*HEADER    ANTIMICROBIAL PROTEIN                   17-MAR-15   2N0V              
*TITLE     BACKBONE 1H, CHEMICAL SHIFT ASSIGNMENTS FOR CN-APM1                   
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: ANTIMICROBIAL PEPTIDE 1;                                   
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 SYNONYM: CN-AMP1;                                                    
*COMPND   5 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: COCOS NUCIFERA;                                 
*SOURCE   4 ORGANISM_COMMON: COCONUT PALM;                                       
*SOURCE   5 ORGANISM_TAXID: 13894                                                
*KEYWDS    ANTIMICROBIAL PROTEIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    20                                                                    
*AUTHOR    M.J.SANTANA, A.L.OLIVEIRA, L.K.QUEIROZ JR., S.M.MANDAL, C.O.MATOS,    
*AUTHOR   2 R.O.DIAS, O.L.FRANCO, L.M.LIAO                                       
*REVDAT   1   23-DEC-15 2N0V    0                                                


assign (resid 1 and name HT#) (resid 1 and name HA)  5.00 3.20 0.5 !   noesy.7
assign (resid 1 and name HB#) (resid 3 and name HB#)  5.00 3.20 0.5 !   noesy.75
assign (resid 1 and name HB#) (resid 1 and name HG)  3.40 1.60 0.5 !   noesy.81
assign (resid 1 and name HB#) (resid 2 and name HB)  5.00 3.20 0.5 !   noesy.121
assign (resid 2 and name HN) (resid 2 and name HA)  3.40 1.60 0.5 !   noesy.0
assign (resid 2 and name HN) (resid 2 and name HB)  2.80 1.00 0.5 !   noesy.8
assign (resid 2 and name HN) (resid 2 and name HG##)  3.40 1.60 0.5 !   noesy.29
assign (resid 2 and name HN) (resid 1 and name HA)  3.40 1.60 0.5 !   noesy.32
assign (resid 2 and name HN) (resid 1 and name HB#)  3.40 1.60 0.5 !   noesy.33
assign (resid 2 and name HN) (resid 1 and name HG)  5.00 3.20 0.5 !   noesy.35
assign (resid 2 and name HA) (resid 2 and name HG##)  3.40 1.60 0.5 !   noesy.77
assign (resid 2 and name HA) (resid 2 and name HB)  5.00 3.20 0.5 !   noesy.80
assign (resid 2 and name HB) (resid 1 and name HB#)  5.00 3.20 0.5 !   noesy.97
assign (resid 2 and name HB) (resid 2 and name HA)  5.00 3.20 0.5 !   noesy.98
assign (resid 2 and name HG##) (resid 2 and name HA)  3.40 1.60 0.5 !   noesy.109
assign (resid 2 and name HA) (resid 5 and name HN)  3.40 1.60 0.5 !   noesy.129
assign (resid 2 and name HB) (resid 2 and name HN)  2.80 1.00 0.5 !   noesy.138
assign (resid 2 and name HB) (resid 3 and name HN)  3.40 1.60 0.5 !   noesy.139
assign (resid 2 and name HG##) (resid 2 and name HN)  3.40 1.60 0.5 !   noesy.156
assign (resid 2 and name HG##) (resid 3 and name HN)  5.00 3.20 0.5 !   noesy.158
assign (resid 2 and name HG##) (resid 4 and name HN)  5.00 3.20 0.5 !   noesy.160
assign (resid 2 and name HA) (resid 2 and name HN)  3.40 1.60 0.5 !   noesy.163
assign (resid 2 and name HN) (resid 3 and name HN)  3.40 1.60 0.5 !   noesy.168
assign (resid 3 and name HN) (resid 3 and name HA)  2.80 1.00 0.5 !   noesy.1
assign (resid 3 and name HN) (resid 3 and name HB#)  2.80 1.00 0.5 !   noesy.10
assign (resid 3 and name HN) (resid 1 and name HA)  5.00 3.20 0.5 !   noesy.38
assign (resid 3 and name HN) (resid 1 and name HB#)  5.00 3.20 0.5 !   noesy.39
assign (resid 3 and name HN) (resid 2 and name HA)  3.40 1.60 0.5 !   noesy.41
assign (resid 3 and name HN) (resid 2 and name HB)  3.40 1.60 0.5 !   noesy.42
assign (resid 3 and name HN) (resid 2 and name HG##)  5.00 3.20 0.5 !   noesy.43
assign (resid 3 and name HB#) (resid 1 and name HB#)  5.00 3.20 0.5 !   noesy.107
assign (resid 3 and name HB#) (resid 3 and name HN)  2.80 1.00 0.5 !   noesy.151
assign (resid 3 and name HB#) (resid 5 and name HN)  5.00 3.20 0.5 !   noesy.155
assign (resid 3 and name HA) (resid 3 and name HN)  2.80 1.00 0.5 !   noesy.164
assign (resid 3 and name HN) (resid 2 and name HN)  3.40 1.60 0.5 !   noesy.170
assign (resid 3 and name HN) (resid 4 and name HN)  3.40 1.60 0.5 !   noesy.171
assign (resid 3 and name HN) (resid 1 and name HG)  5.00 3.20 0.5 !   noesy.189
assign (resid 4 and name HN) (resid 4 and name HA#)  2.80 1.00 0.5 !   noesy.4
assign (resid 4 and name HN) (resid 3 and name HA)  3.40 1.60 0.5 !   noesy.45
assign (resid 4 and name HN) (resid 1 and name HB#)  5.00 3.20 0.5 !   noesy.56
assign (resid 4 and name HN) (resid 2 and name HB)  5.00 3.20 0.5 !   noesy.57
assign (resid 4 and name HN) (resid 6 and name HB#)  5.00 3.20 0.5 !   noesy.60
assign (resid 4 and name HN) (resid 2 and name HG##)  5.00 3.20 0.5 !   noesy.61
assign (resid 4 and name HN) (resid 5 and name HN)  2.80 1.00 0.5 !   noesy.174
assign (resid 4 and name HN) (resid 3 and name HN)  3.40 1.60 0.5 !   noesy.175
assign (resid 4 and name HN) (resid 1 and name HA)  5.00 3.20 0.5 !   noesy.190
assign (resid 4 and name HN) (resid 1 and name HG)  5.00 3.20 0.5 !   noesy.195
assign (resid 4 and name HN) (resid 2 and name HA)  3.40 1.60 0.5 !   noesy.196
assign (resid 5 and name HN) (resid 5 and name HA)  3.40 1.60 0.5 !   noesy.5
assign (resid 5 and name HN) (resid 5 and name HB#)  5.00 3.20 0.5 !   noesy.13
assign (resid 5 and name HN) (resid 5 and name HG#)  5.00 3.20 0.5 !   noesy.14
assign (resid 5 and name HE) (resid 5 and name HA)  5.00 3.20 0.5 !   noesy.21
assign (resid 5 and name HE) (resid 5 and name HG#)  2.80 1.00 0.5 !   noesy.22
assign (resid 5 and name HE) (resid 5 and name HB#)  3.40 1.60 0.5 !   noesy.23
assign (resid 5 and name HN) (resid 2 and name HA)  3.40 1.60 0.5 !   noesy.62
assign (resid 5 and name HN) (resid 6 and name HB#)  5.00 3.20 0.5 !   noesy.68
assign (resid 5 and name HN) (resid 3 and name HB#)  5.00 3.20 0.5 !   noesy.69
assign (resid 5 and name HG#) (resid 5 and name HB#)  2.80 1.00 0.5 !   noesy.83
assign (resid 5 and name HB#) (resid 8 and name HA#)  5.00 3.20 0.5 !   noesy.100
assign (resid 5 and name HB#) (resid 5 and name HG#)  2.80 1.00 0.5 !   noesy.101
assign (resid 5 and name HG#) (resid 8 and name HA#)  5.00 3.20 0.5 !   noesy.119
assign (resid 5 and name HG#) (resid 5 and name HE)  2.80 1.00 0.5 !   noesy.137
assign (resid 5 and name HB#) (resid 5 and name HN)  5.00 3.20 0.5 !   noesy.149
assign (resid 5 and name HB#) (resid 8 and name HN)  5.00 3.20 0.5 !   noesy.150
assign (resid 5 and name HB#) (resid 5 and name HE)  3.40 1.60 0.5 !   noesy.162
assign (resid 5 and name HN) (resid 4 and name HN)  2.80 1.00 0.5 !   noesy.180
assign (resid 5 and name HN) (resid 3 and name HA)  5.00 3.20 0.5 !   noesy.197
assign (resid 5 and name HN) (resid 1 and name HA)  5.00 3.20 0.5 !   noesy.198
assign (resid 5 and name HN) (resid 4 and name HA#)  5.00 3.20 0.5 !   noesy.202
assign (resid 6 and name HN) (resid 6 and name HA)  2.80 1.00 0.5 !   noesy.2
assign (resid 6 and name HN) (resid 2 and name HA)  5.00 3.20 0.5 !   noesy.47
assign (resid 6 and name HN) (resid 5 and name HB#)  5.00 3.20 0.5 !   noesy.51
assign (resid 6 and name HA) (resid 7 and name HN)  5.00 3.20 0.5 !   noesy.124
assign (resid 6 and name HB#) (resid 8 and name HN)  5.00 3.20 0.5 !   noesy.152
assign (resid 6 and name HB#) (resid 4 and name HN)  5.00 3.20 0.5 !   noesy.153
assign (resid 6 and name HB#) (resid 5 and name HN)  5.00 3.20 0.5 !   noesy.154
assign (resid 6 and name HN) (resid 3 and name HN)  5.00 3.20 0.5 !   noesy.176
assign (resid 6 and name HN) (resid 3 and name HA)  5.00 3.20 0.5 !   noesy.191
assign (resid 6 and name HN) (resid 4 and name HA#)  5.00 3.20 0.5 !   noesy.208
assign (resid 6 and name HN) (resid 5 and name HA)  3.40 1.60 0.5 !   noesy.213
assign (resid 6 and name HN) (resid 5 and name HN)  2.80 1.00 0.5 !   noesy.214
assign (resid 7 and name HN) (resid 7 and name HA)  2.80 1.00 0.5 !   noesy.6
assign (resid 7 and name HN) (resid 7 and name HB#)  5.00 3.20 0.5 !   noesy.17
assign (resid 7 and name HG#) (resid 7 and name HB#)  5.00 3.20 0.5 !   noesy.89
assign (resid 7 and name HA) (resid 7 and name HB#)  5.00 3.20 0.5 !   noesy.122
assign (resid 7 and name HA) (resid 7 and name HN)  2.80 1.00 0.5 !   noesy.125
assign (resid 7 and name HN) (resid 6 and name HN)  3.40 1.60 0.5 !   noesy.181
assign (resid 7 and name HN) (resid 9 and name HN)  5.00 3.20 0.5 !   noesy.187
assign (resid 7 and name HN) (resid 6 and name HA)  5.00 3.20 0.5 !   noesy.203
assign (resid 7 and name HN) (resid 5 and name HA)  5.00 3.20 0.5 !   noesy.209
assign (resid 7 and name HN) (resid 3 and name HA)  5.00 3.20 0.5 !   noesy.212***
assign (resid 8 and name HN) (resid 8 and name HA#)  2.80 1.00 0.5 !   noesy.3
assign (resid 8 and name HN) (resid 6 and name HB#)  5.00 3.20 0.5 !   noesy.11
assign (resid 8 and name HN) (resid 7 and name HA)  5.00 3.20 0.5 !   noesy.46
assign (resid 8 and name HN) (resid 7 and name HB#)  5.00 3.20 0.5 !   noesy.49
assign (resid 8 and name HN) (resid 5 and name HB#)  5.00 3.20 0.5 !   noesy.52
assign (resid 8 and name HA#) (resid 9 and name HN)  5.00 3.20 0.5 !   noesy.126
assign (resid 8 and name HA#) (resid 8 and name HN)  2.80 1.00 0.5 !   noesy.133
assign (resid 8 and name HN) (resid 7 and name HN)  2.80 1.00 0.5 !   noesy.172
assign (resid 8 and name HN) (resid 9 and name HN)  5.00 3.20 0.5 !   noesy.173
assign (resid 8 and name HN) (resid 5 and name HA)  5.00 3.20 0.5 !   noesy.200
assign (resid 8 and name HN) (resid 6 and name HA)  5.00 3.20 0.5 !   noesy.205
assign (resid 8 and name HN) (resid 4 and name HA#)  5.00 3.20 0.5 !   noesy.210***
assign (resid 9 and name HN) (resid 9 and name HA)  5.00 3.20 0.5 !   noesy.25
assign (resid 9 and name HN) (resid 9 and name HG#)  5.00 3.20 0.5 !   noesy.18
assign (resid 9 and name HN) (resid 9 and name HB#)  5.00 3.20 0.5 !   noesy.19
assign (resid 9 and name HN) (resid 7 and name HB#)  5.00 3.20 0.5 !   noesy.20
assign (resid 9 and name HN) (resid 8 and name HA#)  5.00 3.20 0.5 !   noesy.66
assign (resid 9 and name HN) (resid 5 and name HB#)  5.00 3.20 0.5 !   noesy.70
assign (resid 9 and name HG#) (resid 9 and name HB#)  5.00 3.20 0.5 !   noesy.86
assign (resid 9 and name HG#) (resid 7 and name HB#)  5.00 3.20 0.5 !   noesy.88
assign (resid 9 and name HB#) (resid 7 and name HG#)  5.00 3.20 0.5 !   noesy.102
assign (resid 9 and name HB#) (resid 9 and name HG#)  5.00 3.20 0.5 !   noesy.113
assign (resid 9 and name HG#) (resid 9 and name HN)  5.00 3.20 0.5 !   noesy.142
assign (resid 9 and name HB#) (resid 9 and name HN)  5.00 3.20 0.5 !   noesy.145
assign (resid 9 and name HN) (resid 8 and name HN)  5.00 3.20 0.5 !   noesy.179
assign (resid 9 and name HN) (resid 7 and name HA)  5.00 3.20 0.5 !   noesy.194
assign (resid 9 and name HN) (resid 5 and name HA)  5.00 3.20 0.5 !   noesy.206


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   SER   1           HT1      SER   1   4.373   1.596  -6.191
    2    H2   SER   1           HT2      SER   1   2.929   2.186  -6.863
    3    H3   SER   1           HT3      SER   1   2.929   1.507  -5.306
    4    HA   SER   1           HA       SER   1   4.156   4.081  -6.146
    5    HB2  SER   1           HB2      SER   1   1.607   3.471  -5.511
    6    HB3  SER   1           HB1      SER   1   2.251   3.687  -3.886
    7    HG   SER   1           HG       SER   1   3.077   5.731  -4.647
    8    H    VAL   2           HN       VAL   2   5.122   5.236  -4.248
    9    HA   VAL   2           HA       VAL   2   7.083   3.678  -2.878
   10    HB   VAL   2           HB       VAL   2   5.915   6.412  -2.260
   11   HG11  VAL   2          HG11      VAL   2   8.757   5.941  -1.721
   12   HG12  VAL   2          HG12      VAL   2   7.704   4.913  -0.750
   13   HG13  VAL   2          HG13      VAL   2   7.524   6.665  -0.688
   14   HG21  VAL   2          HG21      VAL   2   6.702   6.709  -4.406
   15   HG22  VAL   2          HG22      VAL   2   7.838   5.366  -4.287
   16   HG23  VAL   2          HG23      VAL   2   8.224   6.915  -3.538
   17    H    ALA   3           HN       ALA   3   3.757   4.376  -2.105
   18    HA   ALA   3           HA       ALA   3   3.725   4.149   0.713
   19    HB1  ALA   3           HB1      ALA   3   1.759   3.107  -1.353
   20    HB2  ALA   3           HB2      ALA   3   1.823   4.762  -0.747
   21    HB3  ALA   3           HB3      ALA   3   1.385   3.442   0.337
   22    H    GLY   4           HN       GLY   4   4.480   1.745  -1.670
   23    HA2  GLY   4           HA2      GLY   4   3.750  -0.580  -0.100
   24    HA3  GLY   4           HA1      GLY   4   4.813  -0.581  -1.508
   25    H    ARG   5           HN       ARG   5   6.634   1.426  -0.411
   26    HA   ARG   5           HA       ARG   5   8.184  -0.376   1.363
   27    HB2  ARG   5           HB2      ARG   5   8.750   2.161  -0.189
   28    HB3  ARG   5           HB1      ARG   5   9.943   1.417   0.877
   29    HG2  ARG   5           HG2      ARG   5   9.824  -0.670  -0.406
   30    HG3  ARG   5           HG1      ARG   5   8.582   0.025  -1.450
   31    HD2  ARG   5           HD2      ARG   5  10.681   0.251  -2.627
   32    HD3  ARG   5           HD1      ARG   5  10.279   1.867  -2.009
   33    HE   ARG   5           HE       ARG   5  11.703   0.716   0.067
   34   HH11  ARG   5          HH21      ARG   5  12.262   1.219  -3.323
   35   HH12  ARG   5          HH22      ARG   5  13.980   1.338  -3.141
   36   HH21  ARG   5          HH11      ARG   5  13.935   0.874   0.290
   37   HH22  ARG   5          HH12      ARG   5  14.923   1.144  -1.107
   38    H    ALA   6           HN       ALA   6   5.979   2.157   1.747
   39    HA   ALA   6           HA       ALA   6   7.062   3.841   3.732
   40    HB1  ALA   6           HB1      ALA   6   4.273   2.663   3.463
   41    HB2  ALA   6           HB2      ALA   6   4.864   4.105   2.639
   42    HB3  ALA   6           HB3      ALA   6   4.677   4.106   4.392
   43    H    GLN   7           HN       GLN   7   5.914   0.524   3.954
   44    HA   GLN   7           HA       GLN   7   6.480   0.514   6.896
   45    HB2  GLN   7           HB2      GLN   7   4.188  -0.077   6.133
   46    HB3  GLN   7           HB1      GLN   7   4.867  -1.368   5.139
   47    HG2  GLN   7           HG2      GLN   7   5.869  -2.352   7.228
   48    HG3  GLN   7           HG1      GLN   7   4.975  -1.149   8.158
   49   HE21  GLN   7          HE21      GLN   7   4.652  -4.190   7.990
   50   HE22  GLN   7          HE22      GLN   7   3.014  -4.418   7.607
   51    H    GLY   8           HN       GLY   8   7.339  -0.849   3.785
   52    HA2  GLY   8           HA2      GLY   8   9.549  -1.817   3.431
   53    HA3  GLY   8           HA1      GLY   8   9.540  -2.357   5.111
   54    H    MET   9           HN       MET   9   7.112  -2.710   2.516
   55    HA   MET   9           HA       MET   9   7.382  -5.683   2.790
   56    HB2  MET   9           HB2      MET   9   5.246  -3.947   3.584
   57    HB3  MET   9           HB1      MET   9   4.677  -4.919   2.226
   58    HG2  MET   9           HG2      MET   9   6.191  -6.258   4.443
   59    HG3  MET   9           HG1      MET   9   4.490  -5.859   4.683
   60    HE1  MET   9           HE1      MET   9   4.806  -8.860   4.953
   61    HE2  MET   9           HE2      MET   9   6.436  -8.475   4.409
   62    HE3  MET   9           HE3      MET   9   5.506  -9.716   3.573
   63    HN1  NH2  10           H1       NH2  10   6.685  -6.850   0.791
   64    HN2  NH2  10           H2       NH2  10   6.650  -6.047  -0.704
  Start of MODEL    2
    1    H1   SER   1           HT1      SER   1   4.285   1.831  -6.784
    2    H2   SER   1           HT2      SER   1   5.148   1.258  -5.437
    3    H3   SER   1           HT3      SER   1   5.807   2.482  -6.413
    4    HA   SER   1           HA       SER   1   4.153   4.050  -5.700
    5    HB2  SER   1           HB2      SER   1   3.032   1.767  -4.062
    6    HB3  SER   1           HB1      SER   1   2.282   3.326  -4.393
    7    HG   SER   1           HG       SER   1   1.438   1.689  -5.736
    8    H    VAL   2           HN       VAL   2   4.259   5.132  -3.575
    9    HA   VAL   2           HA       VAL   2   6.740   4.591  -2.165
   10    HB   VAL   2           HB       VAL   2   5.711   6.830  -2.611
   11   HG11  VAL   2          HG11      VAL   2   3.767   7.562  -1.464
   12   HG12  VAL   2          HG12      VAL   2   3.806   6.191  -0.356
   13   HG13  VAL   2          HG13      VAL   2   3.355   5.948  -2.043
   14   HG21  VAL   2          HG21      VAL   2   5.842   7.488  -0.006
   15   HG22  VAL   2          HG22      VAL   2   7.279   7.090  -0.947
   16   HG23  VAL   2          HG23      VAL   2   6.537   5.869   0.086
   17    H    ALA   3           HN       ALA   3   3.303   4.032  -1.493
   18    HA   ALA   3           HA       ALA   3   3.504   3.312   1.261
   19    HB1  ALA   3           HB1      ALA   3   1.652   2.790  -1.039
   20    HB2  ALA   3           HB2      ALA   3   1.340   3.646   0.471
   21    HB3  ALA   3           HB3      ALA   3   1.410   1.884   0.455
   22    H    GLY   4           HN       GLY   4   4.345   1.572  -1.661
   23    HA2  GLY   4           HA2      GLY   4   4.262  -1.097  -0.652
   24    HA3  GLY   4           HA1      GLY   4   5.296  -0.552  -1.973
   25    H    ARG   5           HN       ARG   5   6.777   1.404  -0.507
   26    HA   ARG   5           HA       ARG   5   8.390  -0.414   1.242
   27    HB2  ARG   5           HB2      ARG   5   9.029   1.949  -0.529
   28    HB3  ARG   5           HB1      ARG   5  10.191   1.310   0.635
   29    HG2  ARG   5           HG2      ARG   5  10.787  -0.000  -1.151
   30    HG3  ARG   5           HG1      ARG   5   9.463  -0.996  -0.548
   31    HD2  ARG   5           HD2      ARG   5   8.295  -0.666  -2.458
   32    HD3  ARG   5           HD1      ARG   5   8.422   1.094  -2.270
   33    HE   ARG   5           HE       ARG   5  10.267   1.062  -3.740
   34   HH11  ARG   5          HH21      ARG   5   9.634  -2.104  -2.468
   35   HH12  ARG   5          HH22      ARG   5  10.817  -2.872  -3.472
   36   HH21  ARG   5          HH11      ARG   5  11.803   0.053  -5.040
   37   HH22  ARG   5          HH12      ARG   5  12.039  -1.658  -4.920
   38    H    ALA   6           HN       ALA   6   6.246   2.192   1.412
   39    HA   ALA   6           HA       ALA   6   7.367   4.007   3.256
   40    HB1  ALA   6           HB1      ALA   6   5.136   4.113   2.097
   41    HB2  ALA   6           HB2      ALA   6   5.034   4.466   3.822
   42    HB3  ALA   6           HB3      ALA   6   4.544   2.885   3.215
   43    H    GLN   7           HN       GLN   7   5.950   0.807   3.783
   44    HA   GLN   7           HA       GLN   7   6.741   0.955   6.668
   45    HB2  GLN   7           HB2      GLN   7   5.041  -0.853   6.920
   46    HB3  GLN   7           HB1      GLN   7   4.348   0.610   6.221
   47    HG2  GLN   7           HG2      GLN   7   4.286  -0.321   4.045
   48    HG3  GLN   7           HG1      GLN   7   5.401  -1.618   4.476
   49   HE21  GLN   7          HE21      GLN   7   2.042  -0.510   4.802
   50   HE22  GLN   7          HE22      GLN   7   1.425  -1.993   5.351
   51    H    GLY   8           HN       GLY   8   7.287  -0.630   3.621
   52    HA2  GLY   8           HA2      GLY   8   9.322  -1.904   3.238
   53    HA3  GLY   8           HA1      GLY   8   9.306  -2.379   4.936
   54    H    MET   9           HN       MET   9   6.802  -2.513   2.388
   55    HA   MET   9           HA       MET   9   6.559  -5.453   2.954
   56    HB2  MET   9           HB2      MET   9   4.134  -5.105   2.510
   57    HB3  MET   9           HB1      MET   9   4.701  -4.109   3.851
   58    HG2  MET   9           HG2      MET   9   4.811  -2.152   2.452
   59    HG3  MET   9           HG1      MET   9   4.526  -3.108   0.998
   60    HE1  MET   9           HE1      MET   9   1.302  -4.141   0.684
   61    HE2  MET   9           HE2      MET   9   2.884  -3.677   0.063
   62    HE3  MET   9           HE3      MET   9   1.574  -2.498   0.086
   63    HN1  NH2  10           H1       NH2  10   4.776  -6.046   0.825
   64    HN2  NH2  10           H2       NH2  10   5.556  -5.777  -0.658
  Start of MODEL    3
    1    H1   SER   1           HT1      SER   1   4.821   0.859  -5.943
    2    H2   SER   1           HT2      SER   1   3.260   1.300  -6.451
    3    H3   SER   1           HT3      SER   1   3.559   0.955  -4.814
    4    HA   SER   1           HA       SER   1   4.789   3.228  -6.290
    5    HB2  SER   1           HB2      SER   1   3.052   4.559  -5.308
    6    HB3  SER   1           HB1      SER   1   2.247   3.163  -6.018
    7    HG   SER   1           HG       SER   1   2.228   2.212  -3.956
    8    H    VAL   2           HN       VAL   2   5.106   4.933  -4.291
    9    HA   VAL   2           HA       VAL   2   7.207   3.847  -2.656
   10    HB   VAL   2           HB       VAL   2   5.564   6.391  -2.438
   11   HG11  VAL   2          HG11      VAL   2   6.872   5.789  -0.383
   12   HG12  VAL   2          HG12      VAL   2   7.431   7.273  -1.154
   13   HG13  VAL   2          HG13      VAL   2   8.335   5.775  -1.369
   14   HG21  VAL   2          HG21      VAL   2   8.040   5.607  -3.980
   15   HG22  VAL   2          HG22      VAL   2   7.702   7.293  -3.585
   16   HG23  VAL   2          HG23      VAL   2   6.572   6.377  -4.583
   17    H    ALA   3           HN       ALA   3   3.751   4.262  -2.163
   18    HA   ALA   3           HA       ALA   3   3.631   4.088   0.680
   19    HB1  ALA   3           HB1      ALA   3   1.859   4.560  -1.198
   20    HB2  ALA   3           HB2      ALA   3   1.337   3.769   0.289
   21    HB3  ALA   3           HB3      ALA   3   1.624   2.812  -1.164
   22    H    GLY   4           HN       GLY   4   4.569   1.730  -1.652
   23    HA2  GLY   4           HA2      GLY   4   3.768  -0.609  -0.096
   24    HA3  GLY   4           HA1      GLY   4   4.814  -0.619  -1.517
   25    H    ARG   5           HN       ARG   5   6.611   1.438  -0.371
   26    HA   ARG   5           HA       ARG   5   8.191  -0.390   1.359
   27    HB2  ARG   5           HB2      ARG   5   8.785   2.184  -0.128
   28    HB3  ARG   5           HB1      ARG   5   9.980   1.308   0.829
   29    HG2  ARG   5           HG2      ARG   5  10.216  -0.332  -0.731
   30    HG3  ARG   5           HG1      ARG   5   8.493  -0.358  -1.104
   31    HD2  ARG   5           HD2      ARG   5   8.976   0.760  -3.017
   32    HD3  ARG   5           HD1      ARG   5   9.435   2.153  -2.016
   33    HE   ARG   5           HE       ARG   5  11.643   0.491  -1.861
   34   HH11  ARG   5          HH21      ARG   5   9.778   1.875  -4.443
   35   HH12  ARG   5          HH22      ARG   5  11.120   1.941  -5.533
   36   HH21  ARG   5          HH11      ARG   5  13.379   0.583  -3.287
   37   HH22  ARG   5          HH12      ARG   5  13.149   1.213  -4.884
   38    H    ALA   6           HN       ALA   6   6.038   2.213   1.730
   39    HA   ALA   6           HA       ALA   6   7.150   3.862   3.718
   40    HB1  ALA   6           HB1      ALA   6   4.747   3.557   2.479
   41    HB2  ALA   6           HB2      ALA   6   4.976   4.585   3.894
   42    HB3  ALA   6           HB3      ALA   6   4.346   2.949   4.085
   43    H    GLN   7           HN       GLN   7   5.924   0.572   3.952
   44    HA   GLN   7           HA       GLN   7   6.523   0.557   6.889
   45    HB2  GLN   7           HB2      GLN   7   4.988  -1.411   6.885
   46    HB3  GLN   7           HB1      GLN   7   4.206   0.035   6.248
   47    HG2  GLN   7           HG2      GLN   7   4.410  -0.716   3.999
   48    HG3  GLN   7           HG1      GLN   7   5.565  -1.972   4.443
   49   HE21  GLN   7          HE21      GLN   7   4.383  -3.296   6.535
   50   HE22  GLN   7          HE22      GLN   7   2.868  -3.919   6.089
   51    H    GLY   8           HN       GLY   8   7.350  -0.788   3.776
   52    HA2  GLY   8           HA2      GLY   8   9.555  -1.809   3.469
   53    HA3  GLY   8           HA1      GLY   8   9.433  -2.458   5.105
   54    H    MET   9           HN       MET   9   7.131  -2.514   2.374
   55    HA   MET   9           HA       MET   9   7.060  -5.502   2.646
   56    HB2  MET   9           HB2      MET   9   5.045  -3.357   2.487
   57    HB3  MET   9           HB1      MET   9   4.717  -4.718   1.413
   58    HG2  MET   9           HG2      MET   9   5.368  -6.108   3.606
   59    HG3  MET   9           HG1      MET   9   4.809  -4.634   4.396
   60    HE1  MET   9           HE1      MET   9   4.053  -6.587   1.227
   61    HE2  MET   9           HE2      MET   9   2.444  -7.260   1.468
   62    HE3  MET   9           HE3      MET   9   3.796  -7.861   2.425
   63    HN1  NH2  10           H1       NH2  10   7.400  -6.689   0.709
   64    HN2  NH2  10           H2       NH2  10   7.615  -5.981  -0.818
  Start of MODEL    4
    1    H1   SER   1           HT1      SER   1   3.705   0.199  -5.848
    2    H2   SER   1           HT2      SER   1   3.912   0.328  -4.167
    3    H3   SER   1           HT3      SER   1   5.251   0.028  -5.169
    4    HA   SER   1           HA       SER   1   5.090   2.212  -6.148
    5    HB2  SER   1           HB2      SER   1   3.237   3.680  -5.251
    6    HB3  SER   1           HB1      SER   1   2.668   2.300  -6.187
    7    HG   SER   1           HG       SER   1   1.722   1.586  -4.457
    8    H    VAL   2           HN       VAL   2   5.085   4.412  -4.595
    9    HA   VAL   2           HA       VAL   2   7.262   4.088  -2.796
   10    HB   VAL   2           HB       VAL   2   6.584   6.188  -3.913
   11   HG11  VAL   2          HG11      VAL   2   4.078   5.660  -3.472
   12   HG12  VAL   2          HG12      VAL   2   4.597   7.344  -3.392
   13   HG13  VAL   2          HG13      VAL   2   4.346   6.428  -1.907
   14   HG21  VAL   2          HG21      VAL   2   7.940   6.277  -1.830
   15   HG22  VAL   2          HG22      VAL   2   6.454   6.392  -0.887
   16   HG23  VAL   2          HG23      VAL   2   6.898   7.689  -1.996
   17    H    ALA   3           HN       ALA   3   3.753   4.181  -2.188
   18    HA   ALA   3           HA       ALA   3   3.893   4.183   0.682
   19    HB1  ALA   3           HB1      ALA   3   1.614   4.138   0.460
   20    HB2  ALA   3           HB2      ALA   3   1.657   2.783  -0.668
   21    HB3  ALA   3           HB3      ALA   3   1.974   4.420  -1.243
   22    H    GLY   4           HN       GLY   4   4.377   1.685  -1.697
   23    HA2  GLY   4           HA2      GLY   4   3.741  -0.605  -0.100
   24    HA3  GLY   4           HA1      GLY   4   4.845  -0.606  -1.477
   25    H    ARG   5           HN       ARG   5   6.686   1.340  -0.439
   26    HA   ARG   5           HA       ARG   5   8.161  -0.406   1.439
   27    HB2  ARG   5           HB2      ARG   5   8.709   1.953  -0.325
   28    HB3  ARG   5           HB1      ARG   5   9.828   1.609   0.995
   29    HG2  ARG   5           HG2      ARG   5   9.627  -0.870   0.027
   30    HG3  ARG   5           HG1      ARG   5   9.236   0.006  -1.454
   31    HD2  ARG   5           HD2      ARG   5  11.602  -0.202  -1.533
   32    HD3  ARG   5           HD1      ARG   5  11.356   1.434  -0.889
   33    HE   ARG   5           HE       ARG   5  11.359  -0.460   1.271
   34   HH11  ARG   5          HH21      ARG   5  13.443   1.100  -1.024
   35   HH12  ARG   5          HH22      ARG   5  14.836   1.008  -0.000
   36   HH21  ARG   5          HH11      ARG   5  13.176  -0.576   2.594
   37   HH22  ARG   5          HH12      ARG   5  14.686   0.064   2.037
   38    H    ALA   6           HN       ALA   6   5.892   2.039   1.777
   39    HA   ALA   6           HA       ALA   6   6.882   3.831   3.706
   40    HB1  ALA   6           HB1      ALA   6   4.172   2.614   4.061
   41    HB2  ALA   6           HB2      ALA   6   4.522   3.380   2.513
   42    HB3  ALA   6           HB3      ALA   6   4.632   4.315   4.004
   43    H    GLN   7           HN       GLN   7   5.854   0.475   4.055
   44    HA   GLN   7           HA       GLN   7   6.639   0.550   6.947
   45    HB2  GLN   7           HB2      GLN   7   5.153  -1.458   7.092
   46    HB3  GLN   7           HB1      GLN   7   4.296  -0.028   6.515
   47    HG2  GLN   7           HG2      GLN   7   5.535  -1.602   4.361
   48    HG3  GLN   7           HG1      GLN   7   4.297  -2.481   5.255
   49   HE21  GLN   7          HE21      GLN   7   4.652  -0.518   2.602
   50   HE22  GLN   7          HE22      GLN   7   3.105   0.180   2.557
   51    H    GLY   8           HN       GLY   8   7.355  -0.763   3.813
   52    HA2  GLY   8           HA2      GLY   8   9.583  -1.743   3.455
   53    HA3  GLY   8           HA1      GLY   8   9.463  -2.477   5.055
   54    H    MET   9           HN       MET   9   6.754  -2.448   2.826
   55    HA   MET   9           HA       MET   9   7.231  -5.044   1.644
   56    HB2  MET   9           HB2      MET   9   5.588  -6.288   3.048
   57    HB3  MET   9           HB1      MET   9   6.965  -5.722   3.992
   58    HG2  MET   9           HG2      MET   9   5.697  -3.870   4.873
   59    HG3  MET   9           HG1      MET   9   4.358  -4.195   3.772
   60    HE1  MET   9           HE1      MET   9   4.845  -4.045   7.166
   61    HE2  MET   9           HE2      MET   9   3.449  -5.018   7.618
   62    HE3  MET   9           HE3      MET   9   3.298  -3.814   6.341
   63    HN1  NH2  10           H1       NH2  10   5.588  -5.465   0.046
   64    HN2  NH2  10           H2       NH2  10   4.248  -4.451  -0.193
  Start of MODEL    5
    1    H1   SER   1           HT1      SER   1   7.242   0.456  -4.862
    2    H2   SER   1           HT2      SER   1   5.868   0.126  -5.806
    3    H3   SER   1           HT3      SER   1   5.760   0.114  -4.110
    4    HA   SER   1           HA       SER   1   6.402   2.528  -5.731
    5    HB2  SER   1           HB2      SER   1   4.032   3.096  -5.203
    6    HB3  SER   1           HB1      SER   1   4.160   1.635  -6.178
    7    HG   SER   1           HG       SER   1   3.170   0.657  -4.616
    8    H    VAL   2           HN       VAL   2   5.759   4.473  -4.246
    9    HA   VAL   2           HA       VAL   2   7.395   4.482  -1.914
   10    HB   VAL   2           HB       VAL   2   6.711   6.458  -3.241
   11   HG11  VAL   2          HG11      VAL   2   4.299   5.525  -3.470
   12   HG12  VAL   2          HG12      VAL   2   4.496   7.268  -3.293
   13   HG13  VAL   2          HG13      VAL   2   4.011   6.290  -1.908
   14   HG21  VAL   2          HG21      VAL   2   5.556   6.873  -0.494
   15   HG22  VAL   2          HG22      VAL   2   6.610   7.935  -1.427
   16   HG23  VAL   2          HG23      VAL   2   7.266   6.481  -0.676
   17    H    ALA   3           HN       ALA   3   3.899   3.967  -2.309
   18    HA   ALA   3           HA       ALA   3   3.327   3.875   0.539
   19    HB1  ALA   3           HB1      ALA   3   1.276   2.571  -0.701
   20    HB2  ALA   3           HB2      ALA   3   1.972   3.452  -2.062
   21    HB3  ALA   3           HB3      ALA   3   1.416   4.328  -0.637
   22    H    GLY   4           HN       GLY   4   4.707   1.637  -1.695
   23    HA2  GLY   4           HA2      GLY   4   3.857  -0.749  -0.191
   24    HA3  GLY   4           HA1      GLY   4   4.911  -0.736  -1.607
   25    H    ARG   5           HN       ARG   5   6.615   1.404  -0.401
   26    HA   ARG   5           HA       ARG   5   8.226  -0.397   1.341
   27    HB2  ARG   5           HB2      ARG   5   9.094   0.697  -0.776
   28    HB3  ARG   5           HB1      ARG   5   8.964   2.244   0.060
   29    HG2  ARG   5           HG2      ARG   5  10.394   1.188   1.908
   30    HG3  ARG   5           HG1      ARG   5  10.730  -0.105   0.758
   31    HD2  ARG   5           HD2      ARG   5  11.135   2.271  -0.697
   32    HD3  ARG   5           HD1      ARG   5  11.895   2.551   0.883
   33    HE   ARG   5           HE       ARG   5  12.764   0.598  -1.094
   34   HH11  ARG   5          HH21      ARG   5  12.529   1.330   2.291
   35   HH12  ARG   5          HH22      ARG   5  13.875   0.332   2.721
   36   HH21  ARG   5          HH11      ARG   5  14.511  -0.699  -0.523
   37   HH22  ARG   5          HH12      ARG   5  14.992  -0.812   1.137
   38    H    ALA   6           HN       ALA   6   6.035   2.178   1.661
   39    HA   ALA   6           HA       ALA   6   7.106   3.902   3.603
   40    HB1  ALA   6           HB1      ALA   6   4.967   4.510   3.038
   41    HB2  ALA   6           HB2      ALA   6   4.529   3.532   4.438
   42    HB3  ALA   6           HB3      ALA   6   4.451   2.838   2.819
   43    H    GLN   7           HN       GLN   7   5.957   0.593   3.923
   44    HA   GLN   7           HA       GLN   7   6.735   0.603   6.817
   45    HB2  GLN   7           HB2      GLN   7   5.166  -1.345   6.937
   46    HB3  GLN   7           HB1      GLN   7   4.368   0.124   6.375
   47    HG2  GLN   7           HG2      GLN   7   4.227  -0.632   4.170
   48    HG3  GLN   7           HG1      GLN   7   5.558  -1.772   4.371
   49   HE21  GLN   7          HE21      GLN   7   2.139  -1.485   4.398
   50   HE22  GLN   7          HE22      GLN   7   1.787  -3.009   5.058
   51    H    GLY   8           HN       GLY   8   7.459  -0.621   3.675
   52    HA2  GLY   8           HA2      GLY   8   9.405  -1.845   3.070
   53    HA3  GLY   8           HA1      GLY   8   9.666  -2.227   4.773
   54    H    MET   9           HN       MET   9   6.978  -2.784   2.477
   55    HA   MET   9           HA       MET   9   6.101  -5.240   3.598
   56    HB2  MET   9           HB2      MET   9   5.974  -3.945   0.875
   57    HB3  MET   9           HB1      MET   9   5.232  -5.520   1.157
   58    HG2  MET   9           HG2      MET   9   3.735  -4.651   2.777
   59    HG3  MET   9           HG1      MET   9   4.667  -3.165   2.959
   60    HE1  MET   9           HE1      MET   9   1.815  -4.383   2.334
   61    HE2  MET   9           HE2      MET   9   1.055  -3.858   0.834
   62    HE3  MET   9           HE3      MET   9   1.290  -2.704   2.143
   63    HN1  NH2  10           H1       NH2  10   6.392  -7.475   2.583
   64    HN2  NH2  10           H2       NH2  10   7.903  -7.880   1.922
  Start of MODEL    6
    1    H1   SER   1           HT1      SER   1   6.420  -0.211  -6.071
    2    H2   SER   1           HT2      SER   1   6.472  -0.275  -4.374
    3    H3   SER   1           HT3      SER   1   7.739   0.456  -5.239
    4    HA   SER   1           HA       SER   1   6.209   2.194  -6.020
    5    HB2  SER   1           HB2      SER   1   4.380   0.376  -4.468
    6    HB3  SER   1           HB1      SER   1   3.967   2.078  -4.659
    7    HG   SER   1           HG       SER   1   3.141   1.274  -6.456
    8    H    VAL   2           HN       VAL   2   5.292   3.926  -4.355
    9    HA   VAL   2           HA       VAL   2   7.344   4.301  -2.311
   10    HB   VAL   2           HB       VAL   2   4.800   5.815  -3.000
   11   HG11  VAL   2          HG11      VAL   2   7.206   7.056  -1.716
   12   HG12  VAL   2          HG12      VAL   2   6.094   6.138  -0.701
   13   HG13  VAL   2          HG13      VAL   2   5.511   7.532  -1.611
   14   HG21  VAL   2          HG21      VAL   2   6.778   5.442  -4.721
   15   HG22  VAL   2          HG22      VAL   2   7.579   6.672  -3.745
   16   HG23  VAL   2          HG23      VAL   2   6.048   7.038  -4.541
   17    H    ALA   3           HN       ALA   3   3.762   4.176  -2.127
   18    HA   ALA   3           HA       ALA   3   3.581   3.942   0.702
   19    HB1  ALA   3           HB1      ALA   3   1.297   3.262   0.219
   20    HB2  ALA   3           HB2      ALA   3   1.751   2.761  -1.411
   21    HB3  ALA   3           HB3      ALA   3   1.772   4.470  -0.975
   22    H    GLY   4           HN       GLY   4   4.555   1.625  -1.689
   23    HA2  GLY   4           HA2      GLY   4   3.868  -0.757  -0.175
   24    HA3  GLY   4           HA1      GLY   4   4.959  -0.694  -1.561
   25    H    ARG   5           HN       ARG   5   6.672   1.373  -0.385
   26    HA   ARG   5           HA       ARG   5   8.214  -0.397   1.443
   27    HB2  ARG   5           HB2      ARG   5   8.815   2.084  -0.181
   28    HB3  ARG   5           HB1      ARG   5   9.985   1.372   0.930
   29    HG2  ARG   5           HG2      ARG   5   9.713  -0.810  -0.295
   30    HG3  ARG   5           HG1      ARG   5   8.722   0.041  -1.481
   31    HD2  ARG   5           HD2      ARG   5  10.809   0.226  -2.501
   32    HD3  ARG   5           HD1      ARG   5  10.839   1.691  -1.500
   33    HE   ARG   5           HE       ARG   5  11.737  -0.537   0.063
   34   HH11  ARG   5          HH21      ARG   5  12.693   1.528  -2.557
   35   HH12  ARG   5          HH22      ARG   5  14.383   1.360  -2.229
   36   HH21  ARG   5          HH11      ARG   5  13.937  -0.750   0.482
   37   HH22  ARG   5          HH12      ARG   5  15.086   0.077  -0.518
   38    H    ALA   6           HN       ALA   6   5.963   2.079   1.742
   39    HA   ALA   6           HA       ALA   6   6.988   3.888   3.641
   40    HB1  ALA   6           HB1      ALA   6   4.638   3.525   2.452
   41    HB2  ALA   6           HB2      ALA   6   4.735   4.392   3.986
   42    HB3  ALA   6           HB3      ALA   6   4.251   2.696   3.960
   43    H    GLN   7           HN       GLN   7   5.988   0.538   4.021
   44    HA   GLN   7           HA       GLN   7   6.715   0.663   6.927
   45    HB2  GLN   7           HB2      GLN   7   5.224  -1.348   7.081
   46    HB3  GLN   7           HB1      GLN   7   4.378   0.084   6.496
   47    HG2  GLN   7           HG2      GLN   7   4.503  -0.686   4.213
   48    HG3  GLN   7           HG1      GLN   7   5.571  -2.015   4.666
   49   HE21  GLN   7          HE21      GLN   7   2.849  -2.181   3.409
   50   HE22  GLN   7          HE22      GLN   7   1.911  -3.110   4.476
   51    H    GLY   8           HN       GLY   8   7.305  -0.877   3.829
   52    HA2  GLY   8           HA2      GLY   8   9.605  -1.790   3.516
   53    HA3  GLY   8           HA1      GLY   8   9.459  -2.501   5.122
   54    H    MET   9           HN       MET   9   6.828  -2.506   2.780
   55    HA   MET   9           HA       MET   9   7.339  -5.135   1.695
   56    HB2  MET   9           HB2      MET   9   5.603  -6.323   3.050
   57    HB3  MET   9           HB1      MET   9   6.963  -5.775   4.028
   58    HG2  MET   9           HG2      MET   9   4.940  -3.704   3.842
   59    HG3  MET   9           HG1      MET   9   4.240  -5.201   4.451
   60    HE1  MET   9           HE1      MET   9   5.491  -5.739   7.836
   61    HE2  MET   9           HE2      MET   9   5.470  -6.664   6.336
   62    HE3  MET   9           HE3      MET   9   4.090  -5.656   6.760
   63    HN1  NH2  10           H1       NH2  10   5.795  -5.567   0.015
   64    HN2  NH2  10           H2       NH2  10   4.465  -4.563  -0.307
  Start of MODEL    7
    1    H1   SER   1           HT1      SER   1   5.335  -0.142  -4.596
    2    H2   SER   1           HT2      SER   1   6.884   0.271  -5.158
    3    H3   SER   1           HT3      SER   1   5.621   0.005  -6.261
    4    HA   SER   1           HA       SER   1   5.896   2.353  -6.111
    5    HB2  SER   1           HB2      SER   1   3.608   1.027  -5.871
    6    HB3  SER   1           HB1      SER   1   3.593   1.775  -4.276
    7    HG   SER   1           HG       SER   1   2.940   3.503  -5.261
    8    H    VAL   2           HN       VAL   2   5.234   4.213  -4.399
    9    HA   VAL   2           HA       VAL   2   7.301   4.248  -2.386
   10    HB   VAL   2           HB       VAL   2   4.829   5.961  -2.808
   11   HG11  VAL   2          HG11      VAL   2   6.612   7.641  -1.738
   12   HG12  VAL   2          HG12      VAL   2   7.202   6.151  -1.004
   13   HG13  VAL   2          HG13      VAL   2   5.540   6.671  -0.729
   14   HG21  VAL   2          HG21      VAL   2   7.536   5.831  -4.062
   15   HG22  VAL   2          HG22      VAL   2   6.845   7.429  -3.780
   16   HG23  VAL   2          HG23      VAL   2   5.986   6.260  -4.784
   17    H    ALA   3           HN       ALA   3   3.726   4.180  -2.081
   18    HA   ALA   3           HA       ALA   3   3.581   3.868   0.732
   19    HB1  ALA   3           HB1      ALA   3   1.896   3.328  -1.660
   20    HB2  ALA   3           HB2      ALA   3   1.530   4.284  -0.224
   21    HB3  ALA   3           HB3      ALA   3   1.407   2.525  -0.168
   22    H    GLY   4           HN       GLY   4   4.583   1.612  -1.712
   23    HA2  GLY   4           HA2      GLY   4   3.990  -0.814  -0.246
   24    HA3  GLY   4           HA1      GLY   4   5.096  -0.683  -1.615
   25    H    ARG   5           HN       ARG   5   6.742   1.396  -0.408
   26    HA   ARG   5           HA       ARG   5   8.305  -0.342   1.432
   27    HB2  ARG   5           HB2      ARG   5   8.829   2.092  -0.266
   28    HB3  ARG   5           HB1      ARG   5   9.981   1.598   0.975
   29    HG2  ARG   5           HG2      ARG   5  10.074  -0.666  -0.051
   30    HG3  ARG   5           HG1      ARG   5   8.997  -0.107  -1.330
   31    HD2  ARG   5           HD2      ARG   5  11.011   1.835  -1.261
   32    HD3  ARG   5           HD1      ARG   5  11.874   0.297  -1.057
   33    HE   ARG   5           HE       ARG   5   9.840   0.058  -3.092
   34   HH11  ARG   5          HH21      ARG   5  13.000   1.337  -2.440
   35   HH12  ARG   5          HH22      ARG   5  13.514   1.224  -4.089
   36   HH21  ARG   5          HH11      ARG   5  10.517  -0.082  -5.232
   37   HH22  ARG   5          HH12      ARG   5  12.116   0.427  -5.663
   38    H    ALA   6           HN       ALA   6   5.952   2.003   1.757
   39    HA   ALA   6           HA       ALA   6   6.878   3.879   3.636
   40    HB1  ALA   6           HB1      ALA   6   4.301   2.452   3.071
   41    HB2  ALA   6           HB2      ALA   6   4.679   4.169   2.922
   42    HB3  ALA   6           HB3      ALA   6   4.397   3.462   4.514
   43    H    GLN   7           HN       GLN   7   5.887   0.511   4.121
   44    HA   GLN   7           HA       GLN   7   6.828   0.679   6.963
   45    HB2  GLN   7           HB2      GLN   7   5.327  -1.291   7.269
   46    HB3  GLN   7           HB1      GLN   7   4.455   0.112   6.655
   47    HG2  GLN   7           HG2      GLN   7   4.345  -0.774   4.460
   48    HG3  GLN   7           HG1      GLN   7   5.601  -1.967   4.790
   49   HE21  GLN   7          HE21      GLN   7   4.943  -3.528   6.729
   50   HE22  GLN   7          HE22      GLN   7   3.343  -4.092   6.695
   51    H    GLY   8           HN       GLY   8   7.312  -0.797   3.848
   52    HA2  GLY   8           HA2      GLY   8   9.522  -1.794   3.390
   53    HA3  GLY   8           HA1      GLY   8   9.493  -2.467   5.021
   54    H    MET   9           HN       MET   9   6.846  -2.455   2.652
   55    HA   MET   9           HA       MET   9   6.484  -5.352   3.031
   56    HB2  MET   9           HB2      MET   9   5.043  -3.019   1.899
   57    HB3  MET   9           HB1      MET   9   4.693  -4.567   1.131
   58    HG2  MET   9           HG2      MET   9   4.749  -4.533   4.108
   59    HG3  MET   9           HG1      MET   9   3.387  -3.727   3.329
   60    HE1  MET   9           HE1      MET   9   1.767  -4.694   3.970
   61    HE2  MET   9           HE2      MET   9   1.547  -6.393   4.383
   62    HE3  MET   9           HE3      MET   9   1.012  -5.800   2.813
   63    HN1  NH2  10           H1       NH2  10   7.817  -3.184   0.556
   64    HN2  NH2  10           H2       NH2  10   8.227  -4.400  -0.554
  Start of MODEL    8
    1    H1   SER   1           HT1      SER   1   3.902   0.188  -4.479
    2    H2   SER   1           HT2      SER   1   5.184   0.180  -5.594
    3    H3   SER   1           HT3      SER   1   3.576   0.216  -6.143
    4    HA   SER   1           HA       SER   1   4.584   2.415  -6.334
    5    HB2  SER   1           HB2      SER   1   2.215   2.269  -6.004
    6    HB3  SER   1           HB1      SER   1   2.411   1.874  -4.298
    7    HG   SER   1           HG       SER   1   2.001   3.995  -4.257
    8    H    VAL   2           HN       VAL   2   4.715   4.428  -4.626
    9    HA   VAL   2           HA       VAL   2   7.127   4.021  -3.110
   10    HB   VAL   2           HB       VAL   2   5.035   6.221  -3.090
   11   HG11  VAL   2          HG11      VAL   2   7.742   5.933  -1.831
   12   HG12  VAL   2          HG12      VAL   2   6.287   6.697  -1.190
   13   HG13  VAL   2          HG13      VAL   2   7.244   7.517  -2.423
   14   HG21  VAL   2          HG21      VAL   2   6.480   5.430  -5.218
   15   HG22  VAL   2          HG22      VAL   2   7.679   6.469  -4.447
   16   HG23  VAL   2          HG23      VAL   2   6.110   7.127  -4.913
   17    H    ALA   3           HN       ALA   3   3.716   4.447  -2.115
   18    HA   ALA   3           HA       ALA   3   4.117   4.342   0.702
   19    HB1  ALA   3           HB1      ALA   3   1.977   4.969   0.171
   20    HB2  ALA   3           HB2      ALA   3   1.658   3.241   0.332
   21    HB3  ALA   3           HB3      ALA   3   1.929   3.943  -1.264
   22    H    GLY   4           HN       GLY   4   4.434   1.867  -1.685
   23    HA2  GLY   4           HA2      GLY   4   3.725  -0.432  -0.134
   24    HA3  GLY   4           HA1      GLY   4   4.842  -0.439  -1.499
   25    H    ARG   5           HN       ARG   5   6.708   1.454  -0.389
   26    HA   ARG   5           HA       ARG   5   8.160  -0.367   1.423
   27    HB2  ARG   5           HB2      ARG   5   9.168   0.805  -0.548
   28    HB3  ARG   5           HB1      ARG   5   8.890   2.342   0.271
   29    HG2  ARG   5           HG2      ARG   5  10.271   1.497   2.191
   30    HG3  ARG   5           HG1      ARG   5  10.651   0.069   1.229
   31    HD2  ARG   5           HD2      ARG   5  11.091   2.641  -0.174
   32    HD3  ARG   5           HD1      ARG   5  12.171   2.341   1.202
   33    HE   ARG   5           HE       ARG   5  12.036  -0.089  -0.199
   34   HH11  ARG   5          HH21      ARG   5  13.009   3.186  -0.811
   35   HH12  ARG   5          HH22      ARG   5  14.198   2.738  -1.985
   36   HH21  ARG   5          HH11      ARG   5  13.586  -0.661  -1.727
   37   HH22  ARG   5          HH12      ARG   5  14.524   0.573  -2.502
   38    H    ALA   6           HN       ALA   6   5.947   2.179   1.794
   39    HA   ALA   6           HA       ALA   6   6.889   3.794   3.880
   40    HB1  ALA   6           HB1      ALA   6   4.644   3.744   2.616
   41    HB2  ALA   6           HB2      ALA   6   4.567   4.162   4.327
   42    HB3  ALA   6           HB3      ALA   6   4.136   2.537   3.796
   43    H    GLN   7           HN       GLN   7   5.856   0.438   3.955
   44    HA   GLN   7           HA       GLN   7   6.415   0.317   6.897
   45    HB2  GLN   7           HB2      GLN   7   4.121  -0.274   5.912
   46    HB3  GLN   7           HB1      GLN   7   4.911  -1.667   5.171
   47    HG2  GLN   7           HG2      GLN   7   4.086  -2.521   7.211
   48    HG3  GLN   7           HG1      GLN   7   5.783  -2.182   7.557
   49   HE21  GLN   7          HE21      GLN   7   5.586  -1.629   9.788
   50   HE22  GLN   7          HE22      GLN   7   4.673  -0.310  10.340
   51    H    GLY   8           HN       GLY   8   7.391  -0.753   3.738
   52    HA2  GLY   8           HA2      GLY   8   9.465  -1.800   3.212
   53    HA3  GLY   8           HA1      GLY   8   9.669  -2.203   4.918
   54    H    MET   9           HN       MET   9   7.139  -2.903   2.486
   55    HA   MET   9           HA       MET   9   7.596  -5.819   2.936
   56    HB2  MET   9           HB2      MET   9   5.266  -4.136   3.688
   57    HB3  MET   9           HB1      MET   9   4.883  -5.687   2.942
   58    HG2  MET   9           HG2      MET   9   6.586  -6.687   4.613
   59    HG3  MET   9           HG1      MET   9   6.428  -5.158   5.477
   60    HE1  MET   9           HE1      MET   9   6.100  -7.446   6.884
   61    HE2  MET   9           HE2      MET   9   5.185  -8.647   5.976
   62    HE3  MET   9           HE3      MET   9   4.481  -7.919   7.419
   63    HN1  NH2  10           H1       NH2  10   8.255  -4.262   0.575
   64    HN2  NH2  10           H2       NH2  10   7.221  -4.746  -0.681
  Start of MODEL    9
    1    H1   SER   1           HT1      SER   1   5.283   1.982  -6.872
    2    H2   SER   1           HT2      SER   1   3.639   1.858  -7.281
    3    H3   SER   1           HT3      SER   1   4.224   1.123  -5.865
    4    HA   SER   1           HA       SER   1   3.978   4.039  -6.397
    5    HB2  SER   1           HB2      SER   1   2.296   3.880  -4.669
    6    HB3  SER   1           HB1      SER   1   1.971   2.594  -5.829
    7    HG   SER   1           HG       SER   1   2.765   2.467  -3.202
    8    H    VAL   2           HN       VAL   2   4.030   4.837  -3.778
    9    HA   VAL   2           HA       VAL   2   6.821   4.150  -2.936
   10    HB   VAL   2           HB       VAL   2   5.045   6.554  -2.400
   11   HG11  VAL   2          HG11      VAL   2   6.682   7.403  -1.050
   12   HG12  VAL   2          HG12      VAL   2   7.980   6.688  -2.007
   13   HG13  VAL   2          HG13      VAL   2   7.105   5.705  -0.833
   14   HG21  VAL   2          HG21      VAL   2   6.083   7.615  -4.168
   15   HG22  VAL   2          HG22      VAL   2   6.153   5.959  -4.768
   16   HG23  VAL   2          HG23      VAL   2   7.566   6.677  -3.995
   17    H    ALA   3           HN       ALA   3   3.475   4.414  -1.834
   18    HA   ALA   3           HA       ALA   3   3.888   4.124   0.974
   19    HB1  ALA   3           HB1      ALA   3   1.727   3.722  -1.028
   20    HB2  ALA   3           HB2      ALA   3   1.713   4.663   0.464
   21    HB3  ALA   3           HB3      ALA   3   1.504   2.913   0.523
   22    H    GLY   4           HN       GLY   4   4.414   1.890  -1.593
   23    HA2  GLY   4           HA2      GLY   4   3.841  -0.572  -0.230
   24    HA3  GLY   4           HA1      GLY   4   4.934  -0.401  -1.604
   25    H    ARG   5           HN       ARG   5   6.674   1.541  -0.316
   26    HA   ARG   5           HA       ARG   5   8.182  -0.350   1.417
   27    HB2  ARG   5           HB2      ARG   5   9.231   0.690  -0.572
   28    HB3  ARG   5           HB1      ARG   5   8.934   2.286   0.119
   29    HG2  ARG   5           HG2      ARG   5  10.622   2.088   1.648
   30    HG3  ARG   5           HG1      ARG   5  10.342   0.362   1.883
   31    HD2  ARG   5           HD2      ARG   5  12.509   0.709   0.765
   32    HD3  ARG   5           HD1      ARG   5  11.380  -0.064  -0.366
   33    HE   ARG   5           HE       ARG   5  10.949   2.651  -0.745
   34   HH11  ARG   5          HH21      ARG   5  13.703   0.540  -0.826
   35   HH12  ARG   5          HH22      ARG   5  14.542   1.487  -2.006
   36   HH21  ARG   5          HH11      ARG   5  12.048   3.875  -2.278
   37   HH22  ARG   5          HH12      ARG   5  13.611   3.366  -2.825
   38    H    ALA   6           HN       ALA   6   5.981   2.155   1.843
   39    HA   ALA   6           HA       ALA   6   7.038   3.848   3.826
   40    HB1  ALA   6           HB1      ALA   6   4.343   2.632   3.250
   41    HB2  ALA   6           HB2      ALA   6   4.864   4.306   3.053
   42    HB3  ALA   6           HB3      ALA   6   4.549   3.664   4.665
   43    H    GLN   7           HN       GLN   7   5.926   0.515   4.051
   44    HA   GLN   7           HA       GLN   7   6.700   0.445   6.945
   45    HB2  GLN   7           HB2      GLN   7   4.341  -0.087   6.341
   46    HB3  GLN   7           HB1      GLN   7   4.920  -1.382   5.292
   47    HG2  GLN   7           HG2      GLN   7   5.434  -2.759   7.047
   48    HG3  GLN   7           HG1      GLN   7   5.934  -1.421   8.082
   49   HE21  GLN   7          HE21      GLN   7   2.808  -2.099   6.404
   50   HE22  GLN   7          HE22      GLN   7   1.865  -1.998   7.812
   51    H    GLY   8           HN       GLY   8   7.334  -0.804   3.746
   52    HA2  GLY   8           HA2      GLY   8   9.414  -1.854   3.142
   53    HA3  GLY   8           HA1      GLY   8   9.634  -2.334   4.825
   54    H    MET   9           HN       MET   9   6.954  -2.797   2.501
   55    HA   MET   9           HA       MET   9   7.299  -5.752   2.788
   56    HB2  MET   9           HB2      MET   9   5.032  -3.989   3.614
   57    HB3  MET   9           HB1      MET   9   4.625  -5.560   2.920
   58    HG2  MET   9           HG2      MET   9   6.514  -6.394   4.600
   59    HG3  MET   9           HG1      MET   9   6.060  -4.926   5.465
   60    HE1  MET   9           HE1      MET   9   2.363  -5.287   6.220
   61    HE2  MET   9           HE2      MET   9   3.334  -4.310   5.121
   62    HE3  MET   9           HE3      MET   9   3.884  -4.575   6.773
   63    HN1  NH2  10           H1       NH2  10   5.090  -3.360   1.198
   64    HN2  NH2  10           H2       NH2  10   5.201  -4.054  -0.346
  Start of MODEL   10
    1    H1   SER   1           HT1      SER   1   5.198   0.142  -4.064
    2    H2   SER   1           HT2      SER   1   6.834   0.005  -4.503
    3    H3   SER   1           HT3      SER   1   5.623  -0.069  -5.692
    4    HA   SER   1           HA       SER   1   6.729   2.106  -5.698
    5    HB2  SER   1           HB2      SER   1   3.875   2.128  -4.674
    6    HB3  SER   1           HB1      SER   1   4.619   3.306  -5.751
    7    HG   SER   1           HG       SER   1   3.362   1.098  -6.409
    8    H    VAL   2           HN       VAL   2   5.581   4.266  -4.248
    9    HA   VAL   2           HA       VAL   2   7.325   4.471  -1.992
   10    HB   VAL   2           HB       VAL   2   4.774   5.961  -2.701
   11   HG11  VAL   2          HG11      VAL   2   5.931   7.821  -1.424
   12   HG12  VAL   2          HG12      VAL   2   7.089   6.615  -0.859
   13   HG13  VAL   2          HG13      VAL   2   5.385   6.472  -0.428
   14   HG21  VAL   2          HG21      VAL   2   6.586   7.610  -3.581
   15   HG22  VAL   2          HG22      VAL   2   6.205   6.193  -4.559
   16   HG23  VAL   2          HG23      VAL   2   7.655   6.208  -3.556
   17    H    ALA   3           HN       ALA   3   3.744   4.228  -2.011
   18    HA   ALA   3           HA       ALA   3   3.425   3.807   0.784
   19    HB1  ALA   3           HB1      ALA   3   1.835   3.052  -1.677
   20    HB2  ALA   3           HB2      ALA   3   1.559   4.406  -0.581
   21    HB3  ALA   3           HB3      ALA   3   1.228   2.759  -0.047
   22    H    GLY   4           HN       GLY   4   4.602   1.678  -1.686
   23    HA2  GLY   4           HA2      GLY   4   3.922  -0.799  -0.292
   24    HA3  GLY   4           HA1      GLY   4   4.985  -0.658  -1.695
   25    H    ARG   5           HN       ARG   5   6.658   1.410  -0.420
   26    HA   ARG   5           HA       ARG   5   8.247  -0.415   1.324
   27    HB2  ARG   5           HB2      ARG   5   8.815   2.005  -0.386
   28    HB3  ARG   5           HB1      ARG   5   9.996   1.420   0.787
   29    HG2  ARG   5           HG2      ARG   5   9.513  -0.912  -0.361
   30    HG3  ARG   5           HG1      ARG   5   8.995   0.100  -1.710
   31    HD2  ARG   5           HD2      ARG   5  11.636   0.642  -0.357
   32    HD3  ARG   5           HD1      ARG   5  11.507  -0.611  -1.609
   33    HE   ARG   5           HE       ARG   5  10.165   1.643  -2.625
   34   HH11  ARG   5          HH21      ARG   5  13.359   0.789  -1.568
   35   HH12  ARG   5          HH22      ARG   5  14.139   1.902  -2.639
   36   HH21  ARG   5          HH11      ARG   5  11.188   3.087  -4.013
   37   HH22  ARG   5          HH12      ARG   5  12.917   3.198  -4.016
   38    H    ALA   6           HN       ALA   6   6.103   2.201   1.602
   39    HA   ALA   6           HA       ALA   6   7.213   3.915   3.539
   40    HB1  ALA   6           HB1      ALA   6   4.530   2.941   2.722
   41    HB2  ALA   6           HB2      ALA   6   5.115   4.595   2.899
   42    HB3  ALA   6           HB3      ALA   6   4.610   3.681   4.321
   43    H    GLN   7           HN       GLN   7   5.956   0.643   3.877
   44    HA   GLN   7           HA       GLN   7   6.574   0.703   6.809
   45    HB2  GLN   7           HB2      GLN   7   4.237   0.161   5.838
   46    HB3  GLN   7           HB1      GLN   7   4.956  -1.358   5.298
   47    HG2  GLN   7           HG2      GLN   7   4.196  -2.008   7.384
   48    HG3  GLN   7           HG1      GLN   7   5.808  -1.441   7.818
   49   HE21  GLN   7          HE21      GLN   7   2.530   0.014   7.329
   50   HE22  GLN   7          HE22      GLN   7   2.625   1.031   8.684
   51    H    GLY   8           HN       GLY   8   7.323  -0.776   3.725
   52    HA2  GLY   8           HA2      GLY   8   9.472  -1.854   3.352
   53    HA3  GLY   8           HA1      GLY   8   9.487  -2.333   5.051
   54    H    MET   9           HN       MET   9   7.013  -2.687   2.495
   55    HA   MET   9           HA       MET   9   7.214  -5.655   2.804
   56    HB2  MET   9           HB2      MET   9   4.854  -3.820   3.209
   57    HB3  MET   9           HB1      MET   9   4.613  -5.511   2.769
   58    HG2  MET   9           HG2      MET   9   6.244  -6.014   4.737
   59    HG3  MET   9           HG1      MET   9   5.861  -4.374   5.263
   60    HE1  MET   9           HE1      MET   9   5.181  -7.852   5.127
   61    HE2  MET   9           HE2      MET   9   3.891  -7.708   3.936
   62    HE3  MET   9           HE3      MET   9   3.502  -8.160   5.595
   63    HN1  NH2  10           H1       NH2  10   7.994  -3.713   0.595
   64    HN2  NH2  10           H2       NH2  10   7.099  -4.199  -0.763
  Start of MODEL   11
    1    H1   SER   1           HT1      SER   1   6.650   0.818  -5.787
    2    H2   SER   1           HT2      SER   1   5.133   0.175  -6.200
    3    H3   SER   1           HT3      SER   1   5.691   0.083  -4.598
    4    HA   SER   1           HA       SER   1   5.147   2.649  -6.000
    5    HB2  SER   1           HB2      SER   1   3.430   1.210  -3.968
    6    HB3  SER   1           HB1      SER   1   2.984   2.574  -4.988
    7    HG   SER   1           HG       SER   1   2.258   0.416  -5.675
    8    H    VAL   2           HN       VAL   2   5.086   4.422  -4.425
    9    HA   VAL   2           HA       VAL   2   7.187   4.374  -2.493
   10    HB   VAL   2           HB       VAL   2   6.283   6.375  -3.646
   11   HG11  VAL   2          HG11      VAL   2   3.933   6.267  -1.760
   12   HG12  VAL   2          HG12      VAL   2   3.855   5.502  -3.347
   13   HG13  VAL   2          HG13      VAL   2   4.131   7.238  -3.218
   14   HG21  VAL   2          HG21      VAL   2   5.915   6.569  -0.641
   15   HG22  VAL   2          HG22      VAL   2   6.358   7.876  -1.740
   16   HG23  VAL   2          HG23      VAL   2   7.486   6.554  -1.443
   17    H    ALA   3           HN       ALA   3   3.676   3.919  -2.160
   18    HA   ALA   3           HA       ALA   3   3.673   3.850   0.739
   19    HB1  ALA   3           HB1      ALA   3   1.841   3.302  -1.540
   20    HB2  ALA   3           HB2      ALA   3   1.575   4.282  -0.098
   21    HB3  ALA   3           HB3      ALA   3   1.432   2.527  -0.010
   22    H    GLY   4           HN       GLY   4   4.580   1.567  -1.697
   23    HA2  GLY   4           HA2      GLY   4   3.990  -0.847  -0.210
   24    HA3  GLY   4           HA1      GLY   4   5.073  -0.733  -1.598
   25    H    ARG   5           HN       ARG   5   6.736   1.360  -0.384
   26    HA   ARG   5           HA       ARG   5   8.321  -0.405   1.416
   27    HB2  ARG   5           HB2      ARG   5   8.915   2.134  -0.131
   28    HB3  ARG   5           HB1      ARG   5  10.098   1.293   0.872
   29    HG2  ARG   5           HG2      ARG   5  10.118  -0.605  -0.525
   30    HG3  ARG   5           HG1      ARG   5   8.588  -0.171  -1.287
   31    HD2  ARG   5           HD2      ARG   5   9.909   0.655  -2.963
   32    HD3  ARG   5           HD1      ARG   5  10.167   2.026  -1.866
   33    HE   ARG   5           HE       ARG   5  11.985   0.137  -0.979
   34   HH11  ARG   5          HH21      ARG   5  11.268   1.618  -4.036
   35   HH12  ARG   5          HH22      ARG   5  12.895   1.491  -4.611
   36   HH21  ARG   5          HH11      ARG   5  14.095  -0.022  -1.738
   37   HH22  ARG   5          HH12      ARG   5  14.488   0.567  -3.318
   38    H    ALA   6           HN       ALA   6   6.076   2.102   1.707
   39    HA   ALA   6           HA       ALA   6   7.118   3.881   3.625
   40    HB1  ALA   6           HB1      ALA   6   4.426   2.673   3.036
   41    HB2  ALA   6           HB2      ALA   6   4.970   4.334   2.801
   42    HB3  ALA   6           HB3      ALA   6   4.607   3.746   4.424
   43    H    GLN   7           HN       GLN   7   5.901   0.583   4.031
   44    HA   GLN   7           HA       GLN   7   6.660   0.681   6.928
   45    HB2  GLN   7           HB2      GLN   7   5.079  -1.237   7.104
   46    HB3  GLN   7           HB1      GLN   7   4.299   0.195   6.434
   47    HG2  GLN   7           HG2      GLN   7   5.476  -1.332   4.291
   48    HG3  GLN   7           HG1      GLN   7   4.462  -2.390   5.270
   49   HE21  GLN   7          HE21      GLN   7   4.120  -0.864   2.514
   50   HE22  GLN   7          HE22      GLN   7   2.562  -0.206   2.655
   51    H    GLY   8           HN       GLY   8   7.341  -0.764   3.839
   52    HA2  GLY   8           HA2      GLY   8   9.492  -1.868   3.475
   53    HA3  GLY   8           HA1      GLY   8   9.420  -2.463   5.135
   54    H    MET   9           HN       MET   9   7.014  -2.542   2.495
   55    HA   MET   9           HA       MET   9   6.696  -5.472   2.999
   56    HB2  MET   9           HB2      MET   9   4.986  -3.181   2.290
   57    HB3  MET   9           HB1      MET   9   4.647  -4.633   1.347
   58    HG2  MET   9           HG2      MET   9   5.023  -4.968   4.288
   59    HG3  MET   9           HG1      MET   9   3.524  -4.216   3.744
   60    HE1  MET   9           HE1      MET   9   4.595  -7.852   4.755
   61    HE2  MET   9           HE2      MET   9   2.835  -7.807   4.816
   62    HE3  MET   9           HE3      MET   9   3.765  -6.429   5.399
   63    HN1  NH2  10           H1       NH2  10   5.609  -6.266   0.544
   64    HN2  NH2  10           H2       NH2  10   6.752  -6.082  -0.697
  Start of MODEL   12
    1    H1   SER   1           HT1      SER   1   3.592   0.401  -4.159
    2    H2   SER   1           HT2      SER   1   4.806   0.107  -5.312
    3    H3   SER   1           HT3      SER   1   3.196   0.334  -5.807
    4    HA   SER   1           HA       SER   1   4.613   2.320  -6.192
    5    HB2  SER   1           HB2      SER   1   2.881   3.793  -5.024
    6    HB3  SER   1           HB1      SER   1   2.226   2.521  -6.049
    7    HG   SER   1           HG       SER   1   2.522   2.524  -3.226
    8    H    VAL   2           HN       VAL   2   4.784   4.475  -4.581
    9    HA   VAL   2           HA       VAL   2   7.102   4.052  -2.985
   10    HB   VAL   2           HB       VAL   2   6.382   6.191  -3.998
   11   HG11  VAL   2          HG11      VAL   2   3.910   5.692  -3.304
   12   HG12  VAL   2          HG12      VAL   2   4.470   7.365  -3.315
   13   HG13  VAL   2          HG13      VAL   2   4.355   6.483  -1.792
   14   HG21  VAL   2          HG21      VAL   2   7.149   7.579  -2.250
   15   HG22  VAL   2          HG22      VAL   2   7.824   6.002  -1.844
   16   HG23  VAL   2          HG23      VAL   2   6.386   6.587  -1.007
   17    H    ALA   3           HN       ALA   3   3.660   4.112  -2.125
   18    HA   ALA   3           HA       ALA   3   3.989   4.119   0.731
   19    HB1  ALA   3           HB1      ALA   3   1.612   3.044   0.481
   20    HB2  ALA   3           HB2      ALA   3   1.854   3.332  -1.242
   21    HB3  ALA   3           HB3      ALA   3   1.868   4.686  -0.111
   22    H    GLY   4           HN       GLY   4   4.362   1.625  -1.673
   23    HA2  GLY   4           HA2      GLY   4   3.822  -0.688  -0.105
   24    HA3  GLY   4           HA1      GLY   4   4.930  -0.644  -1.476
   25    H    ARG   5           HN       ARG   5   6.740   1.309  -0.399
   26    HA   ARG   5           HA       ARG   5   8.212  -0.444   1.481
   27    HB2  ARG   5           HB2      ARG   5   8.854   2.067  -0.086
   28    HB3  ARG   5           HB1      ARG   5  10.010   1.286   0.993
   29    HG2  ARG   5           HG2      ARG   5  10.344  -0.479  -0.418
   30    HG3  ARG   5           HG1      ARG   5   8.663  -0.504  -0.949
   31    HD2  ARG   5           HD2      ARG   5   9.803   1.953  -1.867
   32    HD3  ARG   5           HD1      ARG   5  10.913   0.641  -2.307
   33    HE   ARG   5           HE       ARG   5   8.127  -0.055  -2.791
   34   HH11  ARG   5          HH21      ARG   5  10.923   1.582  -4.039
   35   HH12  ARG   5          HH22      ARG   5  10.437   1.400  -5.690
   36   HH21  ARG   5          HH11      ARG   5   7.506  -0.284  -4.939
   37   HH22  ARG   5          HH12      ARG   5   8.512   0.349  -6.198
   38    H    ALA   6           HN       ALA   6   5.976   2.045   1.783
   39    HA   ALA   6           HA       ALA   6   7.006   3.823   3.713
   40    HB1  ALA   6           HB1      ALA   6   4.772   3.867   2.552
   41    HB2  ALA   6           HB2      ALA   6   4.657   4.144   4.290
   42    HB3  ALA   6           HB3      ALA   6   4.243   2.567   3.620
   43    H    GLN   7           HN       GLN   7   5.889   0.497   4.056
   44    HA   GLN   7           HA       GLN   7   6.542   0.589   6.979
   45    HB2  GLN   7           HB2      GLN   7   5.038  -1.398   7.076
   46    HB3  GLN   7           HB1      GLN   7   4.222   0.010   6.398
   47    HG2  GLN   7           HG2      GLN   7   4.412  -0.824   4.172
   48    HG3  GLN   7           HG1      GLN   7   5.577  -2.057   4.655
   49   HE21  GLN   7          HE21      GLN   7   4.559  -3.510   6.597
   50   HE22  GLN   7          HE22      GLN   7   2.986  -4.067   6.284
   51    H    GLY   8           HN       GLY   8   7.297  -0.875   3.893
   52    HA2  GLY   8           HA2      GLY   8   9.557  -1.833   3.612
   53    HA3  GLY   8           HA1      GLY   8   9.416  -2.495   5.242
   54    H    MET   9           HN       MET   9   7.130  -2.546   2.499
   55    HA   MET   9           HA       MET   9   7.210  -5.544   2.630
   56    HB2  MET   9           HB2      MET   9   5.073  -3.592   2.999
   57    HB3  MET   9           HB1      MET   9   4.680  -4.740   1.720
   58    HG2  MET   9           HG2      MET   9   5.842  -5.809   4.261
   59    HG3  MET   9           HG1      MET   9   4.154  -5.299   4.268
   60    HE1  MET   9           HE1      MET   9   4.314  -9.258   3.994
   61    HE2  MET   9           HE2      MET   9   3.764  -7.906   4.981
   62    HE3  MET   9           HE3      MET   9   5.491  -8.181   4.759
   63    HN1  NH2  10           H1       NH2  10   5.993  -6.358   0.427
   64    HN2  NH2  10           H2       NH2  10   6.554  -5.612  -0.990
  Start of MODEL   13
    1    H1   SER   1           HT1      SER   1   5.841  -0.389  -5.686
    2    H2   SER   1           HT2      SER   1   5.811  -0.291  -3.990
    3    H3   SER   1           HT3      SER   1   7.258  -0.009  -4.835
    4    HA   SER   1           HA       SER   1   6.408   2.015  -5.776
    5    HB2  SER   1           HB2      SER   1   4.008   2.589  -4.977
    6    HB3  SER   1           HB1      SER   1   4.175   1.354  -6.222
    7    HG   SER   1           HG       SER   1   3.058   0.220  -4.831
    8    H    VAL   2           HN       VAL   2   5.730   4.039  -4.370
    9    HA   VAL   2           HA       VAL   2   7.444   4.199  -2.093
   10    HB   VAL   2           HB       VAL   2   5.051   5.871  -2.926
   11   HG11  VAL   2          HG11      VAL   2   6.581   7.654  -1.747
   12   HG12  VAL   2          HG12      VAL   2   7.256   6.250  -0.920
   13   HG13  VAL   2          HG13      VAL   2   5.539   6.622  -0.767
   14   HG21  VAL   2          HG21      VAL   2   6.527   5.897  -4.758
   15   HG22  VAL   2          HG22      VAL   2   7.955   5.804  -3.726
   16   HG23  VAL   2          HG23      VAL   2   7.036   7.307  -3.828
   17    H    ALA   3           HN       ALA   3   3.857   4.216  -2.189
   18    HA   ALA   3           HA       ALA   3   3.419   4.026   0.609
   19    HB1  ALA   3           HB1      ALA   3   1.489   4.495  -0.547
   20    HB2  ALA   3           HB2      ALA   3   1.284   2.745  -0.469
   21    HB3  ALA   3           HB3      ALA   3   1.953   3.490  -1.922
   22    H    GLY   4           HN       GLY   4   4.549   1.643  -1.649
   23    HA2  GLY   4           HA2      GLY   4   3.750  -0.660  -0.021
   24    HA3  GLY   4           HA1      GLY   4   4.773  -0.711  -1.458
   25    H    ARG   5           HN       ARG   5   6.591   1.379  -0.432
   26    HA   ARG   5           HA       ARG   5   8.232  -0.381   1.299
   27    HB2  ARG   5           HB2      ARG   5   8.675   2.169  -0.265
   28    HB3  ARG   5           HB1      ARG   5   9.916   1.482   0.783
   29    HG2  ARG   5           HG2      ARG   5   9.816  -0.635  -0.482
   30    HG3  ARG   5           HG1      ARG   5   8.580   0.054  -1.536
   31    HD2  ARG   5           HD2      ARG   5  10.771   0.247  -2.629
   32    HD3  ARG   5           HD1      ARG   5  10.220   1.868  -2.162
   33    HE   ARG   5           HE       ARG   5  11.735   0.572  -0.044
   34   HH11  ARG   5          HH21      ARG   5  11.943   2.378  -3.002
   35   HH12  ARG   5          HH22      ARG   5  13.496   3.040  -2.625
   36   HH21  ARG   5          HH11      ARG   5  13.755   1.439   0.434
   37   HH22  ARG   5          HH12      ARG   5  14.517   2.513  -0.691
   38    H    ALA   6           HN       ALA   6   6.046   2.222   1.685
   39    HA   ALA   6           HA       ALA   6   7.140   3.844   3.699
   40    HB1  ALA   6           HB1      ALA   6   4.317   2.743   3.686
   41    HB2  ALA   6           HB2      ALA   6   4.875   3.920   2.496
   42    HB3  ALA   6           HB3      ALA   6   4.849   4.342   4.209
   43    H    GLN   7           HN       GLN   7   5.942   0.543   3.891
   44    HA   GLN   7           HA       GLN   7   6.512   0.496   6.834
   45    HB2  GLN   7           HB2      GLN   7   4.894  -1.400   5.094
   46    HB3  GLN   7           HB1      GLN   7   4.970  -1.405   6.856
   47    HG2  GLN   7           HG2      GLN   7   3.930   0.899   5.180
   48    HG3  GLN   7           HG1      GLN   7   2.915  -0.287   6.002
   49   HE21  GLN   7          HE21      GLN   7   4.003  -0.559   8.492
   50   HE22  GLN   7          HE22      GLN   7   4.080   0.932   9.301
   51    H    GLY   8           HN       GLY   8   7.500  -0.677   3.727
   52    HA2  GLY   8           HA2      GLY   8   9.632  -1.746   3.359
   53    HA3  GLY   8           HA1      GLY   8   9.599  -2.325   5.027
   54    H    MET   9           HN       MET   9   6.958  -2.536   2.685
   55    HA   MET   9           HA       MET   9   7.250  -5.524   2.728
   56    HB2  MET   9           HB2      MET   9   5.071  -3.684   3.483
   57    HB3  MET   9           HB1      MET   9   4.557  -5.003   2.430
   58    HG2  MET   9           HG2      MET   9   6.227  -5.439   4.917
   59    HG3  MET   9           HG1      MET   9   4.464  -5.513   4.918
   60    HE1  MET   9           HE1      MET   9   6.387  -7.379   5.902
   61    HE2  MET   9           HE2      MET   9   6.638  -8.907   5.062
   62    HE3  MET   9           HE3      MET   9   5.060  -8.540   5.754
   63    HN1  NH2  10           H1       NH2  10   8.418  -5.016   0.556
   64    HN2  NH2  10           H2       NH2  10   7.450  -4.794  -0.820
  Start of MODEL   14
    1    H1   SER   1           HT1      SER   1   5.786   0.963  -5.214
    2    H2   SER   1           HT2      SER   1   4.547   1.335  -6.316
    3    H3   SER   1           HT3      SER   1   4.185   1.106  -4.673
    4    HA   SER   1           HA       SER   1   5.746   3.349  -5.851
    5    HB2  SER   1           HB2      SER   1   3.155   3.325  -4.290
    6    HB3  SER   1           HB1      SER   1   3.808   4.628  -5.279
    7    HG   SER   1           HG       SER   1   2.184   2.679  -6.011
    8    H    VAL   2           HN       VAL   2   5.608   5.120  -3.889
    9    HA   VAL   2           HA       VAL   2   7.452   4.280  -1.894
   10    HB   VAL   2           HB       VAL   2   7.043   6.602  -2.638
   11   HG11  VAL   2          HG11      VAL   2   5.047   7.764  -2.206
   12   HG12  VAL   2          HG12      VAL   2   4.540   6.619  -0.963
   13   HG13  VAL   2          HG13      VAL   2   4.473   6.161  -2.664
   14   HG21  VAL   2          HG21      VAL   2   6.673   5.950   0.289
   15   HG22  VAL   2          HG22      VAL   2   6.816   7.615  -0.274
   16   HG23  VAL   2          HG23      VAL   2   8.139   6.479  -0.536
   17    H    ALA   3           HN       ALA   3   3.904   4.419  -1.867
   18    HA   ALA   3           HA       ALA   3   3.442   3.985   0.904
   19    HB1  ALA   3           HB1      ALA   3   1.847   2.858  -1.414
   20    HB2  ALA   3           HB2      ALA   3   1.825   4.568  -0.980
   21    HB3  ALA   3           HB3      ALA   3   1.238   3.360   0.163
   22    H    GLY   4           HN       GLY   4   4.535   1.799  -1.604
   23    HA2  GLY   4           HA2      GLY   4   3.871  -0.646  -0.172
   24    HA3  GLY   4           HA1      GLY   4   4.933  -0.526  -1.577
   25    H    ARG   5           HN       ARG   5   6.699   1.464  -0.413
   26    HA   ARG   5           HA       ARG   5   8.284  -0.351   1.320
   27    HB2  ARG   5           HB2      ARG   5   8.813   2.218  -0.190
   28    HB3  ARG   5           HB1      ARG   5  10.020   1.462   0.852
   29    HG2  ARG   5           HG2      ARG   5  10.395  -0.259  -0.602
   30    HG3  ARG   5           HG1      ARG   5   8.703  -0.344  -1.095
   31    HD2  ARG   5           HD2      ARG   5   9.187   0.832  -2.967
   32    HD3  ARG   5           HD1      ARG   5   9.792   2.174  -1.975
   33    HE   ARG   5           HE       ARG   5  11.985   1.378  -2.333
   34   HH11  ARG   5          HH21      ARG   5   9.639  -1.082  -3.033
   35   HH12  ARG   5          HH22      ARG   5  10.814  -2.192  -3.646
   36   HH21  ARG   5          HH11      ARG   5  13.504  -0.074  -3.134
   37   HH22  ARG   5          HH12      ARG   5  12.992  -1.626  -3.704
   38    H    ALA   6           HN       ALA   6   6.092   2.222   1.712
   39    HA   ALA   6           HA       ALA   6   7.170   3.847   3.741
   40    HB1  ALA   6           HB1      ALA   6   5.073   4.511   3.037
   41    HB2  ALA   6           HB2      ALA   6   4.589   3.637   4.491
   42    HB3  ALA   6           HB3      ALA   6   4.479   2.855   2.913
   43    H    GLN   7           HN       GLN   7   5.813   0.583   3.950
   44    HA   GLN   7           HA       GLN   7   6.430   0.516   6.877
   45    HB2  GLN   7           HB2      GLN   7   4.890  -1.422   6.855
   46    HB3  GLN   7           HB1      GLN   7   4.124  -0.005   6.138
   47    HG2  GLN   7           HG2      GLN   7   5.496  -1.352   4.040
   48    HG3  GLN   7           HG1      GLN   7   4.602  -2.577   4.941
   49   HE21  GLN   7          HE21      GLN   7   4.224  -0.648   2.321
   50   HE22  GLN   7          HE22      GLN   7   2.555  -0.353   2.397
   51    H    GLY   8           HN       GLY   8   7.372  -0.729   3.770
   52    HA2  GLY   8           HA2      GLY   8   9.492  -1.812   3.391
   53    HA3  GLY   8           HA1      GLY   8   9.505  -2.321   5.081
   54    H    MET   9           HN       MET   9   7.111  -2.692   2.450
   55    HA   MET   9           HA       MET   9   6.499  -5.426   3.288
   56    HB2  MET   9           HB2      MET   9   5.546  -3.365   1.404
   57    HB3  MET   9           HB1      MET   9   5.344  -5.018   0.820
   58    HG2  MET   9           HG2      MET   9   4.300  -5.565   3.073
   59    HG3  MET   9           HG1      MET   9   4.289  -3.832   3.398
   60    HE1  MET   9           HE1      MET   9   3.474  -6.688   1.477
   61    HE2  MET   9           HE2      MET   9   2.530  -6.195   0.073
   62    HE3  MET   9           HE3      MET   9   1.712  -6.577   1.586
   63    HN1  NH2  10           H1       NH2  10   8.453  -3.924   0.701
   64    HN2  NH2  10           H2       NH2  10   9.074  -5.379   0.085
  Start of MODEL   15
    1    H1   SER   1           HT1      SER   1   7.080   0.215  -4.998
    2    H2   SER   1           HT2      SER   1   5.840  -0.256  -6.061
    3    H3   SER   1           HT3      SER   1   5.583  -0.291  -4.382
    4    HA   SER   1           HA       SER   1   5.873   2.102  -6.118
    5    HB2  SER   1           HB2      SER   1   3.746   0.700  -4.522
    6    HB3  SER   1           HB1      SER   1   3.612   2.433  -4.806
    7    HG   SER   1           HG       SER   1   3.464   2.080  -6.944
    8    H    VAL   2           HN       VAL   2   4.919   3.967  -4.422
    9    HA   VAL   2           HA       VAL   2   7.107   4.436  -2.581
   10    HB   VAL   2           HB       VAL   2   4.407   5.781  -2.939
   11   HG11  VAL   2          HG11      VAL   2   5.656   6.286  -0.795
   12   HG12  VAL   2          HG12      VAL   2   5.385   7.687  -1.832
   13   HG13  VAL   2          HG13      VAL   2   6.970   6.917  -1.788
   14   HG21  VAL   2          HG21      VAL   2   5.714   7.367  -4.353
   15   HG22  VAL   2          HG22      VAL   2   5.703   5.734  -5.018
   16   HG23  VAL   2          HG23      VAL   2   7.128   6.330  -4.168
   17    H    ALA   3           HN       ALA   3   3.588   4.087  -1.970
   18    HA   ALA   3           HA       ALA   3   3.790   3.814   0.861
   19    HB1  ALA   3           HB1      ALA   3   1.514   3.535   0.681
   20    HB2  ALA   3           HB2      ALA   3   1.662   2.346  -0.614
   21    HB3  ALA   3           HB3      ALA   3   1.812   4.065  -0.974
   22    H    GLY   4           HN       GLY   4   4.565   1.590  -1.680
   23    HA2  GLY   4           HA2      GLY   4   4.096  -0.879  -0.292
   24    HA3  GLY   4           HA1      GLY   4   5.210  -0.667  -1.644
   25    H    ARG   5           HN       ARG   5   6.812   1.386  -0.345
   26    HA   ARG   5           HA       ARG   5   8.350  -0.392   1.486
   27    HB2  ARG   5           HB2      ARG   5   8.969   2.088  -0.134
   28    HB3  ARG   5           HB1      ARG   5  10.122   1.385   1.001
   29    HG2  ARG   5           HG2      ARG   5   9.786  -0.825  -0.238
   30    HG3  ARG   5           HG1      ARG   5   8.956   0.111  -1.482
   31    HD2  ARG   5           HD2      ARG   5  11.322  -0.130  -2.097
   32    HD3  ARG   5           HD1      ARG   5  11.011   1.564  -1.668
   33    HE   ARG   5           HE       ARG   5  11.715   0.142   0.707
   34   HH11  ARG   5          HH21      ARG   5  13.080   1.266  -2.279
   35   HH12  ARG   5          HH22      ARG   5  14.673   1.434  -1.624
   36   HH21  ARG   5          HH11      ARG   5  13.789   0.362   1.548
   37   HH22  ARG   5          HH12      ARG   5  15.074   0.925   0.532
   38    H    ALA   6           HN       ALA   6   6.094   2.097   1.730
   39    HA   ALA   6           HA       ALA   6   7.092   3.898   3.652
   40    HB1  ALA   6           HB1      ALA   6   4.526   3.591   4.428
   41    HB2  ALA   6           HB2      ALA   6   4.456   2.721   2.896
   42    HB3  ALA   6           HB3      ALA   6   4.958   4.411   2.929
   43    H    GLN   7           HN       GLN   7   5.897   0.594   4.054
   44    HA   GLN   7           HA       GLN   7   6.657   0.697   6.951
   45    HB2  GLN   7           HB2      GLN   7   5.063  -1.227   7.126
   46    HB3  GLN   7           HB1      GLN   7   4.292   0.234   6.508
   47    HG2  GLN   7           HG2      GLN   7   4.094  -0.613   4.357
   48    HG3  GLN   7           HG1      GLN   7   5.475  -1.694   4.543
   49   HE21  GLN   7          HE21      GLN   7   5.055  -3.460   6.373
   50   HE22  GLN   7          HE22      GLN   7   3.517  -4.179   6.344
   51    H    GLY   8           HN       GLY   8   7.315  -0.747   3.860
   52    HA2  GLY   8           HA2      GLY   8   9.473  -1.860   3.517
   53    HA3  GLY   8           HA1      GLY   8   9.347  -2.507   5.153
   54    H    MET   9           HN       MET   9   7.006  -2.453   2.454
   55    HA   MET   9           HA       MET   9   6.759  -5.427   2.761
   56    HB2  MET   9           HB2      MET   9   4.895  -3.159   2.479
   57    HB3  MET   9           HB1      MET   9   4.508  -4.534   1.444
   58    HG2  MET   9           HG2      MET   9   5.204  -5.040   4.316
   59    HG3  MET   9           HG1      MET   9   3.594  -4.437   3.923
   60    HE1  MET   9           HE1      MET   9   1.905  -5.404   2.830
   61    HE2  MET   9           HE2      MET   9   1.877  -6.480   4.224
   62    HE3  MET   9           HE3      MET   9   1.650  -7.140   2.607
   63    HN1  NH2  10           H1       NH2  10   5.394  -5.950   0.346
   64    HN2  NH2  10           H2       NH2  10   6.403  -5.602  -0.974
  Start of MODEL   16
    1    H1   SER   1           HT1      SER   1   4.370   1.411  -6.749
    2    H2   SER   1           HT2      SER   1   5.268   0.953  -5.381
    3    H3   SER   1           HT3      SER   1   5.798   2.238  -6.358
    4    HA   SER   1           HA       SER   1   3.890   3.572  -5.715
    5    HB2  SER   1           HB2      SER   1   3.222   1.159  -4.004
    6    HB3  SER   1           HB1      SER   1   2.243   2.607  -4.217
    7    HG   SER   1           HG       SER   1   1.440   1.681  -5.912
    8    H    VAL   2           HN       VAL   2   4.280   4.992  -3.993
    9    HA   VAL   2           HA       VAL   2   6.709   4.767  -2.505
   10    HB   VAL   2           HB       VAL   2   4.210   6.436  -2.076
   11   HG11  VAL   2          HG11      VAL   2   5.722   6.366  -0.095
   12   HG12  VAL   2          HG12      VAL   2   5.668   7.963  -0.841
   13   HG13  VAL   2          HG13      VAL   2   7.052   6.905  -1.121
   14   HG21  VAL   2          HG21      VAL   2   6.013   8.098  -3.190
   15   HG22  VAL   2          HG22      VAL   2   4.903   7.127  -4.158
   16   HG23  VAL   2          HG23      VAL   2   6.560   6.580  -3.902
   17    H    ALA   3           HN       ALA   3   3.307   4.332  -1.481
   18    HA   ALA   3           HA       ALA   3   3.816   3.691   1.248
   19    HB1  ALA   3           HB1      ALA   3   1.564   2.273   0.565
   20    HB2  ALA   3           HB2      ALA   3   1.660   3.440  -0.754
   21    HB3  ALA   3           HB3      ALA   3   1.579   4.002   0.917
   22    H    GLY   4           HN       GLY   4   4.471   1.885  -1.621
   23    HA2  GLY   4           HA2      GLY   4   4.186  -0.782  -0.643
   24    HA3  GLY   4           HA1      GLY   4   5.274  -0.296  -1.944
   25    H    ARG   5           HN       ARG   5   6.814   1.574  -0.356
   26    HA   ARG   5           HA       ARG   5   8.327  -0.398   1.314
   27    HB2  ARG   5           HB2      ARG   5   9.027   1.930  -0.443
   28    HB3  ARG   5           HB1      ARG   5  10.129   1.481   0.860
   29    HG2  ARG   5           HG2      ARG   5   9.724  -0.961  -0.135
   30    HG3  ARG   5           HG1      ARG   5   9.382  -0.041  -1.601
   31    HD2  ARG   5           HD2      ARG   5  11.730   1.086  -0.415
   32    HD3  ARG   5           HD1      ARG   5  11.947  -0.674  -0.495
   33    HE   ARG   5           HE       ARG   5  11.693   1.118  -2.787
   34   HH11  ARG   5          HH21      ARG   5  11.188  -2.095  -1.568
   35   HH12  ARG   5          HH22      ARG   5  11.267  -2.826  -3.135
   36   HH21  ARG   5          HH11      ARG   5  11.790   0.154  -4.817
   37   HH22  ARG   5          HH12      ARG   5  11.605  -1.562  -4.963
   38    H    ALA   6           HN       ALA   6   6.326   2.346   1.559
   39    HA   ALA   6           HA       ALA   6   7.469   3.945   3.576
   40    HB1  ALA   6           HB1      ALA   6   4.594   3.011   3.259
   41    HB2  ALA   6           HB2      ALA   6   5.330   4.347   2.374
   42    HB3  ALA   6           HB3      ALA   6   5.111   4.459   4.121
   43    H    GLN   7           HN       GLN   7   5.941   0.778   3.787
   44    HA   GLN   7           HA       GLN   7   6.446   0.710   6.738
   45    HB2  GLN   7           HB2      GLN   7   4.129   0.341   5.932
   46    HB3  GLN   7           HB1      GLN   7   4.697  -0.988   4.922
   47    HG2  GLN   7           HG2      GLN   7   4.396  -2.370   6.672
   48    HG3  GLN   7           HG1      GLN   7   5.697  -1.521   7.506
   49   HE21  GLN   7          HE21      GLN   7   4.649   0.901   8.202
   50   HE22  GLN   7          HE22      GLN   7   3.250   0.724   9.146
   51    H    GLY   8           HN       GLY   8   7.215  -0.745   3.640
   52    HA2  GLY   8           HA2      GLY   8   9.337  -1.902   3.320
   53    HA3  GLY   8           HA1      GLY   8   9.254  -2.440   4.998
   54    H    MET   9           HN       MET   9   6.867  -2.578   2.343
   55    HA   MET   9           HA       MET   9   6.657  -5.531   2.841
   56    HB2  MET   9           HB2      MET   9   4.739  -3.302   2.451
   57    HB3  MET   9           HB1      MET   9   4.329  -4.803   1.622
   58    HG2  MET   9           HG2      MET   9   5.199  -4.912   4.491
   59    HG3  MET   9           HG1      MET   9   3.547  -4.427   4.111
   60    HE1  MET   9           HE1      MET   9   5.800  -6.727   5.034
   61    HE2  MET   9           HE2      MET   9   5.401  -8.351   4.482
   62    HE3  MET   9           HE3      MET   9   4.392  -7.570   5.696
   63    HN1  NH2  10           H1       NH2  10   7.083  -3.010   0.395
   64    HN2  NH2  10           H2       NH2  10   7.235  -4.056  -0.933
  Start of MODEL   17
    1    H1   SER   1           HT1      SER   1   4.781   0.219  -5.880
    2    H2   SER   1           HT2      SER   1   4.601   0.318  -4.194
    3    H3   SER   1           HT3      SER   1   6.152   0.264  -4.883
    4    HA   SER   1           HA       SER   1   5.782   2.427  -5.934
    5    HB2  SER   1           HB2      SER   1   3.096   1.824  -4.740
    6    HB3  SER   1           HB1      SER   1   3.582   3.507  -4.925
    7    HG   SER   1           HG       SER   1   3.501   1.512  -6.949
    8    H    VAL   2           HN       VAL   2   5.275   4.546  -4.360
    9    HA   VAL   2           HA       VAL   2   7.246   4.475  -2.309
   10    HB   VAL   2           HB       VAL   2   6.415   6.488  -3.485
   11   HG11  VAL   2          HG11      VAL   2   3.967   5.584  -3.311
   12   HG12  VAL   2          HG12      VAL   2   4.238   7.324  -3.233
   13   HG13  VAL   2          HG13      VAL   2   3.955   6.408  -1.752
   14   HG21  VAL   2          HG21      VAL   2   5.896   6.609  -0.497
   15   HG22  VAL   2          HG22      VAL   2   6.308   7.971  -1.539
   16   HG23  VAL   2          HG23      VAL   2   7.490   6.697  -1.245
   17    H    ALA   3           HN       ALA   3   3.739   3.960  -2.188
   18    HA   ALA   3           HA       ALA   3   3.587   3.879   0.719
   19    HB1  ALA   3           HB1      ALA   3   1.586   4.435  -0.338
   20    HB2  ALA   3           HB2      ALA   3   1.332   2.715  -0.046
   21    HB3  ALA   3           HB3      ALA   3   1.836   3.274  -1.641
   22    H    GLY   4           HN       GLY   4   4.616   1.640  -1.695
   23    HA2  GLY   4           HA2      GLY   4   3.902  -0.782  -0.233
   24    HA3  GLY   4           HA1      GLY   4   4.966  -0.696  -1.638
   25    H    ARG   5           HN       ARG   5   6.665   1.385  -0.383
   26    HA   ARG   5           HA       ARG   5   8.244  -0.448   1.359
   27    HB2  ARG   5           HB2      ARG   5   8.781   1.917  -0.412
   28    HB3  ARG   5           HB1      ARG   5   9.943   1.504   0.849
   29    HG2  ARG   5           HG2      ARG   5   9.335  -0.949  -0.338
   30    HG3  ARG   5           HG1      ARG   5   9.431   0.172  -1.696
   31    HD2  ARG   5           HD2      ARG   5  11.571   0.460   0.347
   32    HD3  ARG   5           HD1      ARG   5  11.626  -1.018  -0.634
   33    HE   ARG   5           HE       ARG   5  11.096   0.982  -2.481
   34   HH11  ARG   5          HH21      ARG   5  13.520   0.425  -0.060
   35   HH12  ARG   5          HH22      ARG   5  14.749   1.281  -0.925
   36   HH21  ARG   5          HH11      ARG   5  12.701   2.093  -3.598
   37   HH22  ARG   5          HH12      ARG   5  14.289   2.221  -2.919
   38    H    ALA   6           HN       ALA   6   6.130   2.216   1.633
   39    HA   ALA   6           HA       ALA   6   7.238   3.878   3.610
   40    HB1  ALA   6           HB1      ALA   6   5.073   4.635   3.750
   41    HB2  ALA   6           HB2      ALA   6   4.418   3.013   3.966
   42    HB3  ALA   6           HB3      ALA   6   4.841   3.585   2.353
   43    H    GLN   7           HN       GLN   7   5.957   0.614   3.884
   44    HA   GLN   7           HA       GLN   7   6.520   0.629   6.827
   45    HB2  GLN   7           HB2      GLN   7   4.209   0.078   5.704
   46    HB3  GLN   7           HB1      GLN   7   4.966  -1.471   5.327
   47    HG2  GLN   7           HG2      GLN   7   4.103  -1.990   7.402
   48    HG3  GLN   7           HG1      GLN   7   5.658  -1.326   7.907
   49   HE21  GLN   7          HE21      GLN   7   2.526   0.171   6.888
   50   HE22  GLN   7          HE22      GLN   7   2.421   1.203   8.232
   51    H    GLY   8           HN       GLY   8   7.366  -0.762   3.737
   52    HA2  GLY   8           HA2      GLY   8   9.476  -1.874   3.360
   53    HA3  GLY   8           HA1      GLY   8   9.508  -2.332   5.065
   54    H    MET   9           HN       MET   9   7.046  -2.736   2.503
   55    HA   MET   9           HA       MET   9   7.059  -5.675   3.121
   56    HB2  MET   9           HB2      MET   9   5.079  -3.833   3.597
   57    HB3  MET   9           HB1      MET   9   4.615  -4.443   2.008
   58    HG2  MET   9           HG2      MET   9   5.394  -6.380   4.167
   59    HG3  MET   9           HG1      MET   9   3.773  -5.686   4.164
   60    HE1  MET   9           HE1      MET   9   2.148  -8.359   2.730
   61    HE2  MET   9           HE2      MET   9   2.782  -7.584   4.181
   62    HE3  MET   9           HE3      MET   9   3.561  -9.034   3.552
   63    HN1  NH2  10           H1       NH2  10   6.503  -3.210   0.558
   64    HN2  NH2  10           H2       NH2  10   6.801  -4.259  -0.744
  Start of MODEL   18
    1    H1   SER   1           HT1      SER   1   3.539   2.426  -7.513
    2    H2   SER   1           HT2      SER   1   4.530   1.592  -6.414
    3    H3   SER   1           HT3      SER   1   5.171   2.858  -7.347
    4    HA   SER   1           HA       SER   1   3.819   4.474  -6.189
    5    HB2  SER   1           HB2      SER   1   2.306   3.628  -4.416
    6    HB3  SER   1           HB1      SER   1   1.901   2.934  -5.983
    7    HG   SER   1           HG       SER   1   2.795   1.732  -3.704
    8    H    VAL   2           HN       VAL   2   4.099   4.937  -3.673
    9    HA   VAL   2           HA       VAL   2   6.797   3.891  -2.895
   10    HB   VAL   2           HB       VAL   2   5.330   6.466  -2.236
   11   HG11  VAL   2          HG11      VAL   2   6.762   6.137  -0.411
   12   HG12  VAL   2          HG12      VAL   2   7.780   7.057  -1.519
   13   HG13  VAL   2          HG13      VAL   2   7.975   5.309  -1.387
   14   HG21  VAL   2          HG21      VAL   2   7.434   5.682  -4.242
   15   HG22  VAL   2          HG22      VAL   2   7.380   7.332  -3.620
   16   HG23  VAL   2          HG23      VAL   2   5.990   6.668  -4.478
   17    H    ALA   3           HN       ALA   3   3.466   4.193  -1.903
   18    HA   ALA   3           HA       ALA   3   3.719   3.935   0.922
   19    HB1  ALA   3           HB1      ALA   3   1.678   4.454  -0.498
   20    HB2  ALA   3           HB2      ALA   3   1.398   3.284   0.793
   21    HB3  ALA   3           HB3      ALA   3   1.592   2.732  -0.871
   22    H    GLY   4           HN       GLY   4   4.457   1.683  -1.585
   23    HA2  GLY   4           HA2      GLY   4   3.917  -0.758  -0.139
   24    HA3  GLY   4           HA1      GLY   4   4.970  -0.611  -1.547
   25    H    ARG   5           HN       ARG   5   6.665   1.446  -0.323
   26    HA   ARG   5           HA       ARG   5   8.282  -0.363   1.403
   27    HB2  ARG   5           HB2      ARG   5   8.792   2.129  -0.226
   28    HB3  ARG   5           HB1      ARG   5   9.995   1.501   0.901
   29    HG2  ARG   5           HG2      ARG   5   9.582  -0.774  -0.323
   30    HG3  ARG   5           HG1      ARG   5   8.925   0.239  -1.609
   31    HD2  ARG   5           HD2      ARG   5  11.130   0.290  -2.284
   32    HD3  ARG   5           HD1      ARG   5  11.238   1.581  -1.071
   33    HE   ARG   5           HE       ARG   5  11.528  -1.043   0.132
   34   HH11  ARG   5          HH21      ARG   5  13.160   1.458  -1.636
   35   HH12  ARG   5          HH22      ARG   5  14.723   1.029  -1.029
   36   HH21  ARG   5          HH11      ARG   5  13.564  -1.592   0.915
   37   HH22  ARG   5          HH12      ARG   5  14.952  -0.688   0.407
   38    H    ALA   6           HN       ALA   6   6.036   2.121   1.802
   39    HA   ALA   6           HA       ALA   6   7.108   3.865   3.735
   40    HB1  ALA   6           HB1      ALA   6   4.350   2.627   3.868
   41    HB2  ALA   6           HB2      ALA   6   4.797   3.757   2.592
   42    HB3  ALA   6           HB3      ALA   6   4.819   4.277   4.277
   43    H    GLN   7           HN       GLN   7   5.926   0.549   4.091
   44    HA   GLN   7           HA       GLN   7   6.745   0.587   6.973
   45    HB2  GLN   7           HB2      GLN   7   5.197  -1.363   7.128
   46    HB3  GLN   7           HB1      GLN   7   4.383   0.077   6.518
   47    HG2  GLN   7           HG2      GLN   7   4.405  -0.727   4.281
   48    HG3  GLN   7           HG1      GLN   7   5.586  -1.980   4.660
   49   HE21  GLN   7          HE21      GLN   7   4.608  -3.324   6.796
   50   HE22  GLN   7          HE22      GLN   7   3.044  -3.918   6.511
   51    H    GLY   8           HN       GLY   8   7.364  -0.790   3.836
   52    HA2  GLY   8           HA2      GLY   8   9.490  -1.872   3.358
   53    HA3  GLY   8           HA1      GLY   8   9.540  -2.435   5.029
   54    H    MET   9           HN       MET   9   7.007  -2.634   2.515
   55    HA   MET   9           HA       MET   9   6.284  -5.340   3.275
   56    HB2  MET   9           HB2      MET   9   5.660  -3.645   0.833
   57    HB3  MET   9           HB1      MET   9   4.796  -5.111   1.296
   58    HG2  MET   9           HG2      MET   9   4.352  -3.963   3.541
   59    HG3  MET   9           HG1      MET   9   4.911  -2.477   2.775
   60    HE1  MET   9           HE1      MET   9   2.474  -4.564   3.796
   61    HE2  MET   9           HE2      MET   9   1.858  -5.351   2.345
   62    HE3  MET   9           HE3      MET   9   0.945  -4.035   3.078
   63    HN1  NH2  10           H1       NH2  10   8.127  -6.759   2.954
   64    HN2  NH2  10           H2       NH2  10   8.785  -7.067   1.420
  Start of MODEL   19
    1    H1   SER   1           HT1      SER   1   5.705  -0.093  -4.382
    2    H2   SER   1           HT2      SER   1   7.111   0.432  -5.177
    3    H3   SER   1           HT3      SER   1   5.730   0.012  -6.075
    4    HA   SER   1           HA       SER   1   5.950   2.424  -5.954
    5    HB2  SER   1           HB2      SER   1   3.634   2.720  -4.944
    6    HB3  SER   1           HB1      SER   1   3.758   1.441  -6.150
    7    HG   SER   1           HG       SER   1   3.375   0.013  -4.649
    8    H    VAL   2           HN       VAL   2   5.425   4.291  -4.373
    9    HA   VAL   2           HA       VAL   2   7.334   4.362  -2.249
   10    HB   VAL   2           HB       VAL   2   4.841   6.019  -2.765
   11   HG11  VAL   2          HG11      VAL   2   5.487   6.690  -0.635
   12   HG12  VAL   2          HG12      VAL   2   6.478   7.759  -1.627
   13   HG13  VAL   2          HG13      VAL   2   7.185   6.307  -0.916
   14   HG21  VAL   2          HG21      VAL   2   7.683   6.133  -3.785
   15   HG22  VAL   2          HG22      VAL   2   6.647   7.560  -3.787
   16   HG23  VAL   2          HG23      VAL   2   6.185   6.135  -4.717
   17    H    ALA   3           HN       ALA   3   3.752   4.274  -2.040
   18    HA   ALA   3           HA       ALA   3   3.569   3.920   0.773
   19    HB1  ALA   3           HB1      ALA   3   1.383   2.623  -0.232
   20    HB2  ALA   3           HB2      ALA   3   1.898   3.546  -1.644
   21    HB3  ALA   3           HB3      ALA   3   1.519   4.379  -0.136
   22    H    GLY   4           HN       GLY   4   4.565   1.703  -1.701
   23    HA2  GLY   4           HA2      GLY   4   3.891  -0.738  -0.276
   24    HA3  GLY   4           HA1      GLY   4   4.980  -0.618  -1.659
   25    H    ARG   5           HN       ARG   5   6.678   1.420  -0.398
   26    HA   ARG   5           HA       ARG   5   8.211  -0.412   1.381
   27    HB2  ARG   5           HB2      ARG   5   8.847   1.209  -0.784
   28    HB3  ARG   5           HB1      ARG   5   9.424   2.137   0.601
   29    HG2  ARG   5           HG2      ARG   5  10.026  -0.795   0.491
   30    HG3  ARG   5           HG1      ARG   5  10.970   0.301  -0.519
   31    HD2  ARG   5           HD2      ARG   5  10.573   0.698   2.467
   32    HD3  ARG   5           HD1      ARG   5  12.000  -0.073   1.748
   33    HE   ARG   5           HE       ARG   5  11.466   2.423   0.423
   34   HH11  ARG   5          HH21      ARG   5  12.677   1.073   3.382
   35   HH12  ARG   5          HH22      ARG   5  13.715   2.417   3.708
   36   HH21  ARG   5          HH11      ARG   5  12.818   4.167   0.858
   37   HH22  ARG   5          HH12      ARG   5  13.796   4.161   2.287
   38    H    ALA   6           HN       ALA   6   6.034   2.158   1.683
   39    HA   ALA   6           HA       ALA   6   7.098   3.884   3.635
   40    HB1  ALA   6           HB1      ALA   6   4.875   4.493   3.911
   41    HB2  ALA   6           HB2      ALA   6   4.320   2.819   3.957
   42    HB3  ALA   6           HB3      ALA   6   4.728   3.570   2.415
   43    H    GLN   7           HN       GLN   7   5.880   0.596   3.937
   44    HA   GLN   7           HA       GLN   7   6.580   0.584   6.849
   45    HB2  GLN   7           HB2      GLN   7   4.241   0.062   6.228
   46    HB3  GLN   7           HB1      GLN   7   4.811  -1.222   5.161
   47    HG2  GLN   7           HG2      GLN   7   4.137  -2.240   7.251
   48    HG3  GLN   7           HG1      GLN   7   5.898  -2.299   7.162
   49   HE21  GLN   7          HE21      GLN   7   6.680  -1.905   9.241
   50   HE22  GLN   7          HE22      GLN   7   6.126  -0.674  10.270
   51    H    GLY   8           HN       GLY   8   7.372  -0.670   3.708
   52    HA2  GLY   8           HA2      GLY   8   9.432  -1.782   3.191
   53    HA3  GLY   8           HA1      GLY   8   9.589  -2.231   4.891
   54    H    MET   9           HN       MET   9   6.990  -2.711   2.478
   55    HA   MET   9           HA       MET   9   6.945  -5.602   3.264
   56    HB2  MET   9           HB2      MET   9   4.879  -3.721   2.080
   57    HB3  MET   9           HB1      MET   9   4.597  -5.440   2.361
   58    HG2  MET   9           HG2      MET   9   5.187  -5.069   4.780
   59    HG3  MET   9           HG1      MET   9   5.241  -3.338   4.446
   60    HE1  MET   9           HE1      MET   9   2.424  -2.741   2.519
   61    HE2  MET   9           HE2      MET   9   3.709  -2.054   3.507
   62    HE3  MET   9           HE3      MET   9   2.044  -2.005   4.081
   63    HN1  NH2  10           H1       NH2  10   8.391  -6.546   1.705
   64    HN2  NH2  10           H2       NH2  10   8.164  -6.419   0.029
  Start of MODEL   20
    1    H1   SER   1           HT1      SER   1   4.608   0.578  -4.569
    2    H2   SER   1           HT2      SER   1   5.767   1.172  -5.659
    3    H3   SER   1           HT3      SER   1   4.193   0.823  -6.194
    4    HA   SER   1           HA       SER   1   4.520   3.227  -5.928
    5    HB2  SER   1           HB2      SER   1   2.509   3.405  -4.339
    6    HB3  SER   1           HB1      SER   1   2.311   2.340  -5.728
    7    HG   SER   1           HG       SER   1   2.091   1.739  -3.170
    8    H    VAL   2           HN       VAL   2   4.251   4.882  -3.986
    9    HA   VAL   2           HA       VAL   2   6.647   4.847  -2.425
   10    HB   VAL   2           HB       VAL   2   4.031   6.353  -2.086
   11   HG11  VAL   2          HG11      VAL   2   5.089   6.882  -0.112
   12   HG12  VAL   2          HG12      VAL   2   5.902   8.041  -1.163
   13   HG13  VAL   2          HG13      VAL   2   6.691   6.520  -0.751
   14   HG21  VAL   2          HG21      VAL   2   5.473   6.422  -4.299
   15   HG22  VAL   2          HG22      VAL   2   6.532   7.450  -3.335
   16   HG23  VAL   2          HG23      VAL   2   4.853   7.920  -3.605
   17    H    ALA   3           HN       ALA   3   3.244   4.334  -1.416
   18    HA   ALA   3           HA       ALA   3   3.770   3.687   1.307
   19    HB1  ALA   3           HB1      ALA   3   1.504   3.302   1.320
   20    HB2  ALA   3           HB2      ALA   3   1.570   2.291  -0.123
   21    HB3  ALA   3           HB3      ALA   3   1.594   4.048  -0.275
   22    H    GLY   4           HN       GLY   4   4.388   1.885  -1.582
   23    HA2  GLY   4           HA2      GLY   4   4.159  -0.783  -0.596
   24    HA3  GLY   4           HA1      GLY   4   5.212  -0.285  -1.921
   25    H    ARG   5           HN       ARG   5   6.772   1.601  -0.378
   26    HA   ARG   5           HA       ARG   5   8.360  -0.349   1.245
   27    HB2  ARG   5           HB2      ARG   5   9.055   2.198  -0.243
   28    HB3  ARG   5           HB1      ARG   5  10.207   1.295   0.741
   29    HG2  ARG   5           HG2      ARG   5  10.648   0.148  -1.166
   30    HG3  ARG   5           HG1      ARG   5   9.130  -0.688  -0.835
   31    HD2  ARG   5           HD2      ARG   5   8.467   0.081  -2.877
   32    HD3  ARG   5           HD1      ARG   5   8.301   1.661  -2.085
   33    HE   ARG   5           HE       ARG   5  11.011   1.484  -2.653
   34   HH11  ARG   5          HH21      ARG   5   8.072   1.201  -4.479
   35   HH12  ARG   5          HH22      ARG   5   8.787   1.784  -5.942
   36   HH21  ARG   5          HH11      ARG   5  11.929   2.241  -4.562
   37   HH22  ARG   5          HH12      ARG   5  10.959   2.370  -5.991
   38    H    ALA   6           HN       ALA   6   6.349   2.407   1.538
   39    HA   ALA   6           HA       ALA   6   7.496   3.964   3.577
   40    HB1  ALA   6           HB1      ALA   6   5.362   4.402   2.394
   41    HB2  ALA   6           HB2      ALA   6   5.138   4.470   4.143
   42    HB3  ALA   6           HB3      ALA   6   4.619   3.046   3.242
   43    H    GLN   7           HN       GLN   7   5.965   0.793   3.764
   44    HA   GLN   7           HA       GLN   7   6.489   0.709   6.712
   45    HB2  GLN   7           HB2      GLN   7   4.154   0.389   5.895
   46    HB3  GLN   7           HB1      GLN   7   4.702  -0.986   4.933
   47    HG2  GLN   7           HG2      GLN   7   3.789  -1.856   6.994
   48    HG3  GLN   7           HG1      GLN   7   5.542  -2.038   7.067
   49   HE21  GLN   7          HE21      GLN   7   2.799  -0.225   8.381
   50   HE22  GLN   7          HE22      GLN   7   3.664   0.512   9.643
   51    H    GLY   8           HN       GLY   8   7.264  -0.703   3.610
   52    HA2  GLY   8           HA2      GLY   8   9.342  -1.922   3.280
   53    HA3  GLY   8           HA1      GLY   8   9.246  -2.469   4.955
   54    H    MET   9           HN       MET   9   6.862  -2.539   2.291
   55    HA   MET   9           HA       MET   9   6.655  -5.505   2.712
   56    HB2  MET   9           HB2      MET   9   4.553  -3.427   2.016
   57    HB3  MET   9           HB1      MET   9   4.249  -5.160   2.130
   58    HG2  MET   9           HG2      MET   9   5.411  -3.540   4.408
   59    HG3  MET   9           HG1      MET   9   3.682  -3.831   4.219
   60    HE1  MET   9           HE1      MET   9   3.293  -6.684   6.389
   61    HE2  MET   9           HE2      MET   9   2.537  -5.532   5.292
   62    HE3  MET   9           HE3      MET   9   3.571  -4.949   6.595
   63    HN1  NH2  10           H1       NH2  10   8.385  -5.485   0.870
   64    HN2  NH2  10           H2       NH2  10   7.818  -5.364  -0.725