*HEADER    UNKNOWN FUNCTION                        27-NOV-19   6V4I              
*TITLE     DAND                                                                  
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DAND PEPTIDE;                                              
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: HOMO SAPIENS;                                   
*SOURCE   4 ORGANISM_COMMON: HUMAN;                                              
*SOURCE   5 ORGANISM_TAXID: 9606                                                 
*KEYWDS    CYCLIC PEPTIDE, UNKNOWN FUNCTION                                      
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    10                                                                    
*AUTHOR    H.N.HOANG                                                             
*REVDAT   2   15-NOV-23 6V4I    1                                                
*REVDAT   1   02-DEC-20 6V4I    0                                                
# Restraints file 1: DanD_noetable15.tbl
! DanD in DMSO cyclic NOE Assignment Table (from visual inspection)

! t-butG F P I P ITZ  10(S) 9-7(M) 6-4 (W) and 3-1 (vW)

!t-butG1
assi(resi 1  and name  HA )(resi  2  and name  HI* )       0.0 0.0 	4.3	  ! (13)s + 1.5
assi(resi 1  and name  HN )(resi  2  and name  HA )       0.0 0.0 	6.0	  ! 1 VW
assi(resi 1  and name  HN )(resi  4  and name  HG2* )       0.0 0.0 	6.0	  ! 1 vw
assi(resi 1  and name  HN )(resi  4  and name  HB )       0.0 0.0 	5.0	  ! 4 w
assi(resi 1  and name  HN )(resi  4  and name  HG1* )       0.0 0.0 	6.0	  ! 1 vw
assi(resi 1  and name  HN )(resi  6  and name  HN )       0.0 0.0 	6.0	  ! 2 vw
assi(resi 1  and name  HA )(resi  4  and name  HG2* )       0.0 0.0 	6.0	  ! 2 vw
assi(resi 1  and name  HG** )(resi  2  and name  HA )       0.0 0.0 	7.0	  ! 2 vw
assi(resi 1  and name  HG** )(resi  4  and name  HB )       0.0 0.0 	7.0	  ! 6 w
assi(resi 1  and name  HG** )(resi  4  and name  HG1* )       0.0 0.0 	7.0	  ! 2 vw


!F2
assi(resi 2  and name  HA  )(resi  4  and name  HN )       0.0 0.0 	5.0	  ! (9)M
assi(resi 2  and name  HE* )(resi  2  and name  HA )       0.0 0.0 	6.0	  ! 4 w 
assi(resi 2  and name  HD* )(resi  2  and name  HA )       0.0 0.0 	5.0	  ! 10 s + 1 
assi(resi 2  and name  HD* )(resi  3  and name  HA )       0.0 0.0 	5.0	  ! 9 m + 1
!assi(resi 2  and name  HE* )(resi  3  and name  HA )       0.0 0.0 	6.0	  ! 5 w +1
!assi(resi 2  and name  HE* )(resi  6  and name  HD* )       0.0 0.0 	6.0	  ! 6 w +1
!assi(resi 2  and name  HD* )(resi  6  and name  HD* )       0.0 0.0 	7.0	  ! 2 vw 
assi(resi 2  and name  HE* )(resi  2  and name  HB* )       0.0 0.0 	7.0	  ! 2,2
assi(resi 2  and name  HD* )(resi  2  and name  HB* )       0.0 0.0 	5.5	  ! 13,13 to m
assi(resi 2  and name  HE* )(resi  3  and name  HB1 )       0.0 0.0 	7.5	  ! 3 vw
assi(resi 2  and name  HD* )(resi  3  and name  HB1 )       0.0 0.0 	6.0	  ! 3 vw
assi(resi 2  and name  HA )(resi  1  and name  HN )       0.0 0.0 	6.0	  ! (1)vw
assi(resi 2  and name  HA )(resi  3  and name  HA )       0.0 0.0 	4.0	  ! (12)S, CIS AMIDE BOND to m
!assi(resi 2  and name  HI* )(resi  6  and name  HA )       0.0 0.0 	6.0	  ! 1
assi(resi 2  and name  HA )(resi  2  and name  HB1 )       0.0 0.0 	6.0	  ! 6 to vw
assi(resi 2  and name  HA )(resi  2  and name  HB2 )       0.0 0.0 	5.0	  ! 10


!P3
assi(resi 3  and name  HA   )(resi  4  and name  HN )       0.0 0.0 	5.0	  ! (6)W
assi(resi 3  and name  HD1   )(resi  4  and name  HN )       0.0 0.0 	6.0	  ! 4 VW
assi(resi 3  and name  HA   )(resi  4  and name  HA )       0.0 0.0 	6.0	  ! 2 VW





!I4
assi(resi 4  and name  HB  )(resi  6  and name  HN )       0.0 0.0 	6.0       ! 3 vW
assi(resi 4  and name  HG1*  )(resi  6  and name  HN )       0.0 0.0 	7.0       ! 3 vW
assi(resi 4  and name  HG2*  )(resi  6  and name  HN )       0.0 0.0 	7.0       ! 4 vW
assi(resi 4  and name  HA  )(resi  5  and name  HD* )       0.0 0.0 	4.0       ! 12 s
assi(resi 4  and name  HB  )(resi  5  and name  HD* )       0.0 0.0 	6.0       ! 6 W
assi(resi 4  and name  HG2*  )(resi  5  and name  HD* )       0.0 0.0 	6.0       ! 7 W
assi(resi 4  and name  HG2*  )(resi  5  and name  HG* )       0.0 0.0 	6.0       ! 3 vW
assi(resi 4  and name  HD1*  )(resi  5  and name  HG* )       0.0 0.0 	7.0       ! 1 vW
assi(resi 4  and name  HG2*  )(resi  6  and name  HG2* )       0.0 0.0 	7.0       ! 3 vW



!P5

assi(resi 5  and name  HA  )(resi  6  and name  HN )       0.0 0.0 	3.5       ! 11
assi(resi 5  and name  HA  )(resi  6  and name  HA )       0.0 0.0 	5.0       ! 5 w

!ITZ6





!H-Bonds

assign (resid  1 and name  O     )(resid 4 and name  HN   ) 1.88 0.4 0.42
assign (resid  1 and name  O     )(resid 4 and name  N    ) 2.88 0.4 0.4

assign (resid  4 and name  O     )(resid 1 and name  HN   ) 1.88 0.4 0.42
assign (resid  4 and name  O     )(resid 1 and name  N    ) 2.88 0.4 0.4


  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H    TBG   1           HN       TBG   1 -30.525 -30.679  29.830
    2    HA   TBG   1           HA       TBG   1 -32.963 -31.643  31.069
    3   HG11  TBG   1          HG11      TBG   1 -34.032 -33.769  30.560
    4   HG12  TBG   1          HG12      TBG   1 -32.537 -34.679  30.338
    5   HG13  TBG   1          HG13      TBG   1 -33.725 -34.604  29.037
    6   HG21  TBG   1          HG21      TBG   1 -30.904 -34.058  28.905
    7   HG22  TBG   1          HG22      TBG   1 -30.712 -32.387  28.373
    8   HG23  TBG   1          HG23      TBG   1 -31.743 -33.491  27.461
    9   HG31  TBG   1          HG31      TBG   1 -34.100 -32.686  27.785
   10   HG32  TBG   1          HG32      TBG   1 -33.031 -31.286  27.859
   11   HG33  TBG   1          HG33      TBG   1 -34.279 -31.507  29.085
   12    HC1  MEA   2           HI1      NHE   2 -33.127 -33.496  33.769
   13    HC2  MEA   2           HI2      NHE   2 -33.018 -34.346  32.234
   14    HC3  MEA   2           HI3      NHE   2 -33.502 -32.653  32.275
   15    HA   MEA   2           HA       NHE   2 -29.563 -33.055  33.484
   16    HB1  MEA   2           HB1      NHE   2 -31.064 -34.985  35.026
   17    HB2  MEA   2           HB2      NHE   2 -31.916 -33.448  34.970
   18    HD1  MEA   2           HD1      NHE   2 -30.639 -31.348  35.609
   19    HE1  MEA   2           HE1      NHE   2 -29.163 -30.442  37.357
   20    HZ   MEA   2           HZ       NHE   2 -27.734 -31.960  38.669
   21    HE2  MEA   2           HE2      NHE   2 -27.785 -34.382  38.226
   22    HD2  MEA   2           HD2      NHE   2 -29.264 -35.281  36.476
   23    HA   PRO   3           HA       PRO   3 -28.097 -34.127  34.458
   24    HB2  PRO   3           HB2      PRO   3 -25.693 -35.376  33.642
   25    HB3  PRO   3           HB1      PRO   3 -26.658 -35.754  35.068
   26    HG2  PRO   3           HG2      PRO   3 -26.265 -37.425  32.861
   27    HG3  PRO   3           HG1      PRO   3 -27.505 -37.623  34.109
   28    HD2  PRO   3           HD2      PRO   3 -27.733 -36.452  31.374
   29    HD3  PRO   3           HD1      PRO   3 -28.915 -37.402  32.302
   30    H    ILE   4           HN       ILE   4 -28.484 -33.769  31.300
   31    HA   ILE   4           HA       ILE   4 -26.051 -32.412  30.575
   32    HB   ILE   4           HB       ILE   4 -28.650 -32.973  29.227
   33   HG12  ILE   4          HG12      ILE   4 -26.759 -34.516  29.018
   34   HG13  ILE   4          HG11      ILE   4 -27.159 -33.793  27.462
   35   HG21  ILE   4          HG21      ILE   4 -27.908 -31.527  27.302
   36   HG22  ILE   4          HG22      ILE   4 -26.786 -30.755  28.423
   37   HG23  ILE   4          HG23      ILE   4 -28.524 -30.667  28.714
   38   HD11  ILE   4          HD11      ILE   4 -24.892 -33.619  27.425
   39   HD12  ILE   4          HD12      ILE   4 -24.766 -33.417  29.172
   40   HD13  ILE   4          HD13      ILE   4 -25.302 -32.072  28.165
   41    HA   PRO   5           HA       PRO   5 -27.129 -28.598  32.667
   42    HB2  PRO   5           HB2      PRO   5 -25.106 -27.479  30.811
   43    HB3  PRO   5           HB1      PRO   5 -25.198 -27.376  32.572
   44    HG2  PRO   5           HG2      PRO   5 -23.421 -28.970  31.389
   45    HG3  PRO   5           HG1      PRO   5 -24.247 -29.466  32.878
   46    HD2  PRO   5           HD2      PRO   5 -24.752 -30.314  30.054
   47    HD3  PRO   5           HD1      PRO   5 -24.800 -31.274  31.548
   48    H    ITZ   6           HN       ITZ   6 -26.543 -28.511  29.160
   49    HA   ITZ   6           HA       ITZ   6 -27.862 -26.166  28.528
   50    HB   ITZ   6           HB       ITZ   6 -27.830 -28.698  26.872
   51   HG12  ITZ   6          HG12      ITZ   6 -25.577 -27.922  27.523
   52   HG11  ITZ   6          HG11      ITZ   6 -25.856 -27.752  25.793
   53   HG23  ITZ   6          HG23      ITZ   6 -28.723 -25.922  26.328
   54   HG21  ITZ   6          HG21      ITZ   6 -29.351 -27.455  25.722
   55   HG22  ITZ   6          HG22      ITZ   6 -27.872 -26.777  25.042
   56   HD11  ITZ   6          HD11      ITZ   6 -24.711 -25.815  26.597
   57   HD12  ITZ   6          HD12      ITZ   6 -25.918 -25.569  27.860
   58   HD13  ITZ   6          HD13      ITZ   6 -26.358 -25.356  26.165
   59    HQ   ITZ   6           HQ       ITZ   6 -32.845 -26.997  28.955
  Start of MODEL    2
    1    H    TBG   1           HN       TBG   1 -30.467 -30.820  29.820
    2    HA   TBG   1           HA       TBG   1 -32.942 -31.877  30.909
    3   HG11  TBG   1          HG11      TBG   1 -33.193 -31.354  27.852
    4   HG12  TBG   1          HG12      TBG   1 -34.341 -31.847  29.097
    5   HG13  TBG   1          HG13      TBG   1 -34.094 -32.860  27.675
    6   HG21  TBG   1          HG21      TBG   1 -33.651 -34.176  30.429
    7   HG22  TBG   1          HG22      TBG   1 -32.198 -34.949  29.794
    8   HG23  TBG   1          HG23      TBG   1 -33.612 -34.744  28.759
    9   HG31  TBG   1          HG31      TBG   1 -30.733 -32.237  28.136
   10   HG32  TBG   1          HG32      TBG   1 -31.671 -33.386  27.184
   11   HG33  TBG   1          HG33      TBG   1 -30.700 -33.954  28.541
   12    HC1  MEA   2           HI1      NHE   2 -31.458 -30.690  32.263
   13    HC2  MEA   2           HI2      NHE   2 -31.332 -31.202  33.945
   14    HC3  MEA   2           HI3      NHE   2 -32.812 -31.510  33.038
   15    HA   MEA   2           HA       NHE   2 -29.403 -32.981  33.556
   16    HB1  MEA   2           HB1      NHE   2 -31.970 -34.064  34.733
   17    HB2  MEA   2           HB2      NHE   2 -31.105 -32.619  35.244
   18    HD1  MEA   2           HD1      NHE   2 -31.259 -36.241  35.418
   19    HE1  MEA   2           HE1      NHE   2 -29.988 -37.577  37.046
   20    HZ   MEA   2           HZ       NHE   2 -28.216 -36.518  38.390
   21    HE2  MEA   2           HE2      NHE   2 -27.722 -34.122  38.100
   22    HD2  MEA   2           HD2      NHE   2 -28.998 -32.793  36.470
   23    HA   PRO   3           HA       PRO   3 -27.938 -34.066  34.456
   24    HB2  PRO   3           HB2      PRO   3 -25.615 -35.211  33.795
   25    HB3  PRO   3           HB1      PRO   3 -26.763 -36.016  34.871
   26    HG2  PRO   3           HG2      PRO   3 -26.263 -36.467  31.956
   27    HG3  PRO   3           HG1      PRO   3 -26.522 -37.658  33.244
   28    HD2  PRO   3           HD2      PRO   3 -28.472 -36.822  31.491
   29    HD3  PRO   3           HD1      PRO   3 -28.797 -37.486  33.104
   30    H    ILE   4           HN       ILE   4 -28.761 -33.633  31.461
   31    HA   ILE   4           HA       ILE   4 -26.409 -32.453  30.303
   32    HB   ILE   4           HB       ILE   4 -29.299 -32.291  29.445
   33   HG12  ILE   4          HG12      ILE   4 -28.423 -34.573  29.396
   34   HG13  ILE   4          HG11      ILE   4 -28.648 -33.964  27.759
   35   HG21  ILE   4          HG21      ILE   4 -27.961 -30.420  28.599
   36   HG22  ILE   4          HG22      ILE   4 -28.472 -31.507  27.308
   37   HG23  ILE   4          HG23      ILE   4 -26.813 -31.567  27.906
   38   HD11  ILE   4          HD11      ILE   4 -26.575 -35.206  27.964
   39   HD12  ILE   4          HD12      ILE   4 -26.034 -34.116  29.240
   40   HD13  ILE   4          HD13      ILE   4 -26.258 -33.510  27.599
   41    HA   PRO   5           HA       PRO   5 -26.854 -28.662  32.700
   42    HB2  PRO   5           HB2      PRO   5 -24.916 -27.720  30.655
   43    HB3  PRO   5           HB1      PRO   5 -24.829 -27.624  32.417
   44    HG2  PRO   5           HG2      PRO   5 -23.346 -29.384  31.080
   45    HG3  PRO   5           HG1      PRO   5 -24.091 -29.813  32.632
   46    HD2  PRO   5           HD2      PRO   5 -24.920 -30.559  29.857
   47    HD3  PRO   5           HD1      PRO   5 -24.951 -31.530  31.344
   48    H    ITZ   6           HN       ITZ   6 -26.680 -28.607  29.157
   49    HA   ITZ   6           HA       ITZ   6 -27.950 -26.100  28.839
   50    HB   ITZ   6           HB       ITZ   6 -26.606 -27.171  27.054
   51   HG12  ITZ   6          HG12      ITZ   6 -28.289 -26.730  25.176
   52   HG11  ITZ   6          HG11      ITZ   6 -29.462 -26.410  26.450
   53   HG23  ITZ   6          HG23      ITZ   6 -28.766 -29.195  27.243
   54   HG21  ITZ   6          HG21      ITZ   6 -27.041 -29.401  26.941
   55   HG22  ITZ   6          HG22      ITZ   6 -28.103 -28.846  25.647
   56   HD11  ITZ   6          HD11      ITZ   6 -26.913 -24.961  26.672
   57   HD12  ITZ   6          HD12      ITZ   6 -28.566 -24.413  26.950
   58   HD13  ITZ   6          HD13      ITZ   6 -27.938 -24.524  25.305
   59    HQ   ITZ   6           HQ       ITZ   6 -32.898 -27.168  29.061
  Start of MODEL    3
    1    H    TBG   1           HN       TBG   1 -30.520 -30.727  29.847
    2    HA   TBG   1           HA       TBG   1 -32.960 -31.650  31.111
    3   HG11  TBG   1          HG11      TBG   1 -33.122 -31.321  27.903
    4   HG12  TBG   1          HG12      TBG   1 -34.308 -31.501  29.195
    5   HG13  TBG   1          HG13      TBG   1 -34.217 -32.704  27.909
    6   HG21  TBG   1          HG21      TBG   1 -32.640 -34.564  30.591
    7   HG22  TBG   1          HG22      TBG   1 -33.548 -34.742  29.090
    8   HG23  TBG   1          HG23      TBG   1 -34.215 -33.789  30.416
    9   HG31  TBG   1          HG31      TBG   1 -31.792 -33.341  27.444
   10   HG32  TBG   1          HG32      TBG   1 -31.062 -34.179  28.813
   11   HG33  TBG   1          HG33      TBG   1 -30.688 -32.481  28.518
   12    HC1  MEA   2           HI1      NHE   2 -33.109 -31.982  33.448
   13    HC2  MEA   2           HI2      NHE   2 -33.119 -33.718  33.749
   14    HC3  MEA   2           HI3      NHE   2 -33.524 -33.101  32.154
   15    HA   MEA   2           HA       NHE   2 -29.650 -33.134  33.624
   16    HB1  MEA   2           HB1      NHE   2 -31.872 -34.879  34.697
   17    HB2  MEA   2           HB2      NHE   2 -31.575 -33.235  35.250
   18    HD1  MEA   2           HD1      NHE   2 -29.663 -32.704  36.620
   19    HE1  MEA   2           HE1      NHE   2 -28.020 -33.544  38.249
   20    HZ   MEA   2           HZ       NHE   2 -27.541 -35.956  38.380
   21    HE2  MEA   2           HE2      NHE   2 -28.706 -37.523  36.879
   22    HD2  MEA   2           HD2      NHE   2 -30.346 -36.676  35.252
   23    HA   PRO   3           HA       PRO   3 -28.144 -34.100  34.430
   24    HB2  PRO   3           HB2      PRO   3 -25.745 -35.183  34.077
   25    HB3  PRO   3           HB1      PRO   3 -27.024 -36.078  34.906
   26    HG2  PRO   3           HG2      PRO   3 -25.994 -36.381  32.126
   27    HG3  PRO   3           HG1      PRO   3 -26.562 -37.622  33.255
   28    HD2  PRO   3           HD2      PRO   3 -28.046 -36.456  31.165
   29    HD3  PRO   3           HD1      PRO   3 -28.689 -37.455  32.482
   30    H    ILE   4           HN       ILE   4 -28.499 -33.707  31.286
   31    HA   ILE   4           HA       ILE   4 -26.051 -32.374  30.575
   32    HB   ILE   4           HB       ILE   4 -28.638 -32.928  29.216
   33   HG12  ILE   4          HG12      ILE   4 -27.187 -33.767  27.473
   34   HG13  ILE   4          HG11      ILE   4 -25.779 -33.040  28.241
   35   HG21  ILE   4          HG21      ILE   4 -26.872 -30.602  28.550
   36   HG22  ILE   4          HG22      ILE   4 -28.631 -30.670  28.655
   37   HG23  ILE   4          HG23      ILE   4 -27.798 -31.432  27.300
   38   HD11  ILE   4          HD11      ILE   4 -27.411 -35.076  29.694
   39   HD12  ILE   4          HD12      ILE   4 -25.721 -34.625  29.922
   40   HD13  ILE   4          HD13      ILE   4 -26.199 -35.565  28.509
   41    HA   PRO   5           HA       PRO   5 -27.083 -28.550  32.667
   42    HB2  PRO   5           HB2      PRO   5 -25.038 -27.463  30.814
   43    HB3  PRO   5           HB1      PRO   5 -25.131 -27.359  32.575
   44    HG2  PRO   5           HG2      PRO   5 -23.376 -28.979  31.393
   45    HG3  PRO   5           HG1      PRO   5 -24.210 -29.462  32.882
   46    HD2  PRO   5           HD2      PRO   5 -24.726 -30.302  30.059
   47    HD3  PRO   5           HD1      PRO   5 -24.788 -31.261  31.553
   48    H    ITZ   6           HN       ITZ   6 -26.579 -28.611  29.157
   49    HA   ITZ   6           HA       ITZ   6 -27.844 -26.221  28.491
   50    HB   ITZ   6           HB       ITZ   6 -27.860 -28.782  26.877
   51   HG12  ITZ   6          HG12      ITZ   6 -25.902 -26.474  26.853
   52   HG11  ITZ   6          HG11      ITZ   6 -25.587 -28.072  27.522
   53   HG23  ITZ   6          HG23      ITZ   6 -28.753 -26.027  26.332
   54   HG21  ITZ   6          HG21      ITZ   6 -29.290 -27.556  25.636
   55   HG22  ITZ   6          HG22      ITZ   6 -27.806 -26.798  25.059
   56   HD11  ITZ   6          HD11      ITZ   6 -24.857 -27.336  25.065
   57   HD12  ITZ   6          HD12      ITZ   6 -26.460 -27.980  24.708
   58   HD13  ITZ   6          HD13      ITZ   6 -25.255 -28.999  25.496
   59    HQ   ITZ   6           HQ       ITZ   6 -32.822 -27.025  28.985
  Start of MODEL    4
    1    H    TBG   1           HN       TBG   1 -30.403 -30.869  29.809
    2    HA   TBG   1           HA       TBG   1 -32.893 -31.948  30.863
    3   HG11  TBG   1          HG11      TBG   1 -32.115 -35.011  29.853
    4   HG12  TBG   1          HG12      TBG   1 -33.459 -34.838  28.725
    5   HG13  TBG   1          HG13      TBG   1 -33.606 -34.224  30.372
    6   HG21  TBG   1          HG21      TBG   1 -30.580 -32.338  28.158
    7   HG22  TBG   1          HG22      TBG   1 -31.474 -33.534  27.222
    8   HG23  TBG   1          HG23      TBG   1 -30.546 -34.035  28.634
    9   HG31  TBG   1          HG31      TBG   1 -32.971 -31.436  27.787
   10   HG32  TBG   1          HG32      TBG   1 -34.199 -31.912  28.961
   11   HG33  TBG   1          HG33      TBG   1 -33.871 -32.935  27.562
   12    HC1  MEA   2           HI1      NHE   2 -31.406 -30.781  32.264
   13    HC2  MEA   2           HI2      NHE   2 -31.395 -31.273  33.956
   14    HC3  MEA   2           HI3      NHE   2 -32.839 -31.521  32.975
   15    HA   MEA   2           HA       NHE   2 -29.521 -33.098  33.679
   16    HB1  MEA   2           HB1      NHE   2 -31.821 -34.577  34.888
   17    HB2  MEA   2           HB2      NHE   2 -31.769 -32.825  35.031
   18    HD1  MEA   2           HD1      NHE   2 -31.250 -35.522  36.897
   19    HE1  MEA   2           HE1      NHE   2 -29.732 -35.724  38.822
   20    HZ   MEA   2           HZ       NHE   2 -27.857 -34.148  39.081
   21    HE2  MEA   2           HE2      NHE   2 -27.508 -32.371  37.412
   22    HD2  MEA   2           HD2      NHE   2 -29.032 -32.175  35.490
   23    HA   PRO   3           HA       PRO   3 -27.995 -34.011  34.293
   24    HB2  PRO   3           HB2      PRO   3 -25.753 -35.385  33.911
   25    HB3  PRO   3           HB1      PRO   3 -26.997 -35.982  35.016
   26    HG2  PRO   3           HG2      PRO   3 -26.319 -36.884  32.261
   27    HG3  PRO   3           HG1      PRO   3 -26.878 -37.832  33.648
   28    HD2  PRO   3           HD2      PRO   3 -28.456 -36.878  31.513
   29    HD3  PRO   3           HD1      PRO   3 -29.044 -37.581  33.031
   30    H    ILE   4           HN       ILE   4 -28.802 -32.909  32.025
   31    HA   ILE   4           HA       ILE   4 -26.365 -32.401  30.462
   32    HB   ILE   4           HB       ILE   4 -29.236 -32.275  29.532
   33   HG12  ILE   4          HG12      ILE   4 -28.389 -34.566  29.789
   34   HG13  ILE   4          HG11      ILE   4 -28.636 -34.161  28.093
   35   HG21  ILE   4          HG21      ILE   4 -27.116 -32.157  27.528
   36   HG22  ILE   4          HG22      ILE   4 -27.186 -30.752  28.590
   37   HG23  ILE   4          HG23      ILE   4 -28.608 -31.227  27.663
   38   HD11  ILE   4          HD11      ILE   4 -26.532 -34.653  27.634
   39   HD12  ILE   4          HD12      ILE   4 -26.329 -35.181  29.305
   40   HD13  ILE   4          HD13      ILE   4 -25.957 -33.516  28.854
   41    HA   PRO   5           HA       PRO   5 -26.628 -28.434  32.614
   42    HB2  PRO   5           HB2      PRO   5 -24.889 -27.805  30.265
   43    HB3  PRO   5           HB1      PRO   5 -24.690 -27.351  31.962
   44    HG2  PRO   5           HG2      PRO   5 -23.276 -29.351  30.922
   45    HG3  PRO   5           HG1      PRO   5 -23.917 -29.450  32.572
   46    HD2  PRO   5           HD2      PRO   5 -24.816 -30.840  30.107
   47    HD3  PRO   5           HD1      PRO   5 -24.916 -31.361  31.801
   48    H    ITZ   6           HN       ITZ   6 -26.608 -28.420  29.054
   49    HA   ITZ   6           HA       ITZ   6 -28.036 -26.011  28.794
   50    HB   ITZ   6           HB       ITZ   6 -28.572 -26.867  26.454
   51   HG12  ITZ   6          HG12      ITZ   6 -28.074 -29.318  27.464
   52   HG11  ITZ   6          HG11      ITZ   6 -27.941 -28.932  25.755
   53   HG23  ITZ   6          HG23      ITZ   6 -26.224 -26.600  25.705
   54   HG21  ITZ   6          HG21      ITZ   6 -25.715 -26.689  27.392
   55   HG22  ITZ   6          HG22      ITZ   6 -26.744 -25.364  26.851
   56   HD11  ITZ   6          HD11      ITZ   6 -25.674 -29.069  25.763
   57   HD12  ITZ   6          HD12      ITZ   6 -26.033 -30.201  27.066
   58   HD13  ITZ   6          HD13      ITZ   6 -25.532 -28.553  27.442
   59    HQ   ITZ   6           HQ       ITZ   6 -32.924 -27.249  29.152
  Start of MODEL    5
    1    H    TBG   1           HN       TBG   1 -30.482 -30.681  29.817
    2    HA   TBG   1           HA       TBG   1 -32.928 -31.703  30.993
    3   HG11  TBG   1          HG11      TBG   1 -33.944 -32.728  27.640
    4   HG12  TBG   1          HG12      TBG   1 -33.073 -31.223  27.940
    5   HG13  TBG   1          HG13      TBG   1 -34.339 -31.747  29.051
    6   HG21  TBG   1          HG21      TBG   1 -34.047 -33.910  30.249
    7   HG22  TBG   1          HG22      TBG   1 -32.439 -34.614  30.415
    8   HG23  TBG   1          HG23      TBG   1 -33.326 -34.789  28.902
    9   HG31  TBG   1          HG31      TBG   1 -31.607 -33.272  27.328
   10   HG32  TBG   1          HG32      TBG   1 -30.853 -34.093  28.694
   11   HG33  TBG   1          HG33      TBG   1 -30.571 -32.371  28.437
   12    HC1  MEA   2           HI1      NHE   2 -33.349 -33.288  32.010
   13    HC2  MEA   2           HI2      NHE   2 -33.174 -32.023  33.224
   14    HC3  MEA   2           HI3      NHE   2 -32.970 -33.715  33.673
   15    HA   MEA   2           HA       NHE   2 -29.482 -33.016  33.473
   16    HB1  MEA   2           HB1      NHE   2 -31.286 -34.769  35.008
   17    HB2  MEA   2           HB2      NHE   2 -31.728 -33.066  35.032
   18    HD1  MEA   2           HD1      NHE   2 -30.220 -35.346  36.954
   19    HE1  MEA   2           HE1      NHE   2 -28.522 -34.919  38.684
   20    HZ   MEA   2           HZ       NHE   2 -27.220 -32.829  38.640
   21    HE2  MEA   2           HE2      NHE   2 -27.621 -31.170  36.865
   22    HD2  MEA   2           HD2      NHE   2 -29.320 -31.603  35.139
   23    HA   PRO   3           HA       PRO   3 -28.033 -34.174  34.494
   24    HB2  PRO   3           HB2      PRO   3 -25.690 -35.321  33.946
   25    HB3  PRO   3           HB1      PRO   3 -26.920 -36.162  34.898
   26    HG2  PRO   3           HG2      PRO   3 -26.208 -36.486  32.010
   27    HG3  PRO   3           HG1      PRO   3 -26.584 -37.729  33.216
   28    HD2  PRO   3           HD2      PRO   3 -28.379 -36.752  31.357
   29    HD3  PRO   3           HD1      PRO   3 -28.833 -37.527  32.886
   30    H    ILE   4           HN       ILE   4 -28.522 -33.803  31.322
   31    HA   ILE   4           HA       ILE   4 -26.092 -32.460  30.565
   32    HB   ILE   4           HB       ILE   4 -28.731 -32.924  29.235
   33   HG12  ILE   4          HG12      ILE   4 -26.963 -34.609  29.061
   34   HG13  ILE   4          HG11      ILE   4 -27.299 -33.885  27.492
   35   HG21  ILE   4          HG21      ILE   4 -28.394 -30.624  28.719
   36   HG22  ILE   4          HG22      ILE   4 -27.932 -31.564  27.301
   37   HG23  ILE   4          HG23      ILE   4 -26.689 -30.897  28.359
   38   HD11  ILE   4          HD11      ILE   4 -24.862 -33.843  29.108
   39   HD12  ILE   4          HD12      ILE   4 -25.297 -32.294  28.384
   40   HD13  ILE   4          HD13      ILE   4 -25.077 -33.715  27.362
   41    HA   PRO   5           HA       PRO   5 -27.064 -28.629  32.651
   42    HB2  PRO   5           HB2      PRO   5 -25.148 -27.524  30.677
   43    HB3  PRO   5           HB1      PRO   5 -25.143 -27.405  32.440
   44    HG2  PRO   5           HG2      PRO   5 -23.433 -29.010  31.177
   45    HG3  PRO   5           HG1      PRO   5 -24.180 -29.496  32.711
   46    HD2  PRO   5           HD2      PRO   5 -24.833 -30.359  29.923
   47    HD3  PRO   5           HD1      PRO   5 -24.803 -31.310  31.423
   48    H    ITZ   6           HN       ITZ   6 -26.505 -28.321  29.150
   49    HA   ITZ   6           HA       ITZ   6 -27.947 -26.042  28.648
   50    HB   ITZ   6           HB       ITZ   6 -28.206 -26.772  26.352
   51   HG12  ITZ   6          HG12      ITZ   6 -27.035 -29.450  26.815
   52   HG11  ITZ   6          HG11      ITZ   6 -28.706 -29.247  27.329
   53   HG23  ITZ   6          HG23      ITZ   6 -25.587 -27.973  27.092
   54   HG21  ITZ   6          HG21      ITZ   6 -25.893 -26.286  27.504
   55   HG22  ITZ   6          HG22      ITZ   6 -25.980 -26.813  25.823
   56   HD11  ITZ   6          HD11      ITZ   6 -28.292 -30.113  24.979
   57   HD12  ITZ   6          HD12      ITZ   6 -27.793 -28.468  24.586
   58   HD13  ITZ   6          HD13      ITZ   6 -29.432 -28.779  25.159
   59    HQ   ITZ   6           HQ       ITZ   6 -32.899 -27.061  28.923
  Start of MODEL    6
    1    H    TBG   1           HN       TBG   1 -30.488 -30.717  29.816
    2    HA   TBG   1           HA       TBG   1 -32.933 -31.702  31.030
    3   HG11  TBG   1          HG11      TBG   1 -34.116 -33.861  30.314
    4   HG12  TBG   1          HG12      TBG   1 -32.528 -34.615  30.454
    5   HG13  TBG   1          HG13      TBG   1 -33.448 -34.769  28.958
    6   HG21  TBG   1          HG21      TBG   1 -31.724 -33.445  27.378
    7   HG22  TBG   1          HG22      TBG   1 -30.872 -34.072  28.789
    8   HG23  TBG   1          HG23      TBG   1 -30.688 -32.380  28.328
    9   HG31  TBG   1          HG31      TBG   1 -33.041 -31.314  27.833
   10   HG32  TBG   1          HG32      TBG   1 -34.255 -31.546  29.091
   11   HG33  TBG   1          HG33      TBG   1 -34.108 -32.717  27.780
   12    HC1  MEA   2           HI1      NHE   2 -32.981 -33.661  33.737
   13    HC2  MEA   2           HI2      NHE   2 -33.372 -33.273  32.067
   14    HC3  MEA   2           HI3      NHE   2 -33.143 -31.979  33.241
   15    HA   MEA   2           HA       NHE   2 -29.483 -33.081  33.478
   16    HB1  MEA   2           HB1      NHE   2 -31.383 -34.781  34.989
   17    HB2  MEA   2           HB2      NHE   2 -31.670 -33.046  35.073
   18    HD1  MEA   2           HD1      NHE   2 -29.631 -35.781  36.203
   19    HE1  MEA   2           HE1      NHE   2 -27.890 -35.569  37.928
   20    HZ   MEA   2           HZ       NHE   2 -27.130 -33.338  38.642
   21    HE2  MEA   2           HE2      NHE   2 -28.118 -31.323  37.628
   22    HD2  MEA   2           HD2      NHE   2 -29.860 -31.543  35.904
   23    HA   PRO   3           HA       PRO   3 -28.050 -34.187  34.409
   24    HB2  PRO   3           HB2      PRO   3 -25.777 -35.504  34.029
   25    HB3  PRO   3           HB1      PRO   3 -27.095 -36.233  34.955
   26    HG2  PRO   3           HG2      PRO   3 -26.245 -36.750  32.139
   27    HG3  PRO   3           HG1      PRO   3 -26.811 -37.894  33.368
   28    HD2  PRO   3           HD2      PRO   3 -28.366 -36.787  31.325
   29    HD3  PRO   3           HD1      PRO   3 -28.986 -37.587  32.782
   30    H    ILE   4           HN       ILE   4 -28.710 -33.360  31.649
   31    HA   ILE   4           HA       ILE   4 -26.093 -32.407  30.721
   32    HB   ILE   4           HB       ILE   4 -28.663 -32.957  29.317
   33   HG12  ILE   4          HG12      ILE   4 -27.212 -33.972  27.687
   34   HG13  ILE   4          HG11      ILE   4 -25.792 -33.235  28.420
   35   HG21  ILE   4          HG21      ILE   4 -27.893 -31.599  27.372
   36   HG22  ILE   4          HG22      ILE   4 -26.704 -30.849  28.437
   37   HG23  ILE   4          HG23      ILE   4 -28.427 -30.651  28.760
   38   HD11  ILE   4          HD11      ILE   4 -26.384 -35.740  28.853
   39   HD12  ILE   4          HD12      ILE   4 -27.473 -35.058  30.061
   40   HD13  ILE   4          HD13      ILE   4 -25.743 -34.730  30.149
   41    HA   PRO   5           HA       PRO   5 -26.978 -28.467  32.621
   42    HB2  PRO   5           HB2      PRO   5 -25.074 -27.544  30.529
   43    HB3  PRO   5           HB1      PRO   5 -25.067 -27.244  32.271
   44    HG2  PRO   5           HG2      PRO   5 -23.376 -28.991  31.197
   45    HG3  PRO   5           HG1      PRO   5 -24.152 -29.322  32.758
   46    HD2  PRO   5           HD2      PRO   5 -24.760 -30.445  30.059
   47    HD3  PRO   5           HD1      PRO   5 -24.805 -31.235  31.648
   48    H    ITZ   6           HN       ITZ   6 -26.504 -28.340  29.092
   49    HA   ITZ   6           HA       ITZ   6 -27.954 -26.069  28.541
   50    HB   ITZ   6           HB       ITZ   6 -26.615 -27.334  26.868
   51   HG12  ITZ   6          HG12      ITZ   6 -29.225 -27.110  25.517
   52   HG11  ITZ   6          HG11      ITZ   6 -28.765 -25.702  26.469
   53   HG23  ITZ   6          HG23      ITZ   6 -28.320 -29.041  25.631
   54   HG21  ITZ   6          HG21      ITZ   6 -28.732 -29.312  27.324
   55   HG22  ITZ   6          HG22      ITZ   6 -27.070 -29.528  26.776
   56   HD11  ITZ   6          HD11      ITZ   6 -26.565 -25.755  25.225
   57   HD12  ITZ   6          HD12      ITZ   6 -27.990 -25.297  24.293
   58   HD13  ITZ   6          HD13      ITZ   6 -27.322 -26.923  24.142
   59    HQ   ITZ   6           HQ       ITZ   6 -32.891 -27.070  28.972
  Start of MODEL    7
    1    H    TBG   1           HN       TBG   1 -30.463 -30.823  29.839
    2    HA   TBG   1           HA       TBG   1 -32.913 -31.703  31.122
    3   HG11  TBG   1          HG11      TBG   1 -30.903 -34.213  29.013
    4   HG12  TBG   1          HG12      TBG   1 -30.705 -32.559  28.435
    5   HG13  TBG   1          HG13      TBG   1 -31.755 -33.677  27.565
    6   HG21  TBG   1          HG21      TBG   1 -33.029 -31.499  27.881
    7   HG22  TBG   1          HG22      TBG   1 -34.233 -31.603  29.166
    8   HG23  TBG   1          HG23      TBG   1 -34.141 -32.867  27.939
    9   HG31  TBG   1          HG31      TBG   1 -34.200 -33.844  30.466
   10   HG32  TBG   1          HG32      TBG   1 -32.635 -34.611  30.733
   11   HG33  TBG   1          HG33      TBG   1 -33.493 -34.865  29.214
   12    HC1  MEA   2           HI1      NHE   2 -33.113 -32.149  33.603
   13    HC2  MEA   2           HI2      NHE   2 -33.150 -33.909  33.661
   14    HC3  MEA   2           HI3      NHE   2 -33.521 -33.072  32.161
   15    HA   MEA   2           HA       NHE   2 -29.602 -33.265  33.546
   16    HB1  MEA   2           HB1      NHE   2 -30.389 -34.622  35.516
   17    HB2  MEA   2           HB2      NHE   2 -32.035 -34.378  34.949
   18    HD1  MEA   2           HD1      NHE   2 -28.985 -32.508  35.952
   19    HE1  MEA   2           HE1      NHE   2 -29.076 -30.371  37.167
   20    HZ   MEA   2           HZ       NHE   2 -31.249 -29.299  37.610
   21    HE2  MEA   2           HE2      NHE   2 -33.327 -30.372  36.837
   22    HD2  MEA   2           HD2      NHE   2 -33.228 -32.511  35.624
   23    HA   PRO   3           HA       PRO   3 -28.064 -34.149  34.121
   24    HB2  PRO   3           HB2      PRO   3 -25.845 -35.569  33.786
   25    HB3  PRO   3           HB1      PRO   3 -27.115 -36.129  34.880
   26    HG2  PRO   3           HG2      PRO   3 -26.372 -37.119  32.183
   27    HG3  PRO   3           HG1      PRO   3 -27.074 -37.998  33.551
   28    HD2  PRO   3           HD2      PRO   3 -28.438 -36.909  31.286
   29    HD3  PRO   3           HD1      PRO   3 -29.152 -37.714  32.696
   30    H    ILE   4           HN       ILE   4 -28.400 -32.530  32.399
   31    HA   ILE   4           HA       ILE   4 -26.001 -32.151  30.850
   32    HB   ILE   4           HB       ILE   4 -28.587 -32.837  29.541
   33   HG12  ILE   4          HG12      ILE   4 -26.758 -34.427  29.476
   34   HG13  ILE   4          HG11      ILE   4 -27.049 -33.801  27.857
   35   HG21  ILE   4          HG21      ILE   4 -28.563 -30.712  28.652
   36   HG22  ILE   4          HG22      ILE   4 -27.631 -31.617  27.459
   37   HG23  ILE   4          HG23      ILE   4 -26.802 -30.618  28.653
   38   HD11  ILE   4          HD11      ILE   4 -24.747 -33.798  28.021
   39   HD12  ILE   4          HD12      ILE   4 -24.765 -33.266  29.702
   40   HD13  ILE   4          HD13      ILE   4 -25.167 -32.131  28.413
   41    HA   PRO   5           HA       PRO   5 -26.989 -28.122  32.600
   42    HB2  PRO   5           HB2      PRO   5 -24.924 -27.393  30.571
   43    HB3  PRO   5           HB1      PRO   5 -25.055 -26.910  32.266
   44    HG2  PRO   5           HG2      PRO   5 -23.304 -28.768  31.526
   45    HG3  PRO   5           HG1      PRO   5 -24.207 -28.925  33.044
   46    HD2  PRO   5           HD2      PRO   5 -24.575 -30.362  30.461
   47    HD3  PRO   5           HD1      PRO   5 -24.827 -30.937  32.121
   48    H    ITZ   6           HN       ITZ   6 -26.572 -28.650  29.121
   49    HA   ITZ   6           HA       ITZ   6 -27.849 -26.328  28.212
   50    HB   ITZ   6           HB       ITZ   6 -27.836 -29.036  26.862
   51   HG12  ITZ   6          HG12      ITZ   6 -25.923 -27.577  25.598
   52   HG11  ITZ   6          HG11      ITZ   6 -25.755 -26.971  27.243
   53   HG23  ITZ   6          HG23      ITZ   6 -28.474 -26.266  25.922
   54   HG21  ITZ   6          HG21      ITZ   6 -29.387 -27.759  25.697
   55   HG22  ITZ   6          HG22      ITZ   6 -27.893 -27.494  24.797
   56   HD11  ITZ   6          HD11      ITZ   6 -25.920 -29.891  26.998
   57   HD12  ITZ   6          HD12      ITZ   6 -24.862 -28.886  27.989
   58   HD13  ITZ   6          HD13      ITZ   6 -24.490 -29.145  26.285
   59    HQ   ITZ   6           HQ       ITZ   6 -32.798 -27.164  28.855
  Start of MODEL    8
    1    H    TBG   1           HN       TBG   1 -30.448 -30.732  29.804
    2    HA   TBG   1           HA       TBG   1 -32.905 -31.757  30.945
    3   HG11  TBG   1          HG11      TBG   1 -34.272 -31.703  29.065
    4   HG12  TBG   1          HG12      TBG   1 -34.039 -32.793  27.698
    5   HG13  TBG   1          HG13      TBG   1 -33.076 -31.322  27.826
    6   HG21  TBG   1          HG21      TBG   1 -33.363 -34.801  28.827
    7   HG22  TBG   1          HG22      TBG   1 -33.953 -33.981  30.273
    8   HG23  TBG   1          HG23      TBG   1 -32.347 -34.712  30.266
    9   HG31  TBG   1          HG31      TBG   1 -31.630 -33.422  27.286
   10   HG32  TBG   1          HG32      TBG   1 -30.733 -34.008  28.686
   11   HG33  TBG   1          HG33      TBG   1 -30.650 -32.305  28.235
   12    HC1  MEA   2           HI1      NHE   2 -32.906 -33.465  33.765
   13    HC2  MEA   2           HI2      NHE   2 -33.254 -33.361  32.042
   14    HC3  MEA   2           HI3      NHE   2 -33.122 -31.890  33.007
   15    HA   MEA   2           HA       NHE   2 -29.406 -32.993  33.459
   16    HB1  MEA   2           HB1      NHE   2 -31.364 -34.582  35.023
   17    HB2  MEA   2           HB2      NHE   2 -31.577 -32.834  35.046
   18    HD1  MEA   2           HD1      NHE   2 -30.307 -35.346  36.901
   19    HE1  MEA   2           HE1      NHE   2 -28.559 -35.151  38.622
   20    HZ   MEA   2           HZ       NHE   2 -27.055 -33.201  38.631
   21    HE2  MEA   2           HE2      NHE   2 -27.306 -31.449  36.919
   22    HD2  MEA   2           HD2      NHE   2 -29.057 -31.651  35.202
   23    HA   PRO   3           HA       PRO   3 -27.947 -34.173  34.487
   24    HB2  PRO   3           HB2      PRO   3 -25.717 -35.554  33.297
   25    HB3  PRO   3           HB1      PRO   3 -26.368 -35.719  34.928
   26    HG2  PRO   3           HG2      PRO   3 -26.498 -37.683  33.018
   27    HG3  PRO   3           HG1      PRO   3 -27.632 -37.536  34.373
   28    HD2  PRO   3           HD2      PRO   3 -27.965 -36.685  31.520
   29    HD3  PRO   3           HD1      PRO   3 -29.137 -37.456  32.612
   30    H    ILE   4           HN       ILE   4 -28.641 -33.754  31.385
   31    HA   ILE   4           HA       ILE   4 -26.249 -32.466  30.438
   32    HB   ILE   4           HB       ILE   4 -29.053 -32.582  29.336
   33   HG12  ILE   4          HG12      ILE   4 -27.807 -34.665  29.179
   34   HG13  ILE   4          HG11      ILE   4 -27.976 -33.948  27.579
   35   HG21  ILE   4          HG21      ILE   4 -28.127 -31.559  27.286
   36   HG22  ILE   4          HG22      ILE   4 -26.644 -31.210  28.174
   37   HG23  ILE   4          HG23      ILE   4 -28.164 -30.464  28.668
   38   HD11  ILE   4          HD11      ILE   4 -25.566 -34.397  29.214
   39   HD12  ILE   4          HD12      ILE   4 -25.616 -32.908  28.269
   40   HD13  ILE   4          HD13      ILE   4 -25.789 -34.468  27.466
   41    HA   PRO   5           HA       PRO   5 -27.013 -28.652  32.667
   42    HB2  PRO   5           HB2      PRO   5 -25.085 -27.571  30.695
   43    HB3  PRO   5           HB1      PRO   5 -25.037 -27.522  32.460
   44    HG2  PRO   5           HG2      PRO   5 -23.425 -29.146  31.090
   45    HG3  PRO   5           HG1      PRO   5 -24.149 -29.655  32.628
   46    HD2  PRO   5           HD2      PRO   5 -24.924 -30.386  29.832
   47    HD3  PRO   5           HD1      PRO   5 -24.875 -31.397  31.291
   48    H    ITZ   6           HN       ITZ   6 -26.534 -28.383  29.151
   49    HA   ITZ   6           HA       ITZ   6 -27.939 -26.033  28.728
   50    HB   ITZ   6           HB       ITZ   6 -28.225 -26.725  26.404
   51   HG12  ITZ   6          HG12      ITZ   6 -26.977 -29.383  26.957
   52   HG11  ITZ   6          HG11      ITZ   6 -28.706 -29.193  27.236
   53   HG23  ITZ   6          HG23      ITZ   6 -26.034 -26.522  25.903
   54   HG21  ITZ   6          HG21      ITZ   6 -25.556 -27.850  26.961
   55   HG22  ITZ   6          HG22      ITZ   6 -25.887 -26.257  27.640
   56   HD11  ITZ   6          HD11      ITZ   6 -28.961 -29.693  25.091
   57   HD12  ITZ   6          HD12      ITZ   6 -27.243 -29.476  24.756
   58   HD13  ITZ   6          HD13      ITZ   6 -28.327 -28.085  24.742
   59    HQ   ITZ   6           HQ       ITZ   6 -32.883 -27.104  28.956
  Start of MODEL    9
    1    H    TBG   1           HN       TBG   1 -30.498 -30.662  29.835
    2    HA   TBG   1           HA       TBG   1 -32.937 -31.648  31.053
    3   HG11  TBG   1          HG11      TBG   1 -33.978 -32.682  27.695
    4   HG12  TBG   1          HG12      TBG   1 -33.087 -31.189  27.993
    5   HG13  TBG   1          HG13      TBG   1 -34.368 -31.687  29.099
    6   HG21  TBG   1          HG21      TBG   1 -32.535 -34.551  30.527
    7   HG22  TBG   1          HG22      TBG   1 -33.411 -34.747  29.009
    8   HG23  TBG   1          HG23      TBG   1 -34.127 -33.818  30.326
    9   HG31  TBG   1          HG31      TBG   1 -30.802 -33.978  28.902
   10   HG32  TBG   1          HG32      TBG   1 -30.715 -32.321  28.304
   11   HG33  TBG   1          HG33      TBG   1 -31.699 -33.514  27.455
   12    HC1  MEA   2           HI1      NHE   2 -33.061 -33.840  33.610
   13    HC2  MEA   2           HI2      NHE   2 -33.464 -33.107  32.064
   14    HC3  MEA   2           HI3      NHE   2 -33.130 -32.087  33.461
   15    HA   MEA   2           HA       NHE   2 -29.564 -33.074  33.505
   16    HB1  MEA   2           HB1      NHE   2 -30.256 -34.517  35.405
   17    HB2  MEA   2           HB2      NHE   2 -31.902 -34.505  34.787
   18    HD1  MEA   2           HD1      NHE   2 -29.637 -31.593  34.770
   19    HE1  MEA   2           HE1      NHE   2 -30.093 -29.537  36.039
   20    HZ   MEA   2           HZ       NHE   2 -31.984 -29.458  37.615
   21    HE2  MEA   2           HE2      NHE   2 -33.412 -31.442  37.919
   22    HD2  MEA   2           HD2      NHE   2 -32.950 -33.495  36.647
   23    HA   PRO   3           HA       PRO   3 -28.139 -34.130  34.477
   24    HB2  PRO   3           HB2      PRO   3 -25.722 -35.383  33.745
   25    HB3  PRO   3           HB1      PRO   3 -26.743 -35.777  35.128
   26    HG2  PRO   3           HG2      PRO   3 -26.264 -37.409  32.894
   27    HG3  PRO   3           HG1      PRO   3 -27.512 -37.653  34.125
   28    HD2  PRO   3           HD2      PRO   3 -27.738 -36.466  31.401
   29    HD3  PRO   3           HD1      PRO   3 -28.922 -37.417  32.325
   30    H    ILE   4           HN       ILE   4 -28.480 -33.794  31.320
   31    HA   ILE   4           HA       ILE   4 -26.037 -32.452  30.610
   32    HB   ILE   4           HB       ILE   4 -28.623 -33.016  29.240
   33   HG12  ILE   4          HG12      ILE   4 -26.735 -34.567  29.062
   34   HG13  ILE   4          HG11      ILE   4 -27.118 -33.856  27.497
   35   HG21  ILE   4          HG21      ILE   4 -26.748 -30.806  28.450
   36   HG22  ILE   4          HG22      ILE   4 -28.491 -30.722  28.705
   37   HG23  ILE   4          HG23      ILE   4 -27.845 -31.588  27.311
   38   HD11  ILE   4          HD11      ILE   4 -24.656 -33.834  28.946
   39   HD12  ILE   4          HD12      ILE   4 -25.199 -32.181  28.658
   40   HD13  ILE   4          HD13      ILE   4 -24.993 -33.290  27.302
   41    HA   PRO   5           HA       PRO   5 -27.068 -28.602  32.631
   42    HB2  PRO   5           HB2      PRO   5 -25.139 -27.507  30.662
   43    HB3  PRO   5           HB1      PRO   5 -25.163 -27.352  32.422
   44    HG2  PRO   5           HG2      PRO   5 -23.416 -28.964  31.229
   45    HG3  PRO   5           HG1      PRO   5 -24.197 -29.435  32.751
   46    HD2  PRO   5           HD2      PRO   5 -24.780 -30.339  29.960
   47    HD3  PRO   5           HD1      PRO   5 -24.769 -31.272  31.470
   48    H    ITZ   6           HN       ITZ   6 -26.493 -28.324  29.127
   49    HA   ITZ   6           HA       ITZ   6 -27.931 -26.057  28.589
   50    HB   ITZ   6           HB       ITZ   6 -28.223 -26.830  26.309
   51   HG12  ITZ   6          HG12      ITZ   6 -27.050 -29.500  26.806
   52   HG11  ITZ   6          HG11      ITZ   6 -28.713 -29.287  27.343
   53   HG23  ITZ   6          HG23      ITZ   6 -25.739 -27.906  26.157
   54   HG21  ITZ   6          HG21      ITZ   6 -25.685 -27.143  27.746
   55   HG22  ITZ   6          HG22      ITZ   6 -26.074 -26.182  26.320
   56   HD11  ITZ   6          HD11      ITZ   6 -28.659 -28.200  24.792
   57   HD12  ITZ   6          HD12      ITZ   6 -29.328 -29.760  25.271
   58   HD13  ITZ   6          HD13      ITZ   6 -27.667 -29.654  24.686
   59    HQ   ITZ   6           HQ       ITZ   6 -32.887 -27.023  28.942
  Start of MODEL   10
    1    H    TBG   1           HN       TBG   1 -30.378 -30.885  29.844
    2    HA   TBG   1           HA       TBG   1 -32.864 -31.862  30.971
    3   HG11  TBG   1          HG11      TBG   1 -30.603 -34.226  29.014
    4   HG12  TBG   1          HG12      TBG   1 -30.510 -32.595  28.350
    5   HG13  TBG   1          HG13      TBG   1 -31.437 -33.838  27.510
    6   HG21  TBG   1          HG21      TBG   1 -33.732 -32.996  27.609
    7   HG22  TBG   1          HG22      TBG   1 -32.812 -31.513  27.864
    8   HG23  TBG   1          HG23      TBG   1 -34.154 -31.914  28.936
    9   HG31  TBG   1          HG31      TBG   1 -33.280 -34.994  29.000
   10   HG32  TBG   1          HG32      TBG   1 -34.008 -34.027  30.283
   11   HG33  TBG   1          HG33      TBG   1 -32.439 -34.791  30.537
   12    HC1  MEA   2           HI1      NHE   2 -33.200 -32.182  33.388
   13    HC2  MEA   2           HI2      NHE   2 -33.114 -33.931  33.591
   14    HC3  MEA   2           HI3      NHE   2 -33.422 -33.247  32.003
   15    HA   MEA   2           HA       NHE   2 -29.575 -33.240  33.588
   16    HB1  MEA   2           HB1      NHE   2 -30.536 -34.586  35.567
   17    HB2  MEA   2           HB2      NHE   2 -32.109 -34.061  34.991
   18    HD1  MEA   2           HD1      NHE   2 -30.145 -33.461  37.529
   19    HE1  MEA   2           HE1      NHE   2 -29.886 -31.354  38.773
   20    HZ   MEA   2           HZ       NHE   2 -30.493 -29.217  37.711
   21    HE2  MEA   2           HE2      NHE   2 -31.361 -29.194  35.406
   22    HD2  MEA   2           HD2      NHE   2 -31.618 -31.305  34.169
   23    HA   PRO   3           HA       PRO   3 -28.006 -34.102  34.105
   24    HB2  PRO   3           HB2      PRO   3 -25.797 -35.489  33.629
   25    HB3  PRO   3           HB1      PRO   3 -26.965 -36.048  34.832
   26    HG2  PRO   3           HG2      PRO   3 -26.459 -37.049  32.073
   27    HG3  PRO   3           HG1      PRO   3 -26.930 -37.946  33.525
   28    HD2  PRO   3           HD2      PRO   3 -28.638 -37.050  31.455
   29    HD3  PRO   3           HD1      PRO   3 -29.128 -37.726  33.020
   30    H    ILE   4           HN       ILE   4 -28.414 -32.474  32.455
   31    HA   ILE   4           HA       ILE   4 -26.192 -32.188  30.631
   32    HB   ILE   4           HB       ILE   4 -29.024 -32.355  29.601
   33   HG12  ILE   4          HG12      ILE   4 -27.803 -34.486  29.730
   34   HG13  ILE   4          HG11      ILE   4 -28.089 -34.013  28.059
   35   HG21  ILE   4          HG21      ILE   4 -26.594 -31.331  28.155
   36   HG22  ILE   4          HG22      ILE   4 -27.978 -30.370  28.675
   37   HG23  ILE   4          HG23      ILE   4 -28.181 -31.612  27.441
   38   HD11  ILE   4          HD11      ILE   4 -25.931 -34.183  27.640
   39   HD12  ILE   4          HD12      ILE   4 -25.642 -34.656  29.314
   40   HD13  ILE   4          HD13      ILE   4 -25.583 -32.954  28.856
   41    HA   PRO   5           HA       PRO   5 -26.823 -28.166  32.611
   42    HB2  PRO   5           HB2      PRO   5 -24.822 -27.521  30.490
   43    HB3  PRO   5           HB1      PRO   5 -24.836 -27.064  32.197
   44    HG2  PRO   5           HG2      PRO   5 -23.244 -29.011  31.342
   45    HG3  PRO   5           HG1      PRO   5 -24.085 -29.149  32.897
   46    HD2  PRO   5           HD2      PRO   5 -24.662 -30.495  30.302
   47    HD3  PRO   5           HD1      PRO   5 -24.871 -31.097  31.959
   48    H    ITZ   6           HN       ITZ   6 -26.644 -28.645  29.104
   49    HA   ITZ   6           HA       ITZ   6 -27.928 -26.200  28.443
   50    HB   ITZ   6           HB       ITZ   6 -26.518 -27.886  26.952
   51   HG12  ITZ   6          HG12      ITZ   6 -28.824 -26.380  25.719
   52   HG11  ITZ   6          HG11      ITZ   6 -27.418 -25.576  26.409
   53   HG23  ITZ   6          HG23      ITZ   6 -28.728 -29.433  27.211
   54   HG21  ITZ   6          HG21      ITZ   6 -27.595 -29.533  25.866
   55   HG22  ITZ   6          HG22      ITZ   6 -29.079 -28.596  25.702
   56   HD11  ITZ   6          HD11      ITZ   6 -27.672 -26.316  23.816
   57   HD12  ITZ   6          HD12      ITZ   6 -26.777 -27.681  24.484
   58   HD13  ITZ   6          HD13      ITZ   6 -26.137 -26.045  24.642
   59    HQ   ITZ   6           HQ       ITZ   6 -32.848 -27.323  28.794