*HEADER    PLANT PROTEIN                           14-OCT-13   2MFO              
*TITLE     SOLUTION STRUCTURE OF THE C-TERMINALLY ENCODED PEPTIDE OF THE MODEL   
*TITLE    2 PLANT HOST MEDICAGO TRUNCATULA - CEP1                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: CEP1;                                                      
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: MEDICAGO TRUNCATULA;                            
*SOURCE   4 ORGANISM_TAXID: 3880;                                                
*SOURCE   5 OTHER_DETAILS: SYNTHETIC PEPTIDE WITH MODIFICATION OF HYDROXY-       
*SOURCE   6 PROLINE AT POSITIONS 4 AND 11                                        
*KEYWDS    CEP, MEDICAGO, ROOT-KNOT NEMATODE, CLE, PLANT PROTEIN                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    B.G.BOBAY, P.DIGENNARO, D.MCK. BIRD                                   
*REVDAT   1   11-DEC-13 2MFO    0                                                


assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HA2) 2.548 0.811 0.811 weight 1.000 ! spec=noesy_300ms, no=4, id=4, vol=1.816045e+03
    or (segid "    " and resid    8 and name   HN) (segid "    " and resid   14 and name  HA2)
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    7 and name  HG2) 3.062 1.172 1.172 weight 1.000 ! spec=noesy_300ms, no=9, id=9, vol=6.018966e+02
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid   11 and name  HG2)
    or (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name  HG2)
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    8 and name  HA2) 2.331 0.679 0.679 weight 1.000 ! spec=noesy_300ms, no=18, id=18, vol=3.091220e+03
    or (segid "    " and resid    9 and name   HN) (segid "    " and resid   14 and name  HA2)
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name   HA) 2.169 0.588 0.588 weight 1.000 ! spec=noesy_300ms, no=19, id=19, vol=4.761451e+03
    or (segid "    " and resid    3 and name   HN) (segid "    " and resid    2 and name   HA)
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name   HB) 2.778 0.965 0.965 weight 1.000 ! spec=noesy_300ms, no=21, id=21, vol=1.079472e+03
    or (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name   HB)
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name  HB1) 3.551 1.576 1.576 weight 1.000 ! spec=noesy_300ms, no=28, id=28, vol=2.477839e+02
    or (segid "    " and resid   10 and name   HN) (segid "    " and resid   10 and name  HB2)
assign (segid "    " and resid    6 and name   HB) (segid "    " and resid    6 and name HG21) 2.916 1.063 1.063 weight 1.000 ! spec=noesy_300ms, no=43, id=42, vol=8.076169e+02
    or (segid "    " and resid    6 and name   HB) (segid "    " and resid    6 and name HG22)
    or (segid "    " and resid    6 and name   HB) (segid "    " and resid    6 and name HG23)
    or (segid "    " and resid    5 and name   HB) (segid "    " and resid    5 and name HG21)
    or (segid "    " and resid    5 and name   HB) (segid "    " and resid    5 and name HG22)
    or (segid "    " and resid    5 and name   HB) (segid "    " and resid    5 and name HG23)
assign (segid "    " and resid    4 and name  HD2) (segid "    " and resid    3 and name   HA) 2.212 0.611 0.611 weight 1.000 ! spec=noesy_300ms, no=46, id=45, vol=4.242001e+03
    or (segid "    " and resid    7 and name  HD2) (segid "    " and resid    6 and name   HA)
assign (segid "    " and resid    7 and name  HD1) (segid "    " and resid    7 and name  HG2) 3.182 1.266 1.266 weight 1.000 ! spec=noesy_300ms, no=50, id=46, vol=4.784346e+02
    or (segid "    " and resid   11 and name  HD2) (segid "    " and resid   11 and name  HG2)
assign (segid "    " and resid    2 and name  HB1) (segid "    " and resid    2 and name   HA) 2.476 0.766 0.766 weight 1.000 ! spec=noesy_300ms, no=60, id=52, vol=2.154293e+03
    or (segid "    " and resid    4 and name  HB2) (segid "    " and resid    4 and name   HA)
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    7 and name  HG2) 2.185 0.597 0.597 weight 1.000 ! spec=noesy_300ms, no=64, id=54, vol=4.566457e+03
    or (segid "    " and resid    4 and name  HB2) (segid "    " and resid   11 and name  HG2)
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    3 and name   HA) 2.580 0.832 0.832 weight 1.000 ! spec=noesy_300ms, no=67, id=57, vol=1.683139e+03
    or (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name   HA)
    or (segid "    " and resid    7 and name  HG2) (segid "    " and resid    6 and name   HA)
    or (segid "    " and resid    7 and name  HG1) (segid "    " and resid    6 and name   HA)
    or (segid "    " and resid   11 and name  HG2) (segid "    " and resid    4 and name   HA)
    or (segid "    " and resid   11 and name  HG2) (segid "    " and resid   11 and name   HA)
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid   11 and name  HG2) 2.130 0.567 0.567 weight 1.000 ! spec=noesy_300ms, no=69, id=59, vol=5.309807e+03
    or (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name  HB2)
assign (segid "    " and resid   11 and name  HB2) (segid "    " and resid   11 and name  HG2) 2.234 0.624 0.624 weight 1.000 ! spec=noesy_300ms, no=70, id=60, vol=3.995469e+03
    or (segid "    " and resid    3 and name  HB2) (segid "    " and resid    7 and name  HG2)
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name  HG2) 3.312 1.371 1.371 weight 1.000 ! spec=noesy_300ms, no=74, id=63, vol=3.760891e+02
    or (segid "    " and resid    3 and name  HG2) (segid "    " and resid    6 and name   HN)
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    2 and name   HA) 4.164 2.167 2.167 weight 1.000 ! spec=noesy_300ms, no=0, id=0, vol=9.525598e+01
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    1 and name   HA) 2.745 0.942 0.942 weight 1.000 ! spec=noesy_300ms, no=1, id=1, vol=1.160118e+03
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid   15 and name   HA) 2.347 0.688 0.688 weight 1.000 ! spec=noesy_300ms, no=3, id=3, vol=2.972429e+03
assign (segid "    " and resid   12 and name   HN) (segid "    " and resid   13 and name   HA) 2.803 1.003 3.197 weight 1.000 ! spec=noesy_300ms, no=5, id=5, vol=1.023647e+03
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name HG21) 2.478 0.767 0.767 weight 1.000 ! spec=noesy_300ms, no=6, id=6, vol=2.145841e+03
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    6 and name HG21) 2.349 0.690 0.690 weight 1.000 ! spec=noesy_300ms, no=7, id=7, vol=2.952132e+03
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    3 and name  HG2) 2.825 0.997 0.997 weight 1.000 ! spec=noesy_300ms, no=8, id=8, vol=9.775608e+02
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    3 and name  HB2) 3.441 1.480 1.480 weight 1.000 ! spec=noesy_300ms, no=10, id=10, vol=2.990211e+02
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid   14 and name  HA2) 2.307 0.665 0.665 weight 1.000 ! spec=noesy_300ms, no=12, id=12, vol=3.294418e+03
assign (segid "    " and resid   14 and name   HN) (segid "    " and resid    7 and name   HA) 2.182 0.382 3.818 weight 1.000 ! spec=noesy_300ms, no=13, id=13, vol=4.596512e+03
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name   HA) 2.051 0.526 0.526 weight 1.000 ! spec=noesy_300ms, no=14, id=14, vol=6.662370e+03
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    5 and name   HB) 3.295 1.357 1.357 weight 1.000 ! spec=noesy_300ms, no=15, id=15, vol=3.882345e+02
assign (segid "    " and resid    6 and name   HN) (segid "    " and resid    5 and name   HA) 2.131 0.568 0.568 weight 1.000 ! spec=noesy_300ms, no=20, id=20, vol=5.301626e+03
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name  HG1) 2.632 0.866 0.866 weight 1.000 ! spec=noesy_300ms, no=22, id=22, vol=1.494044e+03
assign (segid "    " and resid    3 and name   HN) (segid "    " and resid    3 and name  HG2) 3.254 1.324 1.324 weight 1.000 ! spec=noesy_300ms, no=23, id=23, vol=4.180225e+02
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   13 and name   HB) 3.053 1.165 1.165 weight 1.000 ! spec=noesy_300ms, no=24, id=24, vol=6.136197e+02
assign (segid "    " and resid   13 and name   HN) (segid "    " and resid   14 and name  HA2) 2.753 0.953 3.247 weight 1.000 ! spec=noesy_300ms, no=25, id=25, vol=1.140197e+03
assign (segid "    " and resid    1 and name  HT3) (segid "    " and resid    5 and name   HA) 3.690 1.702 1.702 weight 1.000 ! spec=noesy_300ms, no=26, id=26, vol=1.965813e+02
assign (segid "    " and resid   10 and name   HN) (segid "    " and resid    9 and name  HB2) 4.000 2.000 2.000 weight 1.000 ! spec=noesy_300ms, no=27, id=27, vol=1.212351e+02
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid   14 and name  HA2) 2.631 0.865 0.865 weight 1.000 ! spec=noesy_300ms, no=32, id=32, vol=1.497984e+03
assign (segid "    " and resid    5 and name   HA) (segid "    " and resid    5 and name   HN) 3.793 1.799 1.799 weight 1.000 ! spec=noesy_300ms, no=33, id=33, vol=1.666771e+02
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name   HN) 3.400 1.445 1.445 weight 1.000 ! spec=noesy_300ms, no=36, id=36, vol=3.213223e+02
assign (segid "    " and resid    8 and name  HA2) (segid "    " and resid   15 and name   HN) 3.350 1.403 1.403 weight 1.000 ! spec=noesy_300ms, no=38, id=38, vol=3.512018e+02
assign (segid "    " and resid    8 and name   HN) (segid "    " and resid    8 and name  HA2) 2.703 0.913 0.913 weight 1.000 ! spec=noesy_300ms, no=39, id=39, vol=1.272619e+03
assign (segid "    " and resid   12 and name  HA2) (segid "    " and resid   12 and name   HN) 3.739 1.747 1.747 weight 1.000 ! spec=noesy_300ms, no=40, id=40, vol=1.818241e+02
assign (segid "    " and resid    5 and name   HB) (segid "    " and resid    5 and name HG21) 2.679 0.897 0.897 weight 1.000 ! spec=noesy_300ms, no=41, id=41, vol=1.343096e+03
    or (segid "    " and resid    5 and name   HB) (segid "    " and resid    5 and name HG22)
    or (segid "    " and resid    5 and name   HB) (segid "    " and resid    5 and name HG23)
assign (segid "    " and resid   13 and name   HA) (segid "    " and resid   13 and name   HB) 3.853 1.855 1.855 weight 1.000 ! spec=noesy_300ms, no=44, id=43, vol=1.517876e+02
assign (segid "    " and resid    7 and name  HD1) (segid "    " and resid    6 and name   HA) 2.903 1.053 1.053 weight 1.000 ! spec=noesy_300ms, no=45, id=44, vol=8.302312e+02
assign (segid "    " and resid   15 and name  HB1) (segid "    " and resid   15 and name  HB2) 1.679 0.352 0.352 weight 1.000 ! spec=noesy_300ms, no=52, id=47, vol=2.217165e+04
assign (segid "    " and resid    2 and name   HN) (segid "    " and resid    2 and name  HB2) 3.178 1.262 1.262 weight 1.000 ! spec=noesy_300ms, no=56, id=48, vol=4.818916e+02
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HB2) 3.197 1.277 1.277 weight 1.000 ! spec=noesy_300ms, no=57, id=49, vol=4.652965e+02
assign (segid "    " and resid    9 and name   HN) (segid "    " and resid    9 and name  HB1) 2.863 1.025 1.025 weight 1.000 ! spec=noesy_300ms, no=58, id=50, vol=9.017086e+02
assign (segid "    " and resid    5 and name   HN) (segid "    " and resid    4 and name  HB2) 3.204 1.283 1.283 weight 1.000 ! spec=noesy_300ms, no=59, id=51, vol=4.589437e+02
assign (segid "    " and resid    4 and name  HB2) (segid "    " and resid   11 and name  HG2) 2.093 0.547 0.547 weight 1.000 ! spec=noesy_300ms, no=62, id=53, vol=5.910746e+03
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HG1) 3.019 1.139 1.139 weight 1.000 ! spec=noesy_300ms, no=65, id=55, vol=6.558028e+02
assign (segid "    " and resid    3 and name  HB2) (segid "    " and resid    3 and name  HG2) 2.068 0.535 0.535 weight 1.000 ! spec=noesy_300ms, no=66, id=56, vol=6.346321e+03
assign (segid "    " and resid    7 and name  HG2) (segid "    " and resid    3 and name  HG2) 2.374 0.705 0.705 weight 1.000 ! spec=noesy_300ms, no=72, id=61, vol=2.769851e+03
assign (segid "    " and resid    7 and name  HG2) (segid "    " and resid   15 and name   HN) 3.017 1.138 1.138 weight 1.000 ! spec=noesy_300ms, no=73, id=62, vol=6.582287e+02
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    3 and name  HG1) 1.987 0.493 0.493 weight 1.000 ! spec=noesy_300ms, no=77, id=66, vol=8.071985e+03
assign (segid "    " and resid    3 and name  HG2) (segid "    " and resid    7 and name  HD1) 3.691 1.703 1.703 weight 1.000 ! spec=noesy_300ms, no=79, id=68, vol=1.963229e+02
assign (segid "    " and resid    7 and name  HB1) (segid "    " and resid    7 and name   HA) 3.821 1.825 1.825 weight 1.000 ! spec=noesy_300ms, no=80, id=69, vol=1.595237e+02
assign (segid "    " and resid    4 and name  HG2) (segid "    " and resid    4 and name  HD2) 4.139 2.141 2.141 weight 1.000 ! spec=noesy_300ms, no=81, id=70, vol=9.877696e+01
assign (segid "    " and resid    3 and name  HG1) (segid "    " and resid    7 and name  HB2) 3.530 1.557 1.557 weight 1.000 ! spec=noesy_300ms, no=83, id=72, vol=2.567265e+02

  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   ALA   1           HT1      ALA   1   9.685   1.985   1.895
    2    H2   ALA   1           HT2      ALA   1   8.721   0.614   1.671
    3    H3   ALA   1           HT3      ALA   1   8.148   2.136   1.215
    4    HA   ALA   1           HA       ALA   1   9.783   2.330  -0.492
    5    HB1  ALA   1           HB1      ALA   1  11.545   1.072   0.687
    6    HB2  ALA   1           HB2      ALA   1  11.333   0.546  -0.983
    7    HB3  ALA   1           HB3      ALA   1  10.681  -0.425   0.337
    8    H    PHE   2           HN       PHE   2   8.613  -0.988   0.160
    9    HA   PHE   2           HA       PHE   2   7.718  -1.288  -2.536
   10    HB2  PHE   2           HB2      PHE   2   7.345  -3.003  -0.082
   11    HB3  PHE   2           HB1      PHE   2   6.749  -3.450  -1.676
   12    HD1  PHE   2           HD1      PHE   2   8.304  -4.008  -3.472
   13    HD2  PHE   2           HD2      PHE   2   9.681  -3.117   0.453
   14    HE1  PHE   2           HE1      PHE   2  10.489  -4.998  -4.016
   15    HE2  PHE   2           HE2      PHE   2  11.869  -4.102  -0.084
   16    HZ   PHE   2           HZ       PHE   2  12.274  -5.045  -2.321
   17    H    GLN   3           HN       GLN   3   6.134  -0.591   0.536
   18    HA   GLN   3           HA       GLN   3   3.532  -0.601  -0.750
   19    HB2  GLN   3           HB2      GLN   3   2.586  -0.198   1.419
   20    HB3  GLN   3           HB1      GLN   3   3.803  -1.448   1.585
   21    HG2  GLN   3           HG2      GLN   3   4.301   1.445   2.231
   22    HG3  GLN   3           HG1      GLN   3   3.740   0.267   3.409
   23   HE21  GLN   3          HE21      GLN   3   5.141  -1.314   4.140
   24   HE22  GLN   3          HE22      GLN   3   6.849  -1.230   3.880
   25    HA   HZP   4           HA       HZP   4   3.693   3.724  -1.814
   26    HB   HZP   4           HB2      HZP   4   0.994   4.049  -2.214
   27    HBA  HZP   4           HB1      HZP   4   2.077   3.288  -3.397
   28    HG   HZP   4           HG1      HZP   4   0.556   1.561  -3.090
   29    HD   HZP   4           HD3      HZP   4   2.540   0.489  -2.612
   30    HDA  HZP   4           HD2      HZP   4   1.693   0.228  -1.072
   31   HOD1  HZP   4          HG2       HZP   4  -0.689   1.390  -1.344
   32    H    THR   5           HN       THR   5   3.813   3.168   0.886
   33    HA   THR   5           HA       THR   5   3.524   4.003   2.943
   34    HB   THR   5           HB       THR   5   3.321   6.447   3.161
   35    HG1  THR   5           HG1      THR   5   2.276   6.183   0.619
   36   HG21  THR   5          HG21      THR   5   5.479   5.383   2.588
   37   HG22  THR   5          HG22      THR   5   5.333   7.019   1.948
   38   HG23  THR   5          HG23      THR   5   5.119   5.632   0.879
   39    H    THR   6           HN       THR   6   1.092   3.089   1.472
   40    HA   THR   6           HA       THR   6  -0.791   3.844   3.558
   41    HB   THR   6           HB       THR   6  -2.607   3.948   1.770
   42    HG1  THR   6           HG1      THR   6  -0.368   4.406   0.056
   43   HG21  THR   6          HG21      THR   6  -0.401   5.992   1.800
   44   HG22  THR   6          HG22      THR   6  -1.826   5.961   2.848
   45   HG23  THR   6          HG23      THR   6  -2.006   6.280   1.120
   46    HA   PRO   7           HA       PRO   7  -0.412  -0.714   2.741
   47    HB2  PRO   7           HB2      PRO   7  -0.378  -0.873   5.674
   48    HB3  PRO   7           HB1      PRO   7   0.795  -1.489   4.505
   49    HG2  PRO   7           HG2      PRO   7   1.370   0.601   6.083
   50    HG3  PRO   7           HG1      PRO   7   1.953   0.515   4.408
   51    HD2  PRO   7           HD2      PRO   7  -0.399   2.018   5.511
   52    HD3  PRO   7           HD1      PRO   7   0.863   2.574   4.386
   53    H    GLY   8           HN       GLY   8  -1.832  -2.499   3.417
   54    HA2  GLY   8           HA2      GLY   8  -3.892  -3.353   4.051
   55    HA3  GLY   8           HA1      GLY   8  -4.301  -1.791   4.747
   56    H    ASN   9           HN       ASN   9  -3.163  -2.201   1.494
   57    HA   ASN   9           HA       ASN   9  -3.985  -1.419  -0.474
   58    HB2  ASN   9           HB2      ASN   9  -5.891  -2.735  -1.322
   59    HB3  ASN   9           HB1      ASN   9  -4.661  -3.726  -0.559
   60   HD21  ASN   9          HD21      ASN   9  -5.142  -4.823   1.313
   61   HD22  ASN   9          HD22      ASN   9  -6.761  -5.021   1.889
   62    H    SER  10           HN       SER  10  -4.538   0.505   1.407
   63    HA   SER  10           HA       SER  10  -7.212   1.328   1.474
   64    HB2  SER  10           HB2      SER  10  -4.783   3.128   1.584
   65    HB3  SER  10           HB1      SER  10  -6.387   3.463   2.230
   66    HG   SER  10           HG       SER  10  -4.451   2.419   3.544
   67    HA   HZP  11           HA       HZP  11  -6.617   3.544  -2.637
   68    HB   HZP  11           HB2      HZP  11  -4.067   3.789  -3.691
   69    HBA  HZP  11           HB1      HZP  11  -4.806   4.955  -2.580
   70    HG   HZP  11           HG1      HZP  11  -3.373   4.384  -0.946
   71    HD   HZP  11           HD3      HZP  11  -3.871   2.452   0.165
   72    HDA  HZP  11           HD2      HZP  11  -3.684   1.455  -1.294
   73   HOD1  HZP  11          HG2       HZP  11  -1.540   3.451  -1.577
   74    H    GLY  12           HN       GLY  12  -6.241   0.545  -2.167
   75    HA2  GLY  12           HA2      GLY  12  -6.826  -1.115  -3.762
   76    HA3  GLY  12           HA1      GLY  12  -6.048  -0.153  -5.011
   77    H    VAL  13           HN       VAL  13  -3.580   0.307  -3.997
   78    HA   VAL  13           HA       VAL  13  -2.473  -2.412  -3.819
   79    HB   VAL  13           HB       VAL  13  -1.091   0.110  -4.763
   80   HG11  VAL  13          HG11      VAL  13   0.667  -1.402  -5.548
   81   HG12  VAL  13          HG12      VAL  13  -0.201  -2.770  -4.852
   82   HG13  VAL  13          HG13      VAL  13   0.452  -1.514  -3.802
   83   HG21  VAL  13          HG21      VAL  13  -1.241  -0.871  -7.009
   84   HG22  VAL  13          HG22      VAL  13  -2.832  -0.549  -6.323
   85   HG23  VAL  13          HG23      VAL  13  -2.204  -2.195  -6.358
   86    H    GLY  14           HN       GLY  14  -1.268  -2.971  -2.096
   87    HA2  GLY  14           HA2      GLY  14   0.376  -1.384  -0.564
   88    HA3  GLY  14           HA1      GLY  14  -1.210  -1.261   0.186
   89    H    HIS  15           HN       HIS  15   0.268  -2.265   1.928
   90    HA   HIS  15           HA       HIS  15  -0.504  -4.998   2.165
   91    HB2  HIS  15           HB2      HIS  15   1.550  -5.208   0.762
   92    HB3  HIS  15           HB1      HIS  15   2.465  -4.404   2.030
   93    HD1  HIS  15           HD1      HIS  15   0.507  -7.586   1.435
   94    HD2  HIS  15           HD2      HIS  15   3.409  -6.064   3.990
   95    HE1  HIS  15           HE1      HIS  15   1.273  -9.537   2.822
   96    HE2  HIS  15           HE2      HIS  15   3.164  -8.629   4.216
  Start of MODEL    2
    1    H1   ALA   1           HT1      ALA   1   8.283   2.521   1.520
    2    H2   ALA   1           HT2      ALA   1   7.629   0.995   1.201
    3    H3   ALA   1           HT3      ALA   1   6.773   2.386   0.773
    4    HA   ALA   1           HA       ALA   1   8.403   2.979  -0.850
    5    HB1  ALA   1           HB1      ALA   1   9.807   0.447  -0.020
    6    HB2  ALA   1           HB2      ALA   1  10.354   2.089   0.316
    7    HB3  ALA   1           HB3      ALA   1  10.277   1.508  -1.344
    8    H    PHE   2           HN       PHE   2   8.053  -0.561  -0.475
    9    HA   PHE   2           HA       PHE   2   7.209  -0.931  -3.153
   10    HB2  PHE   2           HB2      PHE   2   6.918  -2.746  -0.750
   11    HB3  PHE   2           HB1      PHE   2   6.606  -3.230  -2.412
   12    HD1  PHE   2           HD1      PHE   2   8.484  -3.285  -4.042
   13    HD2  PHE   2           HD2      PHE   2   9.105  -2.670   0.120
   14    HE1  PHE   2           HE1      PHE   2  10.855  -3.877  -4.314
   15    HE2  PHE   2           HE2      PHE   2  11.479  -3.261  -0.142
   16    HZ   PHE   2           HZ       PHE   2  12.354  -3.880  -2.364
   17    H    GLN   3           HN       GLN   3   5.481  -0.711  -0.092
   18    HA   GLN   3           HA       GLN   3   2.923  -0.737  -1.463
   19    HB2  GLN   3           HB2      GLN   3   1.954  -0.674   0.797
   20    HB3  GLN   3           HB1      GLN   3   3.088  -2.000   0.617
   21    HG2  GLN   3           HG2      GLN   3   3.646   0.615   2.005
   22    HG3  GLN   3           HG1      GLN   3   3.256  -0.908   2.784
   23   HE21  GLN   3          HE21      GLN   3   4.792  -2.553   2.849
   24   HE22  GLN   3          HE22      GLN   3   6.464  -2.243   2.537
   25    HA   HZP   4           HA       HZP   4   3.162   3.693  -1.693
   26    HB   HZP   4           HB2      HZP   4   0.740   4.101  -2.876
   27    HBA  HZP   4           HB1      HZP   4   2.163   3.521  -3.759
   28    HG   HZP   4           HG1      HZP   4   0.796   1.778  -4.273
   29    HD   HZP   4           HD3      HZP   4   2.206   0.377  -3.142
   30    HDA  HZP   4           HD2      HZP   4   0.934   0.290  -1.909
   31   HOD1  HZP   4          HG2       HZP   4  -0.635   1.478  -1.958
   32    H    THR   5           HN       THR   5   3.013   3.499   0.693
   33    HA   THR   5           HA       THR   5   2.272   4.169   2.693
   34    HB   THR   5           HB       THR   5   0.709   6.037   2.867
   35    HG1  THR   5           HG1      THR   5  -0.124   5.135   0.442
   36   HG21  THR   5          HG21      THR   5   3.080   6.406   2.227
   37   HG22  THR   5          HG22      THR   5   1.990   7.664   1.644
   38   HG23  THR   5          HG23      THR   5   2.582   6.426   0.536
   39    H    THR   6           HN       THR   6   0.472   4.169   4.240
   40    HA   THR   6           HA       THR   6  -1.047   2.927   5.369
   41    HB   THR   6           HB       THR   6  -3.309   2.800   4.170
   42    HG1  THR   6           HG1      THR   6  -1.878   3.241   2.071
   43   HG21  THR   6          HG21      THR   6  -1.902   5.448   4.514
   44   HG22  THR   6          HG22      THR   6  -2.767   4.551   5.762
   45   HG23  THR   6          HG23      THR   6  -3.647   5.236   4.395
   46    HA   PRO   7           HA       PRO   7  -0.016  -1.132   3.226
   47    HB2  PRO   7           HB2      PRO   7   0.812  -1.634   6.043
   48    HB3  PRO   7           HB1      PRO   7   1.615  -2.092   4.535
   49    HG2  PRO   7           HG2      PRO   7   2.594  -0.099   5.959
   50    HG3  PRO   7           HG1      PRO   7   2.466   0.056   4.191
   51    HD2  PRO   7           HD2      PRO   7   0.648   1.164   6.314
   52    HD3  PRO   7           HD1      PRO   7   1.320   1.973   4.880
   53    H    GLY   8           HN       GLY   8  -1.782  -2.288   2.988
   54    HA2  GLY   8           HA2      GLY   8  -3.178  -3.969   4.226
   55    HA3  GLY   8           HA1      GLY   8  -3.594  -2.625   5.283
   56    H    ASN   9           HN       ASN   9  -3.713  -0.661   3.216
   57    HA   ASN   9           HA       ASN   9  -5.433  -1.417   1.102
   58    HB2  ASN   9           HB2      ASN   9  -7.071  -1.665   2.951
   59    HB3  ASN   9           HB1      ASN   9  -6.791   0.012   3.404
   60   HD21  ASN   9          HD21      ASN   9  -7.682   1.649   2.181
   61   HD22  ASN   9          HD22      ASN   9  -8.841   1.362   0.926
   62    H    SER  10           HN       SER  10  -4.527  -0.105  -0.325
   63    HA   SER  10           HA       SER  10  -4.556   2.774   0.191
   64    HB2  SER  10           HB2      SER  10  -2.228   2.910  -0.822
   65    HB3  SER  10           HB1      SER  10  -2.303   2.199   0.788
   66    HG   SER  10           HG       SER  10  -2.358   0.126  -0.324
   67    HA   HZP  11           HA       HZP  11  -5.820   3.531  -4.037
   68    HB   HZP  11           HB2      HZP  11  -3.322   4.574  -5.012
   69    HBA  HZP  11           HB1      HZP  11  -4.773   5.478  -4.547
   70    HG   HZP  11           HG1      HZP  11  -3.460   6.281  -2.864
   71    HD   HZP  11           HD3      HZP  11  -4.935   5.071  -1.527
   72    HDA  HZP  11           HD2      HZP  11  -3.385   4.368  -1.012
   73   HOD1  HZP  11          HG2       HZP  11  -1.476   5.510  -2.529
   74    H    GLY  12           HN       GLY  12  -2.381   2.536  -4.027
   75    HA2  GLY  12           HA2      GLY  12  -2.623   0.975  -6.399
   76    HA3  GLY  12           HA1      GLY  12  -1.289   0.919  -5.254
   77    H    VAL  13           HN       VAL  13  -1.852  -0.174  -3.138
   78    HA   VAL  13           HA       VAL  13  -4.019  -1.978  -3.020
   79    HB   VAL  13           HB       VAL  13  -2.875  -3.357  -4.583
   80   HG11  VAL  13          HG11      VAL  13  -0.605  -4.070  -4.441
   81   HG12  VAL  13          HG12      VAL  13  -0.400  -3.289  -2.877
   82   HG13  VAL  13          HG13      VAL  13  -0.634  -2.311  -4.325
   83   HG21  VAL  13          HG21      VAL  13  -2.391  -4.417  -1.805
   84   HG22  VAL  13          HG22      VAL  13  -2.405  -5.387  -3.280
   85   HG23  VAL  13          HG23      VAL  13  -3.874  -4.568  -2.748
   86    H    GLY  14           HN       GLY  14  -0.621  -2.062  -1.829
   87    HA2  GLY  14           HA2      GLY  14   0.166  -1.556   0.287
   88    HA3  GLY  14           HA1      GLY  14  -1.462  -1.075   0.743
   89    H    HIS  15           HN       HIS  15   0.814  -2.994   1.742
   90    HA   HIS  15           HA       HIS  15  -0.968  -4.866   2.970
   91    HB2  HIS  15           HB2      HIS  15  -0.530  -5.857   0.675
   92    HB3  HIS  15           HB1      HIS  15   1.156  -6.021   1.154
   93    HD1  HIS  15           HD1      HIS  15   1.766  -8.068   2.475
   94    HD2  HIS  15           HD2      HIS  15  -2.340  -7.472   2.246
   95    HE1  HIS  15           HE1      HIS  15   0.726 -10.133   3.458
   96    HE2  HIS  15           HE2      HIS  15  -1.746  -9.838   3.095
  Start of MODEL    3
    1    H1   ALA   1           HT1      ALA   1   5.658   3.160   0.742
    2    H2   ALA   1           HT2      ALA   1   6.312   3.449   2.276
    3    H3   ALA   1           HT3      ALA   1   6.311   1.882   1.641
    4    HA   ALA   1           HA       ALA   1   7.807   4.190   0.547
    5    HB1  ALA   1           HB1      ALA   1   9.807   3.061   1.334
    6    HB2  ALA   1           HB2      ALA   1   8.830   1.756   2.005
    7    HB3  ALA   1           HB3      ALA   1   8.715   3.381   2.681
    8    H    PHE   2           HN       PHE   2   8.332   0.681   0.554
    9    HA   PHE   2           HA       PHE   2   8.926   0.593  -2.227
   10    HB2  PHE   2           HB2      PHE   2   8.166  -1.702  -0.402
   11    HB3  PHE   2           HB1      PHE   2   9.004  -1.827  -1.943
   12    HD1  PHE   2           HD1      PHE   2  11.342  -1.215  -2.142
   13    HD2  PHE   2           HD2      PHE   2   9.314  -0.998   1.591
   14    HE1  PHE   2           HE1      PHE   2  13.505  -1.046  -0.981
   15    HE2  PHE   2           HE2      PHE   2  11.471  -0.829   2.756
   16    HZ   PHE   2           HZ       PHE   2  13.570  -0.890   1.478
   17    H    GLN   3           HN       GLN   3   6.171  -0.132  -0.239
   18    HA   GLN   3           HA       GLN   3   4.477  -0.702  -2.538
   19    HB2  GLN   3           HB2      GLN   3   2.824  -1.360  -0.834
   20    HB3  GLN   3           HB1      GLN   3   4.341  -2.213  -0.615
   21    HG2  GLN   3           HG2      GLN   3   3.527   0.214   0.965
   22    HG3  GLN   3           HG1      GLN   3   3.260  -1.441   1.473
   23   HE21  GLN   3          HE21      GLN   3   5.012  -2.725   2.062
   24   HE22  GLN   3          HE22      GLN   3   6.531  -2.027   2.508
   25    HA   HZP   4           HA       HZP   4   2.603   3.332  -2.567
   26    HB   HZP   4           HB2      HZP   4  -0.052   2.688  -2.914
   27    HBA  HZP   4           HB1      HZP   4   1.151   2.671  -4.219
   28    HG   HZP   4           HG1      HZP   4   0.409   0.489  -4.355
   29    HD   HZP   4           HD3      HZP   4   2.701   0.176  -4.054
   30    HDA  HZP   4           HD2      HZP   4   2.109  -0.724  -2.643
   31   HOD1  HZP   4          HG2       HZP   4   0.378  -0.208  -1.712
   32    H    THR   5           HN       THR   5   3.166   3.523  -0.312
   33    HA   THR   5           HA       THR   5   2.815   4.208   1.782
   34    HB   THR   5           HB       THR   5   0.661   5.240   2.407
   35    HG1  THR   5           HG1      THR   5  -0.229   3.805   0.249
   36   HG21  THR   5          HG21      THR   5   1.680   6.011  -0.323
   37   HG22  THR   5          HG22      THR   5   2.346   6.538   1.222
   38   HG23  THR   5          HG23      THR   5   0.722   7.035   0.746
   39    H    THR   6           HN       THR   6   0.915   3.954   3.664
   40    HA   THR   6           HA       THR   6   1.414   1.525   4.796
   41    HB   THR   6           HB       THR   6   0.631   3.276   6.172
   42    HG1  THR   6           HG1      THR   6  -0.173   1.048   6.639
   43   HG21  THR   6          HG21      THR   6  -1.914   3.262   4.554
   44   HG22  THR   6          HG22      THR   6  -0.678   4.520   4.561
   45   HG23  THR   6          HG23      THR   6  -1.638   4.220   6.008
   46    HA   PRO   7           HA       PRO   7  -1.026  -1.322   2.273
   47    HB2  PRO   7           HB2      PRO   7  -0.047  -3.073   4.479
   48    HB3  PRO   7           HB1      PRO   7  -0.033  -3.347   2.732
   49    HG2  PRO   7           HG2      PRO   7   2.209  -2.690   3.945
   50    HG3  PRO   7           HG1      PRO   7   1.785  -1.924   2.398
   51    HD2  PRO   7           HD2      PRO   7   1.536  -0.823   5.179
   52    HD3  PRO   7           HD1      PRO   7   2.134  -0.031   3.706
   53    H    GLY   8           HN       GLY   8  -2.872  -2.604   2.603
   54    HA2  GLY   8           HA2      GLY   8  -4.693  -3.418   3.881
   55    HA3  GLY   8           HA1      GLY   8  -4.231  -2.332   5.183
   56    H    ASN   9           HN       ASN   9  -3.932  -0.013   3.625
   57    HA   ASN   9           HA       ASN   9  -6.660   0.495   2.663
   58    HB2  ASN   9           HB2      ASN   9  -6.646   2.664   3.891
   59    HB3  ASN   9           HB1      ASN   9  -6.628   1.269   4.964
   60   HD21  ASN   9          HD21      ASN   9  -4.751   0.794   6.127
   61   HD22  ASN   9          HD22      ASN   9  -3.495   1.964   6.346
   62    H    SER  10           HN       SER  10  -4.047   0.081   1.402
   63    HA   SER  10           HA       SER  10  -3.032   2.608   0.541
   64    HB2  SER  10           HB2      SER  10  -2.503   0.006  -0.852
   65    HB3  SER  10           HB1      SER  10  -1.410   1.364  -0.582
   66    HG   SER  10           HG       SER  10  -1.547   0.814   1.700
   67    HA   HZP  11           HA       HZP  11  -5.622   2.957  -3.076
   68    HB   HZP  11           HB2      HZP  11  -4.234   4.969  -4.308
   69    HBA  HZP  11           HB1      HZP  11  -5.294   5.226  -2.912
   70    HG   HZP  11           HG1      HZP  11  -3.480   5.958  -1.801
   71    HD   HZP  11           HD3      HZP  11  -2.898   4.216  -0.515
   72    HDA  HZP  11           HD2      HZP  11  -1.885   3.564  -1.817
   73   HOD1  HZP  11          HG2       HZP  11  -1.329   5.013  -2.969
   74    H    GLY  12           HN       GLY  12  -4.572   0.719  -3.596
   75    HA2  GLY  12           HA2      GLY  12  -4.136   0.423  -6.243
   76    HA3  GLY  12           HA1      GLY  12  -2.524   0.778  -5.641
   77    H    VAL  13           HN       VAL  13  -1.934  -0.592  -3.637
   78    HA   VAL  13           HA       VAL  13  -2.519  -3.377  -4.332
   79    HB   VAL  13           HB       VAL  13  -0.364  -2.229  -2.546
   80   HG11  VAL  13          HG11      VAL  13  -1.027  -4.487  -1.864
   81   HG12  VAL  13          HG12      VAL  13   0.595  -4.469  -2.554
   82   HG13  VAL  13          HG13      VAL  13  -0.762  -5.058  -3.511
   83   HG21  VAL  13          HG21      VAL  13  -0.040  -1.682  -4.903
   84   HG22  VAL  13          HG22      VAL  13  -0.207  -3.385  -5.327
   85   HG23  VAL  13          HG23      VAL  13   1.162  -2.850  -4.355
   86    H    GLY  14           HN       GLY  14  -1.819  -1.746  -1.226
   87    HA2  GLY  14           HA2      GLY  14  -3.032  -1.668   0.727
   88    HA3  GLY  14           HA1      GLY  14  -4.440  -2.123  -0.216
   89    H    HIS  15           HN       HIS  15  -1.404  -3.836   0.466
   90    HA   HIS  15           HA       HIS  15  -2.688  -5.627   2.295
   91    HB2  HIS  15           HB2      HIS  15  -3.444  -6.620   0.171
   92    HB3  HIS  15           HB1      HIS  15  -1.774  -6.726  -0.376
   93    HD1  HIS  15           HD1      HIS  15  -4.162  -8.255   2.102
   94    HD2  HIS  15           HD2      HIS  15  -0.349  -8.912   0.583
   95    HE1  HIS  15           HE1      HIS  15  -3.471 -10.513   2.963
   96    HE2  HIS  15           HE2      HIS  15  -1.188 -10.918   1.980
  Start of MODEL    4
    1    H1   ALA   1           HT1      ALA   1   8.427   2.290   0.698
    2    H2   ALA   1           HT2      ALA   1   8.937   2.101   2.300
    3    H3   ALA   1           HT3      ALA   1   7.548   1.304   1.756
    4    HA   ALA   1           HA       ALA   1  10.312   0.812   0.828
    5    HB1  ALA   1           HB1      ALA   1   8.498  -0.902   2.521
    6    HB2  ALA   1           HB2      ALA   1   9.907  -0.011   3.095
    7    HB3  ALA   1           HB3      ALA   1  10.110  -1.340   1.954
    8    H    PHE   2           HN       PHE   2   7.259  -1.027   0.996
    9    HA   PHE   2           HA       PHE   2   7.341  -1.264  -1.939
   10    HB2  PHE   2           HB2      PHE   2   6.731  -3.481   0.030
   11    HB3  PHE   2           HB1      PHE   2   6.522  -3.603  -1.712
   12    HD1  PHE   2           HD1      PHE   2   8.604  -3.247  -3.167
   13    HD2  PHE   2           HD2      PHE   2   8.758  -4.041   1.010
   14    HE1  PHE   2           HE1      PHE   2  10.935  -3.995  -3.395
   15    HE2  PHE   2           HE2      PHE   2  11.090  -4.786   0.788
   16    HZ   PHE   2           HZ       PHE   2  12.183  -4.763  -1.415
   17    H    GLN   3           HN       GLN   3   5.871   0.438  -0.027
   18    HA   GLN   3           HA       GLN   3   3.157  -0.252  -0.903
   19    HB2  GLN   3           HB2      GLN   3   2.209   0.250   1.179
   20    HB3  GLN   3           HB1      GLN   3   3.647  -0.662   1.605
   21    HG2  GLN   3           HG2      GLN   3   3.692   2.327   1.531
   22    HG3  GLN   3           HG1      GLN   3   3.061   1.476   2.928
   23   HE21  GLN   3          HE21      GLN   3   4.649   2.234   4.287
   24   HE22  GLN   3          HE22      GLN   3   6.294   1.706   4.194
   25    HA   HZP   4           HA       HZP   4   3.175   3.946  -2.393
   26    HB   HZP   4           HB2      HZP   4   0.494   4.358  -2.593
   27    HBA  HZP   4           HB1      HZP   4   1.380   3.300  -3.710
   28    HG   HZP   4           HG1      HZP   4  -0.213   1.806  -2.934
   29    HD   HZP   4           HD3      HZP   4   1.689   0.617  -2.442
   30    HDA  HZP   4           HD2      HZP   4   1.086   0.799  -0.781
   31   HOD1  HZP   4          HG2       HZP   4  -0.297   2.121  -0.299
   32    H    THR   5           HN       THR   5   3.850   4.040   0.133
   33    HA   THR   5           HA       THR   5   3.853   5.147   2.084
   34    HB   THR   5           HB       THR   5   3.016   7.470   2.141
   35    HG1  THR   5           HG1      THR   5   1.492   6.599   0.079
   36   HG21  THR   5          HG21      THR   5   5.220   6.855   1.132
   37   HG22  THR   5          HG22      THR   5   4.532   8.359   0.522
   38   HG23  THR   5          HG23      THR   5   4.441   6.892  -0.449
   39    H    THR   6           HN       THR   6   1.755   3.274   1.607
   40    HA   THR   6           HA       THR   6   0.399   3.396   3.994
   41    HB   THR   6           HB       THR   6  -0.876   5.285   3.258
   42    HG1  THR   6           HG1      THR   6  -2.058   3.619   4.345
   43   HG21  THR   6          HG21      THR   6  -0.565   5.097   0.848
   44   HG22  THR   6          HG22      THR   6  -2.275   5.268   1.244
   45   HG23  THR   6          HG23      THR   6  -1.623   3.688   0.810
   46    HA   PRO   7           HA       PRO   7  -0.086  -0.670   2.068
   47    HB2  PRO   7           HB2      PRO   7   0.249  -1.767   4.707
   48    HB3  PRO   7           HB1      PRO   7   1.353  -1.858   3.335
   49    HG2  PRO   7           HG2      PRO   7   1.877  -0.459   5.629
   50    HG3  PRO   7           HG1      PRO   7   2.588  -0.093   4.049
   51    HD2  PRO   7           HD2      PRO   7   0.282   1.221   5.442
   52    HD3  PRO   7           HD1      PRO   7   1.603   1.957   4.506
   53    H    GLY   8           HN       GLY   8  -1.327  -2.679   3.234
   54    HA2  GLY   8           HA2      GLY   8  -3.234  -3.429   4.345
   55    HA3  GLY   8           HA1      GLY   8  -3.678  -1.762   4.684
   56    H    ASN   9           HN       ASN   9  -2.901  -1.785   1.531
   57    HA   ASN   9           HA       ASN   9  -4.028  -1.708  -0.433
   58    HB2  ASN   9           HB2      ASN   9  -4.248  -4.164   0.026
   59    HB3  ASN   9           HB1      ASN   9  -5.807  -3.843   0.773
   60   HD21  ASN   9          HD21      ASN   9  -4.037  -4.049  -2.192
   61   HD22  ASN   9          HD22      ASN   9  -5.398  -3.961  -3.255
   62    H    SER  10           HN       SER  10  -4.659   0.446   0.447
   63    HA   SER  10           HA       SER  10  -7.567   0.581   0.816
   64    HB2  SER  10           HB2      SER  10  -5.531   2.617   1.748
   65    HB3  SER  10           HB1      SER  10  -7.265   2.654   2.047
   66    HG   SER  10           HG       SER  10  -6.864   0.498   3.058
   67    HA   HZP  11           HA       HZP  11  -6.797   3.928  -2.380
   68    HB   HZP  11           HB2      HZP  11  -4.412   4.948  -2.938
   69    HBA  HZP  11           HB1      HZP  11  -5.169   5.282  -1.366
   70    HG   HZP  11           HG1      HZP  11  -3.208   4.394  -0.562
   71    HD   HZP  11           HD3      HZP  11  -4.292   2.694   0.443
   72    HDA  HZP  11           HD2      HZP  11  -3.830   1.662  -0.924
   73   HOD1  HZP  11          HG2       HZP  11  -1.831   3.255  -1.800
   74    H    GLY  12           HN       GLY  12  -5.840   0.971  -2.713
   75    HA2  GLY  12           HA2      GLY  12  -6.200   0.328  -5.198
   76    HA3  GLY  12           HA1      GLY  12  -4.679   1.184  -5.399
   77    H    VAL  13           HN       VAL  13  -3.044   0.404  -3.536
   78    HA   VAL  13           HA       VAL  13  -3.170  -2.504  -3.274
   79    HB   VAL  13           HB       VAL  13  -1.950  -1.899  -5.412
   80   HG11  VAL  13          HG11      VAL  13  -0.810   0.096  -4.620
   81   HG12  VAL  13          HG12      VAL  13   0.340  -1.087  -5.239
   82   HG13  VAL  13          HG13      VAL  13   0.141  -0.877  -3.500
   83   HG21  VAL  13          HG21      VAL  13  -0.394  -3.399  -3.311
   84   HG22  VAL  13          HG22      VAL  13  -0.130  -3.498  -5.051
   85   HG23  VAL  13          HG23      VAL  13  -1.648  -4.064  -4.356
   86    H    GLY  14           HN       GLY  14  -1.437  -3.319  -1.790
   87    HA2  GLY  14           HA2      GLY  14   0.387  -2.166  -0.290
   88    HA3  GLY  14           HA1      GLY  14  -1.046  -1.401   0.383
   89    H    HIS  15           HN       HIS  15   0.816  -3.180   1.743
   90    HA   HIS  15           HA       HIS  15  -1.125  -5.047   2.792
   91    HB2  HIS  15           HB2      HIS  15  -0.062  -6.252   0.855
   92    HB3  HIS  15           HB1      HIS  15   1.482  -6.114   1.686
   93    HD1  HIS  15           HD1      HIS  15   1.868  -7.645   3.734
   94    HD2  HIS  15           HD2      HIS  15  -1.825  -8.157   1.900
   95    HE1  HIS  15           HE1      HIS  15   0.924  -9.763   4.696
   96    HE2  HIS  15           HE2      HIS  15  -1.227 -10.141   3.441
  Start of MODEL    5
    1    H1   ALA   1           HT1      ALA   1   7.786   3.921  -2.014
    2    H2   ALA   1           HT2      ALA   1   8.179   4.810  -0.631
    3    H3   ALA   1           HT3      ALA   1   7.135   3.482  -0.517
    4    HA   ALA   1           HA       ALA   1  10.001   3.399  -1.243
    5    HB1  ALA   1           HB1      ALA   1  10.355   2.314   0.876
    6    HB2  ALA   1           HB2      ALA   1   8.629   2.354   1.228
    7    HB3  ALA   1           HB3      ALA   1   9.546   3.857   1.145
    8    H    PHE   2           HN       PHE   2   7.537   1.176   0.077
    9    HA   PHE   2           HA       PHE   2   8.333  -0.749  -2.010
   10    HB2  PHE   2           HB2      PHE   2   7.217  -1.319   0.749
   11    HB3  PHE   2           HB1      PHE   2   7.634  -2.531  -0.456
   12    HD1  PHE   2           HD1      PHE   2  10.005  -2.885  -1.077
   13    HD2  PHE   2           HD2      PHE   2   8.861  -0.332   2.129
   14    HE1  PHE   2           HE1      PHE   2  12.301  -2.965  -0.198
   15    HE2  PHE   2           HE2      PHE   2  11.156  -0.411   3.014
   16    HZ   PHE   2           HZ       PHE   2  12.871  -1.744   1.860
   17    H    GLN   3           HN       GLN   3   5.581  -0.510   0.208
   18    HA   GLN   3           HA       GLN   3   3.759  -0.835  -2.046
   19    HB2  GLN   3           HB2      GLN   3   2.048  -1.213  -0.302
   20    HB3  GLN   3           HB1      GLN   3   3.386  -2.341  -0.177
   21    HG2  GLN   3           HG2      GLN   3   3.025   0.112   1.533
   22    HG3  GLN   3           HG1      GLN   3   2.557  -1.514   1.982
   23   HE21  GLN   3          HE21      GLN   3   4.167  -3.053   2.434
   24   HE22  GLN   3          HE22      GLN   3   5.782  -2.570   2.825
   25    HA   HZP   4           HA       HZP   4   2.674   3.445  -2.118
   26    HB   HZP   4           HB2      HZP   4  -0.029   3.184  -2.708
   27    HBA  HZP   4           HB1      HZP   4   1.283   3.160  -3.900
   28    HG   HZP   4           HG1      HZP   4   0.440   1.083  -4.353
   29    HD   HZP   4           HD3      HZP   4   2.526   0.375  -3.729
   30    HDA  HZP   4           HD2      HZP   4   1.597  -0.471  -2.474
   31   HOD1  HZP   4          HG2       HZP   4  -0.289  -0.038  -2.094
   32    H    THR   5           HN       THR   5   3.018   3.675   0.112
   33    HA   THR   5           HA       THR   5   2.539   4.612   2.089
   34    HB   THR   5           HB       THR   5   0.457   5.655   2.588
   35    HG1  THR   5           HG1      THR   5  -0.565   3.808   0.773
   36   HG21  THR   5          HG21      THR   5   0.995   5.887  -0.370
   37   HG22  THR   5          HG22      THR   5   1.820   6.778   0.909
   38   HG23  THR   5          HG23      THR   5   0.104   7.052   0.610
   39    H    THR   6           HN       THR   6   0.543   4.298   3.929
   40    HA   THR   6           HA       THR   6   1.245   1.961   5.187
   41    HB   THR   6           HB       THR   6  -0.895   2.288   6.530
   42    HG1  THR   6           HG1      THR   6  -2.334   3.551   5.645
   43   HG21  THR   6          HG21      THR   6   0.983   4.629   6.193
   44   HG22  THR   6          HG22      THR   6   1.237   3.231   7.238
   45   HG23  THR   6          HG23      THR   6  -0.075   4.359   7.576
   46    HA   PRO   7           HA       PRO   7  -0.862  -1.272   2.884
   47    HB2  PRO   7           HB2      PRO   7  -0.331  -2.680   5.452
   48    HB3  PRO   7           HB1      PRO   7   0.010  -3.192   3.795
   49    HG2  PRO   7           HG2      PRO   7   1.974  -2.341   5.360
   50    HG3  PRO   7           HG1      PRO   7   1.918  -1.890   3.645
   51    HD2  PRO   7           HD2      PRO   7   1.219  -0.263   6.056
   52    HD3  PRO   7           HD1      PRO   7   2.041   0.231   4.562
   53    H    GLY   8           HN       GLY   8  -2.793  -2.481   3.096
   54    HA2  GLY   8           HA2      GLY   8  -4.821  -3.075   4.149
   55    HA3  GLY   8           HA1      GLY   8  -4.496  -1.874   5.393
   56    H    ASN   9           HN       ASN   9  -5.473  -2.334   2.048
   57    HA   ASN   9           HA       ASN   9  -6.923  -1.195   0.721
   58    HB2  ASN   9           HB2      ASN   9  -7.567   0.294   3.275
   59    HB3  ASN   9           HB1      ASN   9  -8.387   0.590   1.746
   60   HD21  ASN   9          HD21      ASN   9  -7.984  -1.584   4.410
   61   HD22  ASN   9          HD22      ASN   9  -9.308  -2.626   4.024
   62    H    SER  10           HN       SER  10  -4.287  -0.610   0.689
   63    HA   SER  10           HA       SER  10  -3.771   2.199   0.820
   64    HB2  SER  10           HB2      SER  10  -2.143   0.121  -0.649
   65    HB3  SER  10           HB1      SER  10  -1.583   1.628   0.074
   66    HG   SER  10           HG       SER  10  -1.757   0.764   2.068
   67    HA   HZP  11           HA       HZP  11  -5.141   3.486  -3.239
   68    HB   HZP  11           HB2      HZP  11  -3.007   5.197  -3.772
   69    HBA  HZP  11           HB1      HZP  11  -4.475   5.647  -2.883
   70    HG   HZP  11           HG1      HZP  11  -2.924   6.107  -1.252
   71    HD   HZP  11           HD3      HZP  11  -4.200   4.505  -0.140
   72    HDA  HZP  11           HD2      HZP  11  -2.609   3.719  -0.057
   73   HOD1  HZP  11          HG2       HZP  11  -1.198   4.047  -1.453
   74    H    GLY  12           HN       GLY  12  -4.816   1.528  -4.344
   75    HA2  GLY  12           HA2      GLY  12  -3.649   0.956  -6.482
   76    HA3  GLY  12           HA1      GLY  12  -2.155   1.194  -5.583
   77    H    VAL  13           HN       VAL  13  -1.933  -0.175  -3.590
   78    HA   VAL  13           HA       VAL  13  -3.464  -2.566  -3.361
   79    HB   VAL  13           HB       VAL  13  -2.208  -3.259  -5.318
   80   HG11  VAL  13          HG11      VAL  13  -0.287  -1.788  -5.141
   81   HG12  VAL  13          HG12      VAL  13   0.236  -3.466  -5.293
   82   HG13  VAL  13          HG13      VAL  13   0.281  -2.667  -3.721
   83   HG21  VAL  13          HG21      VAL  13  -1.197  -4.604  -2.815
   84   HG22  VAL  13          HG22      VAL  13  -1.159  -5.295  -4.436
   85   HG23  VAL  13          HG23      VAL  13  -2.705  -4.960  -3.657
   86    H    GLY  14           HN       GLY  14  -3.467  -3.011  -1.253
   87    HA2  GLY  14           HA2      GLY  14  -1.017  -2.943   0.289
   88    HA3  GLY  14           HA1      GLY  14  -2.181  -1.694   0.710
   89    H    HIS  15           HN       HIS  15  -1.071  -4.331   1.932
   90    HA   HIS  15           HA       HIS  15  -3.617  -5.010   3.180
   91    HB2  HIS  15           HB2      HIS  15  -1.800  -7.040   1.870
   92    HB3  HIS  15           HB1      HIS  15  -3.005  -7.471   3.077
   93    HD1  HIS  15           HD1      HIS  15  -2.601  -6.593  -0.495
   94    HD2  HIS  15           HD2      HIS  15  -5.701  -7.228   2.195
   95    HE1  HIS  15           HE1      HIS  15  -4.671  -6.844  -1.899
   96    HE2  HIS  15           HE2      HIS  15  -6.492  -7.423  -0.261
  Start of MODEL    6
    1    H1   ALA   1           HT1      ALA   1   8.914   2.137   1.531
    2    H2   ALA   1           HT2      ALA   1   8.132   0.646   1.678
    3    H3   ALA   1           HT3      ALA   1   7.267   2.007   1.187
    4    HA   ALA   1           HA       ALA   1   8.483   2.138  -0.848
    5    HB1  ALA   1           HB1      ALA   1   9.923  -0.321   0.140
    6    HB2  ALA   1           HB2      ALA   1  10.614   1.296   0.010
    7    HB3  ALA   1           HB3      ALA   1  10.117   0.430  -1.444
    8    H    PHE   2           HN       PHE   2   8.070   0.726  -2.717
    9    HA   PHE   2           HA       PHE   2   6.801  -0.635  -3.988
   10    HB2  PHE   2           HB2      PHE   2   6.373  -2.219  -1.450
   11    HB3  PHE   2           HB1      PHE   2   5.954  -2.757  -3.072
   12    HD1  PHE   2           HD1      PHE   2   7.910  -2.820  -4.787
   13    HD2  PHE   2           HD2      PHE   2   8.430  -2.763  -0.563
   14    HE1  PHE   2           HE1      PHE   2  10.165  -3.765  -5.055
   15    HE2  PHE   2           HE2      PHE   2  10.686  -3.706  -0.826
   16    HZ   PHE   2           HZ       PHE   2  11.556  -4.208  -3.073
   17    H    GLN   3           HN       GLN   3   4.969  -0.924  -0.961
   18    HA   GLN   3           HA       GLN   3   2.551  -0.163  -2.329
   19    HB2  GLN   3           HB2      GLN   3   1.524  -0.448  -0.043
   20    HB3  GLN   3           HB1      GLN   3   2.301  -1.878  -0.703
   21    HG2  GLN   3           HG2      GLN   3   4.285  -1.396   0.685
   22    HG3  GLN   3           HG1      GLN   3   3.424  -0.028   1.391
   23   HE21  GLN   3          HE21      GLN   3   4.471  -2.495   2.616
   24   HE22  GLN   3          HE22      GLN   3   3.116  -3.223   3.411
   25    HA   HZP   4           HA       HZP   4   3.111   4.159  -1.464
   26    HB   HZP   4           HB2      HZP   4   0.645   4.974  -2.332
   27    HBA  HZP   4           HB1      HZP   4   1.994   4.600  -3.421
   28    HG   HZP   4           HG1      HZP   4   0.463   3.123  -4.275
   29    HD   HZP   4           HD3      HZP   4   2.032   1.533  -3.721
   30    HDA  HZP   4           HD2      HZP   4   0.784   0.989  -2.582
   31   HOD1  HZP   4          HG2       HZP   4  -0.726   2.133  -2.036
   32    H    THR   5           HN       THR   5   3.083   3.457   0.818
   33    HA   THR   5           HA       THR   5   2.525   3.775   2.963
   34    HB   THR   5           HB       THR   5   1.102   5.726   3.555
   35    HG1  THR   5           HG1      THR   5   0.291   5.468   0.991
   36   HG21  THR   5          HG21      THR   5   3.227   6.244   1.480
   37   HG22  THR   5          HG22      THR   5   3.496   5.990   3.204
   38   HG23  THR   5          HG23      THR   5   2.622   7.417   2.650
   39    H    THR   6           HN       THR   6   0.420   4.258   4.438
   40    HA   THR   6           HA       THR   6  -1.141   3.020   5.530
   41    HB   THR   6           HB       THR   6  -2.505   4.691   4.588
   42    HG1  THR   6           HG1      THR   6  -3.658   2.121   4.193
   43   HG21  THR   6          HG21      THR   6  -1.701   4.479   2.246
   44   HG22  THR   6          HG22      THR   6  -3.445   4.686   2.385
   45   HG23  THR   6          HG23      THR   6  -2.773   3.092   2.048
   46    HA   PRO   7           HA       PRO   7  -0.404  -1.101   3.391
   47    HB2  PRO   7           HB2      PRO   7   0.475  -1.629   6.188
   48    HB3  PRO   7           HB1      PRO   7   1.190  -2.168   4.661
   49    HG2  PRO   7           HG2      PRO   7   2.361  -0.236   6.025
   50    HG3  PRO   7           HG1      PRO   7   2.199  -0.096   4.256
   51    HD2  PRO   7           HD2      PRO   7   0.529   1.177   6.415
   52    HD3  PRO   7           HD1      PRO   7   1.216   1.914   4.949
   53    H    GLY   8           HN       GLY   8  -1.970  -2.567   3.405
   54    HA2  GLY   8           HA2      GLY   8  -3.673  -3.825   4.695
   55    HA3  GLY   8           HA1      GLY   8  -4.043  -2.295   5.486
   56    H    ASN   9           HN       ASN   9  -4.060  -0.526   3.473
   57    HA   ASN   9           HA       ASN   9  -5.392  -1.443   1.120
   58    HB2  ASN   9           HB2      ASN   9  -7.261  -1.476   2.811
   59    HB3  ASN   9           HB1      ASN   9  -7.037   0.258   3.009
   60   HD21  ASN   9          HD21      ASN   9  -9.368  -1.190   2.093
   61   HD22  ASN   9          HD22      ASN   9  -9.731  -0.588   0.514
   62    H    SER  10           HN       SER  10  -4.126  -0.271  -0.188
   63    HA   SER  10           HA       SER  10  -4.274   2.650   0.103
   64    HB2  SER  10           HB2      SER  10  -1.957   2.887  -0.596
   65    HB3  SER  10           HB1      SER  10  -2.011   1.808   0.795
   66    HG   SER  10           HG       SER  10  -1.736   0.066  -0.564
   67    HA   HZP  11           HA       HZP  11  -5.759   2.937  -4.039
   68    HB   HZP  11           HB2      HZP  11  -3.554   4.350  -5.206
   69    HBA  HZP  11           HB1      HZP  11  -5.110   5.013  -4.679
   70    HG   HZP  11           HG1      HZP  11  -3.896   6.106  -3.118
   71    HD   HZP  11           HD3      HZP  11  -4.856   4.718  -1.530
   72    HDA  HZP  11           HD2      HZP  11  -3.165   4.242  -1.285
   73   HOD1  HZP  11          HG2       HZP  11  -1.772   4.514  -2.692
   74    H    GLY  12           HN       GLY  12  -2.218   2.452  -4.057
   75    HA2  GLY  12           HA2      GLY  12  -2.231   0.874  -6.432
   76    HA3  GLY  12           HA1      GLY  12  -0.901   1.020  -5.290
   77    H    VAL  13           HN       VAL  13  -1.123  -0.238  -3.253
   78    HA   VAL  13           HA       VAL  13  -2.828  -2.607  -3.520
   79    HB   VAL  13           HB       VAL  13   0.078  -2.772  -2.695
   80   HG11  VAL  13          HG11      VAL  13  -1.332  -4.431  -1.612
   81   HG12  VAL  13          HG12      VAL  13  -0.283  -5.197  -2.804
   82   HG13  VAL  13          HG13      VAL  13  -1.984  -4.922  -3.175
   83   HG21  VAL  13          HG21      VAL  13   0.474  -3.936  -4.795
   84   HG22  VAL  13          HG22      VAL  13  -0.125  -2.304  -5.090
   85   HG23  VAL  13          HG23      VAL  13  -1.206  -3.684  -5.265
   86    H    GLY  14           HN       GLY  14  -0.258  -2.032  -1.173
   87    HA2  GLY  14           HA2      GLY  14  -0.380  -1.416   1.063
   88    HA3  GLY  14           HA1      GLY  14  -2.104  -1.131   0.865
   89    H    HIS  15           HN       HIS  15   0.222  -3.157   2.170
   90    HA   HIS  15           HA       HIS  15  -1.798  -4.983   3.114
   91    HB2  HIS  15           HB2      HIS  15  -0.826  -7.026   2.293
   92    HB3  HIS  15           HB1      HIS  15  -1.122  -5.979   0.913
   93    HD1  HIS  15           HD1      HIS  15   1.300  -8.221   2.101
   94    HD2  HIS  15           HD2      HIS  15   1.501  -4.464   0.338
   95    HE1  HIS  15           HE1      HIS  15   3.626  -8.032   1.178
   96    HE2  HIS  15           HE2      HIS  15   3.781  -5.683   0.290
  Start of MODEL    7
    1    H1   ALA   1           HT1      ALA   1   8.456   4.311   1.093
    2    H2   ALA   1           HT2      ALA   1   8.238   2.709   1.581
    3    H3   ALA   1           HT3      ALA   1   7.264   3.360   0.360
    4    HA   ALA   1           HA       ALA   1   9.169   3.609  -1.077
    5    HB1  ALA   1           HB1      ALA   1  10.828   3.899   0.723
    6    HB2  ALA   1           HB2      ALA   1  11.320   2.700  -0.471
    7    HB3  ALA   1           HB3      ALA   1  10.696   2.180   1.094
    8    H    PHE   2           HN       PHE   2   9.267   0.687   0.992
    9    HA   PHE   2           HA       PHE   2   9.209  -1.074  -1.223
   10    HB2  PHE   2           HB2      PHE   2   8.631  -1.554   1.705
   11    HB3  PHE   2           HB1      PHE   2   8.732  -2.836   0.504
   12    HD1  PHE   2           HD1      PHE   2  10.888  -3.304  -0.615
   13    HD2  PHE   2           HD2      PHE   2  10.580  -0.558   2.619
   14    HE1  PHE   2           HE1      PHE   2  13.318  -3.442  -0.274
   15    HE2  PHE   2           HE2      PHE   2  13.012  -0.688   2.964
   16    HZ   PHE   2           HZ       PHE   2  14.383  -2.131   1.518
   17    H    GLN   3           HN       GLN   3   6.725  -0.294   1.202
   18    HA   GLN   3           HA       GLN   3   4.658  -1.467  -0.429
   19    HB2  GLN   3           HB2      GLN   3   3.178  -0.910   1.391
   20    HB3  GLN   3           HB1      GLN   3   4.644  -1.605   2.058
   21    HG2  GLN   3           HG2      GLN   3   4.024   1.341   1.946
   22    HG3  GLN   3           HG1      GLN   3   3.804   0.306   3.344
   23   HE21  GLN   3          HE21      GLN   3   5.439   2.683   3.007
   24   HE22  GLN   3          HE22      GLN   3   7.049   2.202   3.424
   25    HA   HZP   4           HA       HZP   4   3.653   2.312  -2.599
   26    HB   HZP   4           HB2      HZP   4   1.085   1.696  -3.277
   27    HBA  HZP   4           HB1      HZP   4   2.487   0.971  -4.091
   28    HG   HZP   4           HG1      HZP   4   1.362  -0.941  -3.384
   29    HD   HZP   4           HD3      HZP   4   3.518  -1.247  -2.540
   30    HDA  HZP   4           HD2      HZP   4   2.596  -1.329  -1.021
   31   HOD1  HZP   4          HG2       HZP   4   0.855  -0.333  -0.790
   32    H    THR   5           HN       THR   5   3.797   3.432  -0.508
   33    HA   THR   5           HA       THR   5   3.079   4.689   1.224
   34    HB   THR   5           HB       THR   5   1.010   5.993   0.945
   35    HG1  THR   5           HG1      THR   5   0.419   3.988  -0.830
   36   HG21  THR   5          HG21      THR   5   2.652   5.775  -1.572
   37   HG22  THR   5          HG22      THR   5   3.041   6.750  -0.155
   38   HG23  THR   5          HG23      THR   5   1.625   7.139  -1.129
   39    H    THR   6           HN       THR   6   0.548   5.020   2.382
   40    HA   THR   6           HA       THR   6   0.312   3.121   4.268
   41    HB   THR   6           HB       THR   6  -1.001   5.081   4.470
   42    HG1  THR   6           HG1      THR   6  -3.176   4.120   4.759
   43   HG21  THR   6          HG21      THR   6  -1.423   5.591   2.148
   44   HG22  THR   6          HG22      THR   6  -2.956   5.546   3.021
   45   HG23  THR   6          HG23      THR   6  -2.483   4.190   1.998
   46    HA   PRO   7           HA       PRO   7  -0.809  -0.447   1.750
   47    HB2  PRO   7           HB2      PRO   7  -0.299  -2.045   4.109
   48    HB3  PRO   7           HB1      PRO   7   0.619  -1.969   2.606
   49    HG2  PRO   7           HG2      PRO   7   1.557  -1.034   4.986
   50    HG3  PRO   7           HG1      PRO   7   2.053  -0.393   3.411
   51    HD2  PRO   7           HD2      PRO   7   0.077   0.711   5.370
   52    HD3  PRO   7           HD1      PRO   7   1.288   1.559   4.384
   53    H    GLY   8           HN       GLY   8  -1.946  -2.681   2.743
   54    HA2  GLY   8           HA2      GLY   8  -3.894  -3.589   3.579
   55    HA3  GLY   8           HA1      GLY   8  -4.200  -2.077   4.420
   56    H    ASN   9           HN       ASN   9  -3.509  -2.048   1.047
   57    HA   ASN   9           HA       ASN   9  -4.691  -1.469  -0.793
   58    HB2  ASN   9           HB2      ASN   9  -6.871  -2.889   0.737
   59    HB3  ASN   9           HB1      ASN   9  -7.100  -2.260  -0.891
   60   HD21  ASN   9          HD21      ASN   9  -7.071  -5.004   0.274
   61   HD22  ASN   9          HD22      ASN   9  -5.962  -5.886  -0.717
   62    H    SER  10           HN       SER  10  -4.501   0.380   1.493
   63    HA   SER  10           HA       SER  10  -6.908   1.824   1.749
   64    HB2  SER  10           HB2      SER  10  -4.101   2.887   2.127
   65    HB3  SER  10           HB1      SER  10  -5.586   3.561   2.790
   66    HG   SER  10           HG       SER  10  -4.053   1.476   3.679
   67    HA   HZP  11           HA       HZP  11  -5.551   4.538  -1.854
   68    HB   HZP  11           HB2      HZP  11  -3.142   4.219  -3.068
   69    HBA  HZP  11           HB1      HZP  11  -3.340   5.160  -1.579
   70    HG   HZP  11           HG1      HZP  11  -1.920   3.703  -0.599
   71    HD   HZP  11           HD3      HZP  11  -3.259   2.348   0.585
   72    HDA  HZP  11           HD2      HZP  11  -3.512   1.308  -0.828
   73   HOD1  HZP  11          HG2       HZP  11  -1.031   2.072  -1.738
   74    H    GLY  12           HN       GLY  12  -5.975   1.442  -1.848
   75    HA2  GLY  12           HA2      GLY  12  -7.264   0.535  -3.745
   76    HA3  GLY  12           HA1      GLY  12  -5.982   1.141  -4.785
   77    H    VAL  13           HN       VAL  13  -3.809   0.361  -3.104
   78    HA   VAL  13           HA       VAL  13  -4.004  -2.562  -3.109
   79    HB   VAL  13           HB       VAL  13  -3.128  -1.738  -5.326
   80   HG11  VAL  13          HG11      VAL  13  -1.874   0.180  -4.568
   81   HG12  VAL  13          HG12      VAL  13  -0.812  -0.938  -5.426
   82   HG13  VAL  13          HG13      VAL  13  -0.776  -0.863  -3.665
   83   HG21  VAL  13          HG21      VAL  13  -1.233  -3.420  -3.694
   84   HG22  VAL  13          HG22      VAL  13  -1.295  -3.345  -5.456
   85   HG23  VAL  13          HG23      VAL  13  -2.663  -3.996  -4.552
   86    H    GLY  14           HN       GLY  14  -2.019  -3.548  -2.041
   87    HA2  GLY  14           HA2      GLY  14   0.009  -2.898  -0.704
   88    HA3  GLY  14           HA1      GLY  14  -1.056  -1.750   0.094
   89    H    HIS  15           HN       HIS  15   0.396  -3.723   1.477
   90    HA   HIS  15           HA       HIS  15  -1.802  -5.419   2.427
   91    HB2  HIS  15           HB2      HIS  15  -0.200  -7.245   2.867
   92    HB3  HIS  15           HB1      HIS  15  -0.302  -6.856   1.157
   93    HD1  HIS  15           HD1      HIS  15   2.085  -7.474   3.768
   94    HD2  HIS  15           HD2      HIS  15   2.012  -5.144   0.328
   95    HE1  HIS  15           HE1      HIS  15   4.489  -6.995   3.221
   96    HE2  HIS  15           HE2      HIS  15   4.429  -5.714   1.057
  Start of MODEL    8
    1    H1   ALA   1           HT1      ALA   1   8.390   4.035  -1.492
    2    H2   ALA   1           HT2      ALA   1   8.936   4.137   0.104
    3    H3   ALA   1           HT3      ALA   1   7.404   3.504  -0.224
    4    HA   ALA   1           HA       ALA   1   9.997   2.307  -0.999
    5    HB1  ALA   1           HB1      ALA   1   7.939   1.391   1.010
    6    HB2  ALA   1           HB2      ALA   1   9.505   2.106   1.391
    7    HB3  ALA   1           HB3      ALA   1   9.426   0.542   0.583
    8    H    PHE   2           HN       PHE   2   9.049  -0.313  -1.088
    9    HA   PHE   2           HA       PHE   2   7.951  -0.417  -3.666
   10    HB2  PHE   2           HB2      PHE   2   7.704  -2.846  -3.286
   11    HB3  PHE   2           HB1      PHE   2   9.290  -2.252  -2.821
   12    HD1  PHE   2           HD2      PHE   2   9.971  -2.214  -0.492
   13    HD2  PHE   2           HD1      PHE   2   6.142  -3.670  -1.643
   14    HE1  PHE   2           HE2      PHE   2   9.710  -3.268   1.716
   15    HE2  PHE   2           HE1      PHE   2   5.877  -4.728   0.560
   16    HZ   PHE   2           HZ       PHE   2   7.664  -4.529   2.243
   17    H    GLN   3           HN       GLN   3   6.443  -0.421  -0.518
   18    HA   GLN   3           HA       GLN   3   3.824  -0.691  -1.803
   19    HB2  GLN   3           HB2      GLN   3   2.907  -1.270   0.267
   20    HB3  GLN   3           HB1      GLN   3   4.489  -2.030   0.320
   21    HG2  GLN   3           HG2      GLN   3   3.866   0.640   1.551
   22    HG3  GLN   3           HG1      GLN   3   3.793  -0.878   2.422
   23   HE21  GLN   3          HE21      GLN   3   5.451   1.442   2.913
   24   HE22  GLN   3          HE22      GLN   3   7.090   0.895   2.838
   25    HA   HZP   4           HA       HZP   4   3.154   3.714  -1.232
   26    HB   HZP   4           HB2      HZP   4   0.421   3.667  -1.462
   27    HBA  HZP   4           HB1      HZP   4   1.517   3.602  -2.858
   28    HG   HZP   4           HG1      HZP   4   0.325   1.655  -3.224
   29    HD   HZP   4           HD3      HZP   4   2.461   0.769  -3.160
   30    HDA  HZP   4           HD2      HZP   4   1.791  -0.107  -1.770
   31   HOD1  HZP   4          HG2       HZP   4   0.227   0.539  -0.781
   32    H    THR   5           HN       THR   5   3.863   2.838   1.038
   33    HA   THR   5           HA       THR   5   3.807   3.390   3.206
   34    HB   THR   5           HB       THR   5   2.260   5.017   4.097
   35    HG1  THR   5           HG1      THR   5   0.693   4.204   1.960
   36   HG21  THR   5          HG21      THR   5   4.112   5.736   2.593
   37   HG22  THR   5          HG22      THR   5   2.752   6.860   2.643
   38   HG23  THR   5          HG23      THR   5   2.954   5.777   1.263
   39    H    THR   6           HN       THR   6   1.922   3.488   5.145
   40    HA   THR   6           HA       THR   6   1.609   0.958   5.984
   41    HB   THR   6           HB       THR   6   1.163   2.748   7.482
   42    HG1  THR   6           HG1      THR   6  -1.417   1.727   7.444
   43   HG21  THR   6          HG21      THR   6   0.180   4.354   5.937
   44   HG22  THR   6          HG22      THR   6  -0.849   4.148   7.354
   45   HG23  THR   6          HG23      THR   6  -1.284   3.375   5.829
   46    HA   PRO   7           HA       PRO   7  -1.030  -0.536   2.727
   47    HB2  PRO   7           HB2      PRO   7  -0.561  -3.189   3.879
   48    HB3  PRO   7           HB1      PRO   7  -0.094  -2.547   2.299
   49    HG2  PRO   7           HG2      PRO   7   1.727  -3.020   4.211
   50    HG3  PRO   7           HG1      PRO   7   1.874  -1.653   3.088
   51    HD2  PRO   7           HD2      PRO   7   0.864  -1.667   5.917
   52    HD3  PRO   7           HD1      PRO   7   2.008  -0.555   5.132
   53    H    GLY   8           HN       GLY   8  -2.890   0.470   3.892
   54    HA2  GLY   8           HA2      GLY   8  -4.619  -1.460   5.213
   55    HA3  GLY   8           HA1      GLY   8  -5.034   0.193   4.772
   56    H    ASN   9           HN       ASN   9  -3.928  -0.290   2.072
   57    HA   ASN   9           HA       ASN   9  -4.384  -1.125   0.024
   58    HB2  ASN   9           HB2      ASN   9  -5.916  -3.172   1.607
   59    HB3  ASN   9           HB1      ASN   9  -5.933  -3.156  -0.153
   60   HD21  ASN   9          HD21      ASN   9  -4.096  -3.726  -1.279
   61   HD22  ASN   9          HD22      ASN   9  -2.736  -4.482  -0.524
   62    H    SER  10           HN       SER  10  -5.351   0.777  -0.595
   63    HA   SER  10           HA       SER  10  -8.187   0.417  -1.134
   64    HB2  SER  10           HB2      SER  10  -7.069   2.939   0.100
   65    HB3  SER  10           HB1      SER  10  -8.702   2.769  -0.539
   66    HG   SER  10           HG       SER  10  -8.207   0.735   1.116
   67    HA   HZP  11           HA       HZP  11  -6.482   3.206  -4.550
   68    HB   HZP  11           HB2      HZP  11  -4.141   4.471  -4.412
   69    HBA  HZP  11           HB1      HZP  11  -5.536   5.076  -3.493
   70    HG   HZP  11           HG1      HZP  11  -4.025   4.864  -1.760
   71    HD   HZP  11           HD3      HZP  11  -5.581   3.505  -0.803
   72    HDA  HZP  11           HD2      HZP  11  -4.459   2.182  -1.171
   73   HOD1  HZP  11          HG2       HZP  11  -2.244   3.690  -1.921
   74    H    GLY  12           HN       GLY  12  -4.790   0.736  -3.160
   75    HA2  GLY  12           HA2      GLY  12  -4.014  -0.594  -5.433
   76    HA3  GLY  12           HA1      GLY  12  -2.633   0.405  -4.997
   77    H    VAL  13           HN       VAL  13  -1.197  -1.063  -4.235
   78    HA   VAL  13           HA       VAL  13  -2.098  -3.235  -2.547
   79    HB   VAL  13           HB       VAL  13   0.279  -3.948  -2.539
   80   HG11  VAL  13          HG11      VAL  13  -0.903  -3.379  -5.251
   81   HG12  VAL  13          HG12      VAL  13  -1.251  -4.775  -4.230
   82   HG13  VAL  13          HG13      VAL  13   0.360  -4.559  -4.913
   83   HG21  VAL  13          HG21      VAL  13   1.856  -2.837  -4.079
   84   HG22  VAL  13          HG22      VAL  13   1.386  -1.800  -2.734
   85   HG23  VAL  13          HG23      VAL  13   0.679  -1.551  -4.327
   86    H    GLY  14           HN       GLY  14  -2.681  -0.920  -1.265
   87    HA2  GLY  14           HA2      GLY  14  -2.003  -1.273   1.280
   88    HA3  GLY  14           HA1      GLY  14  -0.585  -0.419   0.690
   89    H    HIS  15           HN       HIS  15  -1.115   1.200   2.235
   90    HA   HIS  15           HA       HIS  15  -1.920   3.184   2.934
   91    HB2  HIS  15           HB2      HIS  15  -1.371   3.839   0.586
   92    HB3  HIS  15           HB1      HIS  15  -3.043   3.503   0.148
   93    HD1  HIS  15           HD1      HIS  15  -4.780   5.272   0.707
   94    HD2  HIS  15           HD2      HIS  15  -1.025   6.116   2.274
   95    HE1  HIS  15           HE1      HIS  15  -4.912   7.638   1.539
   96    HE2  HIS  15           HE2      HIS  15  -2.585   8.177   2.333
  Start of MODEL    9
    1    H1   ALA   1           HT1      ALA   1   8.043   3.887   2.268
    2    H2   ALA   1           HT2      ALA   1   8.043   2.199   2.224
    3    H3   ALA   1           HT3      ALA   1   6.898   3.067   1.335
    4    HA   ALA   1           HA       ALA   1   8.588   3.975  -0.075
    5    HB1  ALA   1           HB1      ALA   1  10.367   4.036   1.613
    6    HB2  ALA   1           HB2      ALA   1  10.899   3.269   0.118
    7    HB3  ALA   1           HB3      ALA   1  10.501   2.280   1.524
    8    H    PHE   2           HN       PHE   2   9.286   0.663   1.064
    9    HA   PHE   2           HA       PHE   2   9.281  -0.473  -1.515
   10    HB2  PHE   2           HB2      PHE   2   8.833  -1.776   1.180
   11    HB3  PHE   2           HB1      PHE   2   9.144  -2.647  -0.315
   12    HD1  PHE   2           HD1      PHE   2  11.352  -2.603  -1.343
   13    HD2  PHE   2           HD2      PHE   2  10.594  -0.616   2.343
   14    HE1  PHE   2           HE1      PHE   2  13.771  -2.431  -0.943
   15    HE2  PHE   2           HE2      PHE   2  13.013  -0.443   2.750
   16    HZ   PHE   2           HZ       PHE   2  14.606  -1.349   1.105
   17    H    GLN   3           HN       GLN   3   6.841  -0.568   1.067
   18    HA   GLN   3           HA       GLN   3   4.812  -1.556  -0.709
   19    HB2  GLN   3           HB2      GLN   3   3.292  -1.182   1.226
   20    HB3  GLN   3           HB1      GLN   3   4.689  -2.171   1.626
   21    HG2  GLN   3           HG2      GLN   3   5.729   0.041   2.426
   22    HG3  GLN   3           HG1      GLN   3   4.081   0.647   2.416
   23   HE21  GLN   3          HE21      GLN   3   4.080   0.919   4.651
   24   HE22  GLN   3          HE22      GLN   3   3.982  -0.424   5.736
   25    HA   HZP   4           HA       HZP   4   3.802   2.278  -2.577
   26    HB   HZP   4           HB2      HZP   4   1.224   1.701  -3.332
   27    HBA  HZP   4           HB1      HZP   4   2.669   1.130  -4.188
   28    HG   HZP   4           HG1      HZP   4   1.707  -0.908  -3.728
   29    HD   HZP   4           HD3      HZP   4   3.740  -1.233  -2.692
   30    HDA  HZP   4           HD2      HZP   4   2.694  -1.427  -1.268
   31   HOD1  HZP   4          HG2       HZP   4   0.161  -1.147  -2.298
   32    H    THR   5           HN       THR   5   3.824   3.103  -0.233
   33    HA   THR   5           HA       THR   5   3.068   4.665   1.196
   34    HB   THR   5           HB       THR   5   1.425   6.326   0.272
   35    HG1  THR   5           HG1      THR   5   0.764   4.399  -1.328
   36   HG21  THR   5          HG21      THR   5   3.923   6.410  -0.010
   37   HG22  THR   5          HG22      THR   5   3.003   7.274  -1.243
   38   HG23  THR   5          HG23      THR   5   3.697   5.694  -1.606
   39    H    THR   6           HN       THR   6   2.204   3.732   2.922
   40    HA   THR   6           HA       THR   6   0.734   2.761   4.344
   41    HB   THR   6           HB       THR   6  -1.465   3.951   4.537
   42    HG1  THR   6           HG1      THR   6  -0.992   4.597   2.026
   43   HG21  THR   6          HG21      THR   6   0.778   4.712   5.510
   44   HG22  THR   6          HG22      THR   6  -0.518   5.905   5.423
   45   HG23  THR   6          HG23      THR   6   0.781   5.922   4.229
   46    HA   PRO   7           HA       PRO   7  -1.242  -0.086   1.359
   47    HB2  PRO   7           HB2      PRO   7  -0.171  -2.353   2.279
   48    HB3  PRO   7           HB1      PRO   7   0.792  -1.234   1.297
   49    HG2  PRO   7           HG2      PRO   7   0.737  -1.567   4.270
   50    HG3  PRO   7           HG1      PRO   7   2.128  -1.426   3.177
   51    HD2  PRO   7           HD2      PRO   7   1.109   0.673   4.611
   52    HD3  PRO   7           HD1      PRO   7   1.964   0.862   3.067
   53    H    GLY   8           HN       GLY   8  -1.950  -2.620   2.433
   54    HA2  GLY   8           HA2      GLY   8  -3.560  -3.619   3.741
   55    HA3  GLY   8           HA1      GLY   8  -3.372  -2.294   4.882
   56    H    ASN   9           HN       ASN   9  -4.504  -2.646   1.539
   57    HA   ASN   9           HA       ASN   9  -6.260  -1.746   0.418
   58    HB2  ASN   9           HB2      ASN   9  -7.394  -3.493   1.750
   59    HB3  ASN   9           HB1      ASN   9  -7.701  -2.311   3.017
   60   HD21  ASN   9          HD21      ASN   9  -9.915  -2.577   2.857
   61   HD22  ASN   9          HD22      ASN   9 -10.829  -1.953   1.528
   62    H    SER  10           HN       SER  10  -4.898   0.327   0.805
   63    HA   SER  10           HA       SER  10  -6.826   2.299   1.766
   64    HB2  SER  10           HB2      SER  10  -3.840   2.500   2.222
   65    HB3  SER  10           HB1      SER  10  -5.028   3.733   2.628
   66    HG   SER  10           HG       SER  10  -5.042   1.082   3.655
   67    HA   HZP  11           HA       HZP  11  -4.915   4.093  -2.098
   68    HB   HZP  11           HB2      HZP  11  -2.438   3.458  -2.947
   69    HBA  HZP  11           HB1      HZP  11  -2.696   4.528  -1.556
   70    HG   HZP  11           HG1      HZP  11  -1.553   3.041  -0.325
   71    HD   HZP  11           HD3      HZP  11  -3.161   1.797   0.753
   72    HDA  HZP  11           HD2      HZP  11  -3.430   0.792  -0.683
   73   HOD1  HZP  11          HG2       HZP  11  -0.549   1.523  -1.371
   74    H    GLY  12           HN       GLY  12  -6.132   1.424  -2.007
   75    HA2  GLY  12           HA2      GLY  12  -7.033   0.066  -3.662
   76    HA3  GLY  12           HA1      GLY  12  -5.906   0.769  -4.815
   77    H    VAL  13           HN       VAL  13  -3.739  -0.016  -4.863
   78    HA   VAL  13           HA       VAL  13  -3.662  -2.875  -4.441
   79    HB   VAL  13           HB       VAL  13  -1.463  -2.739  -5.633
   80   HG11  VAL  13          HG11      VAL  13  -3.807  -1.444  -7.019
   81   HG12  VAL  13          HG12      VAL  13  -3.549  -3.178  -6.826
   82   HG13  VAL  13          HG13      VAL  13  -2.439  -2.225  -7.812
   83   HG21  VAL  13          HG21      VAL  13  -0.820  -0.477  -4.998
   84   HG22  VAL  13          HG22      VAL  13  -2.195   0.178  -5.885
   85   HG23  VAL  13          HG23      VAL  13  -0.889  -0.625  -6.753
   86    H    GLY  14           HN       GLY  14  -3.730  -1.725  -2.001
   87    HA2  GLY  14           HA2      GLY  14  -0.940  -1.834  -1.035
   88    HA3  GLY  14           HA1      GLY  14  -2.239  -0.975  -0.224
   89    H    HIS  15           HN       HIS  15  -0.329  -3.418   0.300
   90    HA   HIS  15           HA       HIS  15  -2.351  -4.958   1.747
   91    HB2  HIS  15           HB2      HIS  15  -0.387  -6.142  -0.225
   92    HB3  HIS  15           HB1      HIS  15  -1.168  -7.096   1.027
   93    HD1  HIS  15           HD1      HIS  15  -3.639  -7.700   0.688
   94    HD2  HIS  15           HD2      HIS  15  -2.038  -5.390  -2.377
   95    HE1  HIS  15           HE1      HIS  15  -5.323  -7.784  -1.176
   96    HE2  HIS  15           HE2      HIS  15  -4.266  -6.504  -3.070
  Start of MODEL   10
    1    H1   ALA   1           HT1      ALA   1   5.948   1.789  -0.324
    2    H2   ALA   1           HT2      ALA   1   5.284   3.013  -1.278
    3    H3   ALA   1           HT3      ALA   1   6.881   3.127  -0.750
    4    HA   ALA   1           HA       ALA   1   6.666   2.488  -3.104
    5    HB1  ALA   1           HB1      ALA   1   7.922   0.398  -1.329
    6    HB2  ALA   1           HB2      ALA   1   8.670   1.918  -1.813
    7    HB3  ALA   1           HB3      ALA   1   8.300   0.695  -3.025
    8    H    PHE   2           HN       PHE   2   6.579  -0.735  -1.735
    9    HA   PHE   2           HA       PHE   2   4.424  -1.542  -3.421
   10    HB2  PHE   2           HB2      PHE   2   4.497  -3.670  -2.104
   11    HB3  PHE   2           HB1      PHE   2   6.056  -3.204  -2.771
   12    HD1  PHE   2           HD1      PHE   2   7.814  -2.310  -1.285
   13    HD2  PHE   2           HD2      PHE   2   4.146  -3.833   0.240
   14    HE1  PHE   2           HE1      PHE   2   8.824  -2.498   0.947
   15    HE2  PHE   2           HE2      PHE   2   5.152  -4.016   2.475
   16    HZ   PHE   2           HZ       PHE   2   7.491  -3.348   2.831
   17    H    GLN   3           HN       GLN   3   4.769  -0.514  -0.120
   18    HA   GLN   3           HA       GLN   3   1.862  -0.137  -0.032
   19    HB2  GLN   3           HB2      GLN   3   2.077  -0.099   2.446
   20    HB3  GLN   3           HB1      GLN   3   2.545  -1.642   1.749
   21    HG2  GLN   3           HG2      GLN   3   4.929  -0.862   1.896
   22    HG3  GLN   3           HG1      GLN   3   4.339   0.509   2.828
   23   HE21  GLN   3          HE21      GLN   3   3.045  -2.752   3.029
   24   HE22  GLN   3          HE22      GLN   3   3.571  -3.043   4.647
   25    HA   HZP   4           HA       HZP   4   3.355   4.023  -0.718
   26    HB   HZP   4           HB2      HZP   4   0.891   5.195  -0.924
   27    HBA  HZP   4           HB1      HZP   4   1.624   4.233  -2.225
   28    HG   HZP   4           HG1      HZP   4  -0.363   3.085  -1.950
   29    HD   HZP   4           HD3      HZP   4   1.147   1.352  -1.659
   30    HDA  HZP   4           HD2      HZP   4   0.376   1.288  -0.060
   31   HOD1  HZP   4          HG2       HZP   4  -0.548   2.861   0.741
   32    H    THR   5           HN       THR   5   3.952   3.622   1.687
   33    HA   THR   5           HA       THR   5   4.088   4.269   3.825
   34    HB   THR   5           HB       THR   5   3.588   6.732   4.287
   35    HG1  THR   5           HG1      THR   5   2.559   6.491   1.777
   36   HG21  THR   5          HG21      THR   5   5.523   5.960   2.106
   37   HG22  THR   5          HG22      THR   5   5.826   5.931   3.844
   38   HG23  THR   5          HG23      THR   5   5.572   7.469   3.017
   39    H    THR   6           HN       THR   6   1.697   3.012   3.054
   40    HA   THR   6           HA       THR   6   0.354   2.953   5.455
   41    HB   THR   6           HB       THR   6  -0.620   5.109   5.042
   42    HG1  THR   6           HG1      THR   6  -2.729   4.549   5.258
   43   HG21  THR   6          HG21      THR   6  -1.168   4.036   2.301
   44   HG22  THR   6          HG22      THR   6  -0.397   5.552   2.771
   45   HG23  THR   6          HG23      THR   6  -2.139   5.350   2.965
   46    HA   PRO   7           HA       PRO   7  -0.809  -0.519   2.786
   47    HB2  PRO   7           HB2      PRO   7  -0.137  -2.349   4.806
   48    HB3  PRO   7           HB1      PRO   7   0.894  -1.838   3.470
   49    HG2  PRO   7           HG2      PRO   7   1.353  -1.324   6.182
   50    HG3  PRO   7           HG1      PRO   7   2.147  -0.515   4.818
   51    HD2  PRO   7           HD2      PRO   7  -0.198   0.389   6.456
   52    HD3  PRO   7           HD1      PRO   7   1.166   1.333   5.809
   53    H    GLY   8           HN       GLY   8  -2.279  -2.395   3.067
   54    HA2  GLY   8           HA2      GLY   8  -3.844  -3.667   4.291
   55    HA3  GLY   8           HA1      GLY   8  -3.926  -2.383   5.483
   56    H    ASN   9           HN       ASN   9  -4.115  -1.000   2.477
   57    HA   ASN   9           HA       ASN   9  -6.692  -1.312   1.559
   58    HB2  ASN   9           HB2      ASN   9  -7.904   0.609   2.607
   59    HB3  ASN   9           HB1      ASN   9  -7.588  -0.698   3.738
   60   HD21  ASN   9          HD21      ASN   9  -6.217  -0.362   5.448
   61   HD22  ASN   9          HD22      ASN   9  -5.610   1.198   5.880
   62    H    SER  10           HN       SER  10  -4.286  -0.778   0.499
   63    HA   SER  10           HA       SER  10  -3.908   2.103   0.305
   64    HB2  SER  10           HB2      SER  10  -2.013   0.043  -0.741
   65    HB3  SER  10           HB1      SER  10  -1.671   1.630  -0.050
   66    HG   SER  10           HG       SER  10  -2.258   0.830   1.980
   67    HA   HZP  11           HA       HZP  11  -5.048   2.370  -4.033
   68    HB   HZP  11           HB2      HZP  11  -3.146   4.370  -4.558
   69    HBA  HZP  11           HB1      HZP  11  -4.830   4.642  -4.077
   70    HG   HZP  11           HG1      HZP  11  -3.898   5.656  -2.261
   71    HD   HZP  11           HD3      HZP  11  -4.885   4.008  -1.050
   72    HDA  HZP  11           HD2      HZP  11  -3.199   3.635  -0.638
   73   HOD1  HZP  11          HG2       HZP  11  -1.686   4.555  -1.562
   74    H    GLY  12           HN       GLY  12  -4.278   1.215  -5.708
   75    HA2  GLY  12           HA2      GLY  12  -2.675   0.391  -7.199
   76    HA3  GLY  12           HA1      GLY  12  -1.409   0.951  -6.116
   77    H    VAL  13           HN       VAL  13  -0.868  -0.334  -4.277
   78    HA   VAL  13           HA       VAL  13  -1.693  -3.149  -4.572
   79    HB   VAL  13           HB       VAL  13   1.030  -2.217  -3.647
   80   HG11  VAL  13          HG11      VAL  13   0.010  -4.944  -4.438
   81   HG12  VAL  13          HG12      VAL  13   0.360  -4.401  -2.796
   82   HG13  VAL  13          HG13      VAL  13   1.665  -4.556  -3.972
   83   HG21  VAL  13          HG21      VAL  13   1.878  -2.902  -5.823
   84   HG22  VAL  13          HG22      VAL  13   0.678  -1.622  -6.000
   85   HG23  VAL  13          HG23      VAL  13   0.243  -3.293  -6.353
   86    H    GLY  14           HN       GLY  14   0.409  -1.722  -2.117
   87    HA2  GLY  14           HA2      GLY  14   0.016  -1.314   0.133
   88    HA3  GLY  14           HA1      GLY  14  -1.669  -1.767  -0.090
   89    H    HIS  15           HN       HIS  15  -0.289  -2.560   2.104
   90    HA   HIS  15           HA       HIS  15   0.047  -4.351   3.435
   91    HB2  HIS  15           HB2      HIS  15  -2.041  -5.174   2.254
   92    HB3  HIS  15           HB1      HIS  15  -0.983  -6.079   1.178
   93    HD1  HIS  15           HD1      HIS  15   0.706  -7.801   2.570
   94    HD2  HIS  15           HD2      HIS  15  -2.803  -6.571   4.430
   95    HE1  HIS  15           HE1      HIS  15   0.278  -9.482   4.389
   96    HE2  HIS  15           HE2      HIS  15  -1.772  -8.641   5.586