.112
   89    HG   SER  24           HG       SER  24  -3.637  -2.357  -8.943
   90    H    GLY  25           HN       GLY  25  -4.942  -2.387  -4.796
   91    HA2  GLY  25           HA2      GLY  25  -6.693  -0.358  -3.723
   92    HA3  GLY  25           HA1      GLY  25  -6.538  -2.013  -3.153
   93    H    LEU  26           HN       LEU  26  -3.540  -1.549  -3.050
   94    HA   LEU  26           HA       LEU  26  -3.555  -0.276  -0.403
   95    HB2  LEU  26           HB2      LEU  26  -1.609  -2.287  -1.532
   96    HB3  LEU  26           HB1      LEU  26  -1.505  -1.555   0.050
   97    HG   LEU  26           HG       LEU  26  -2.326  -3.699   0.438
   98   HD11  LEU  26          HD11      LEU  26  -3.576  -1.955   1.610
   99   HD12  LEU  26          HD12      LEU  26  -4.536  -3.406   1.320
  100   HD13  LEU  26          HD13      LEU  26  -4.777  -1.974   0.318
  101   HD21  LEU  26          HD21      LEU  26  -4.348  -3.319  -1.759
  102   HD22  LEU  26          HD22      LEU  26  -4.138  -4.756  -0.757
  103   HD23  LEU  26          HD23      LEU  26  -2.868  -4.270  -1.877
  104    H    TRP  27           HN       TRP  27  -2.778   1.705  -0.450
  105    HA   TRP  27           HA       TRP  27  -0.827   2.412  -2.516
  106    HB2  TRP  27           HB2      TRP  27  -2.721   4.054  -0.849
  107    HB3  TRP  27           HB1      TRP  27  -1.380   4.796  -1.718
  108    HD1  TRP  27           HD1      TRP  27  -4.434   2.535  -2.529
  109    HE1  TRP  27           HE1      TRP  27  -5.283   3.165  -4.875
  110    HE3  TRP  27           HE3      TRP  27  -0.900   6.019  -3.757
  111    HZ2  TRP  27           HZ2      TRP  27  -4.547   4.905  -6.970
  112    HZ3  TRP  27           HZ3      TRP  27  -1.044   7.119  -5.954
  113    HH2  TRP  27           HH2      TRP  27  -2.831   6.572  -7.526
  114    H    CYS  28           HN       CYS  28   1.166   3.124  -2.052
  115    HA   CYS  28           HA       CYS  28   2.205   2.509   0.554
  116    HB2  CYS  28           HB2      CYS  28   3.448   1.972  -1.513
  117    HB3  CYS  28           HB1      CYS  28   3.584   3.692  -1.864
  118    H    SER  29           HN       SER  29   2.586   3.897   2.175
  119    HA   SER  29           HA       SER  29   1.917   6.672   1.869
  120    HB2  SER  29           HB2      SER  29   1.448   5.362   3.950
  121    HB3  SER  29           HB1      SER  29   3.184   5.281   4.242
  122    HG   SER  29           HG       SER  29   1.649   7.121   5.108
  123    H    GLY  30           HN       GLY  30   3.505   7.103   0.190
  124    HA2  GLY  30           HA2      GLY  30   5.378   8.342  -0.370
  125    HA3  GLY  30           HA1      GLY  30   5.908   8.240   1.303
  126    H    SER  31           HN       SER  31   6.892   6.241   2.011
  127    HA   SER  31           HA       SER  31   7.806   4.334   0.079
  128    HB2  SER  31           HB2      SER  31  10.263   4.935   0.504
  129    HB3  SER  31           HB1      SER  31   9.364   6.003  -0.573
  130    HG   SER  31           HG       SER  31   9.101   6.804   1.989
  131    H    GLY  32           HN       GLY  32   6.379   4.026   2.410
  132    HA2  GLY  32           HA2      GLY  32   8.366   2.775   4.199
  133    HA3  GLY  32           HA1      GLY  32   6.996   3.675   4.831
  134    H    HIS  33           HN       HIS  33   4.891   2.818   4.592
  135    HA   HIS  33           HA       HIS  33   4.772  -0.017   3.810
  136    HB2  HIS  33           HB2      HIS  33   3.566   1.245   6.285
  137    HB3  HIS  33           HB1      HIS  33   3.141  -0.359   5.695
  138    HD1  HIS  33           HD1      HIS  33   5.348   1.279   7.988
  139    HD2  HIS  33           HD2      HIS  33   5.581  -2.095   5.573
  140    HE1  HIS  33           HE1      HIS  33   7.199  -0.117   8.956
  141    HE2  HIS  33           HE2      HIS  33   7.204  -2.226   7.582
  142    H    CYS  34           HN       CYS  34   2.743  -0.725   3.062
  143    HA   CYS  34           HA       CYS  34   1.175   1.361   1.803
  144    HB2  CYS  34           HB2      CYS  34   1.109  -1.649   1.592
  145    HB3  CYS  34           HB1      CYS  34   0.031  -0.585   0.702
  146    H    TYR  35           HN       TYR  35  -1.013   1.678   2.055
  147    HA   TYR  35           HA       TYR  35  -2.291   0.313   4.331
  148    HB2  TYR  35           HB2      TYR  35  -3.500   2.449   4.798
  149    HB3  TYR  35           HB1      TYR  35  -1.764   2.561   5.059
  150    HD1  TYR  35           HD1      TYR  35  -4.557   3.602   2.900
  151    HD2  TYR  35           HD2      TYR  35  -0.393   3.994   3.689
  152    HE1  TYR  35           HE1      TYR  35  -4.468   5.570   1.428
  153    HE2  TYR  35           HE2      TYR  35  -0.294   5.959   2.218
  154    HH   TYR  35           HH       TYR  35  -1.515   6.935   0.367
  155    H    HIS  36           HN       HIS  36  -4.661   0.187   4.163
  156    HA   HIS  36           HA       HIS  36  -5.291  -0.448   1.416
  157    HB2  HIS  36           HB2      HIS  36  -7.351  -1.499   2.320
  158    HB3  HIS  36           HB1      HIS  36  -5.858  -2.161   2.946
  159    HD1  HIS  36           HD1      HIS  36  -7.513  -3.127   4.783
  160    HD2  HIS  36           HD2      HIS  36  -6.922   0.984   4.871
  161    HE1  HIS  36           HE1      HIS  36  -8.310  -2.375   7.049
  162    HE2  HIS  36           HE2      HIS  36  -8.129   0.136   6.991
  163    H    ARG  37           HN       ARG  37  -5.280   1.689   0.709
  164    HA   ARG  37           HA       ARG  37  -6.950   3.761   1.455
  165    HB2  ARG  37           HB2      ARG  37  -5.016   3.829  -0.132
  166    HB3  ARG  37           HB1      ARG  37  -6.036   3.069  -1.340
  167    HG2  ARG  37           HG2      ARG  37  -6.878   5.632  -0.078
  168    HG3  ARG  37           HG1      ARG  37  -5.673   5.629  -1.361
  169    HD2  ARG  37           HD2      ARG  37  -7.331   4.316  -2.739
  170    HD3  ARG  37           HD1      ARG  37  -8.521   4.669  -1.486
  171    HE   ARG  37           HE       ARG  37  -7.166   6.993  -2.517
  172   HH11  ARG  37          HH11      ARG  37  -9.912   4.851  -2.899
  173   HH12  ARG  37          HH12      ARG  37 -10.838   5.996  -3.812
  174   HH21  ARG  37          HH21      ARG  37  -8.386   8.493  -3.732
  175   HH22  ARG  37          HH22      ARG  37  -9.968   8.061  -4.292
  176    H    ARG  38           HN       ARG  38  -7.500   1.281  -1.016
  177    HA   ARG  38           HA       ARG  38 -10.199   2.233  -1.490
  178    HB2  ARG  38           HB2      ARG  38  -8.677  -0.078  -2.686
  179    HB3  ARG  38           HB1      ARG  38 -10.272   0.447  -3.205
  180    HG2  ARG  38           HG2      ARG  38  -9.319   2.647  -3.797
  181    HG3  ARG  38           HG1      ARG  38  -7.721   2.038  -3.367
  182    HD2  ARG  38           HD2      ARG  38  -8.069   1.919  -5.773
  183    HD3  ARG  38           HD1      ARG  38  -7.927   0.303  -5.087
  184    HE   ARG  38           HE       ARG  38 -10.622   0.833  -5.143
  185   HH11  ARG  38          HH11      ARG  38  -8.046   0.720  -7.509
  186   HH12  ARG  38          HH12      ARG  38  -9.081   0.208  -8.801
  187   HH21  ARG  38          HH21      ARG  38 -11.986   0.160  -6.844
  188   HH22  ARG  38          HH22      ARG  38 -11.316  -0.126  -8.420
  189    H    TYR  39           HN       TYR  39  -9.529   1.069   1.115
  190    HA   TYR  39           HA       TYR  39 -10.448  -0.251   2.695
  191    HB2  TYR  39           HB2      TYR  39 -12.723  -0.425   0.718
  192    HB3  TYR  39           HB1      TYR  39 -12.812  -0.941   2.397
  193    HD1  TYR  39           HD1      TYR  39 -12.461   0.825   4.202
  194    HD2  TYR  39           HD2      TYR  39 -13.154   1.796   0.119
  195    HE1  TYR  39           HE1      TYR  39 -13.148   3.090   4.865
  196    HE2  TYR  39           HE2      TYR  39 -13.841   4.065   0.769
  197    HH   TYR  39           HH       TYR  39 -14.774   5.193   2.818
  198    H    THR  40           HN       THR  40  -8.591  -1.553   1.295
  199    HA   THR  40           HA       THR  40  -9.600  -4.169   0.573
  200    HB   THR  40           HB       THR  40  -6.707  -3.345   0.847
  201    HG1  THR  40           HG1      THR  40  -8.390  -3.159  -1.456
  202   HG21  THR  40          HG21      THR  40  -7.104  -5.744   0.638
  203   HG22  THR  40          HG22      THR  40  -6.361  -5.113  -0.832
  204   HG23  THR  40          HG23      THR  40  -8.087  -5.470  -0.800