*HEADER    ANTIMICROBIAL PROTEIN                   10-JAN-19   6NM2              
*TITLE     NMR STRUCTURE OF WW291                                                
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: WW291 PEPTIDE;                                             
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630                                                
*KEYWDS    ANTIMICROBIAL PROTEIN                                                 
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    5                                                                     
*AUTHOR    G.WANG,D.ZARENA                                                       
*REVDAT   1   15-JUL-20 6NM2    0                                                
# Restraints file 1: ww291_restraints_12202018comb.tbl
! The NMR restrains for WW291 
! pck2xplr.nawk Table; Input File: W312noe_J252017.sort
!   Date: Wed Jan 25 18:08:05 EST 2017
!   Path: /hbar1/gswang/W312/w312_noesy_4ass_Z.fid
!
!@ BEGIN_XPLR_PCK_SUM
! LBL   File-Name                   All   Intra  Seq.  Short   Long
! A   W312noe_J252017.sort          229    76     81     62      0
!    Total                          229    76     81     62      0

!@ END_XPLR_PCK_SUM
!@ BEGIN_XPLR_NOE_FILE
!
! 1
assign (resid   1 and name   HZ3) (resid   1 and name   HA )  4.0  2.2  2.0 ! A.329  at 1.06e+04
assign (resid   1 and name  HE1 ) (resid   1 and name  HB# )  4.0  2.2  2.0 ! A.230  at 1.19e+04
assign (resid   1 and name   HZ3 ) (resid   1 and name  HB# )  4.0  2.2  2.0 ! A.301  at 1.63e+04
assign (resid   1 and name   HE1 ) (resid   1 and name   HA )  4.0  2.2  2.0 ! A.253  at 8.86e+04
assign (resid   1 and name   HE1 ) (resid   1 and name  HB# )  4.0  2.2  2.0 ! A.216  at 1.10e+05
assign (resid   1 and name  HD1 ) (resid   1 and name   HA )  3.0  1.2  0.8 ! A.254  at 1.34e+05
assign (resid   1 and name  HD1 ) (resid   1 and name  HB1 )  4.0  2.2  1.0 ! A.245  at 1.61e+05
assign (resid   1 and name  HD1 ) (resid   1 and name  HB2 )  4.0  2.2  1.0 ! A.243  at 1.83e+05
assign (resid   1 and name   HA ) (resid   2 and name  HD1 )  4.0  2.2  2.0 ! A.337  at 1.06e+04
assign (resid   1 and name   HE3 ) (resid   2 and name   HA )  4.0  2.2  2.0 ! A.238  at 1.50e+04
assign (resid   1 and name  HB2 ) (resid   3 and name  HD1 )  4.0  2.2  2.0 ! A.440  at 1.03e+04
assign (resid   1 and name  HB1 ) (resid   3 and name  HZ2 )  4.0  2.2  1.0 ! A.302  at 1.18e+04
assign (resid   1 and name  HB2 ) (resid   3 and name  HE1 )  4.0  2.2  1.0 ! A.232  at 1.41e+04
assign (resid   1 and name   HA ) (resid   3 and name  HD1 )  4.0  2.2  1.0 ! A.255  at 1.44e+04
assign (resid   1 and name  HD1 ) (resid   3 and name  HD1 )  4.0  2.2  1.0 ! A.395  at 1.67e+04
assign (resid   1 and name  HB1 ) (resid   3 and name   HN )  4.0  2.2  1.0 ! A.114  at 1.69e+04
assign (resid   1 and name   HE3 ) (resid   3 and name  HE1 )  4.0  2.2  2.0 ! A.570  at 2.00e+04
assign (resid   1 and name  HD1 ) (resid   3 and name  HE1 )  4.0  2.2  2.0 ! A.358  at 2.06e+04
assign (resid   1 and name   HA ) (resid   3 and name  HE1 )  4.0  2.2  2.0 ! A.228  at 2.08e+04
assign (resid   1 and name  HD1 ) (resid   3 and name   HN )  4.0  2.2  1.0 ! A.396  at 2.24e+04
assign (resid   1 and name  HB1 ) (resid   3 and name  HD1 )  4.0  2.2  2.0 ! A.331  at 2.60e+04
assign (resid   1 and name  HB1 ) (resid   3 and name  HE1 )  4.0  2.2  2.0 ! A.231  at 2.75e+04
assign (resid   1 and name  HD1 ) (resid   4 and name HD1# )  4.0  2.2  2.5 ! A.318  at 1.11e+04
assign (resid   1 and name  HB2 ) (resid   4 and name  HB1 )  4.0  2.2  2.0 ! A.280  at 1.16e+04
assign (resid   1 and name  HB1 ) (resid   4 and name  HB1 )  4.0  2.2  2.0 ! A.282  at 1.43e+04
assign (resid   1 and name  HD1 ) (resid   4 and name  HB2 )  4.0  2.2  1.0 ! A.246  at 1.52e+04
assign (resid   1 and name  HB1 ) (resid   4 and name HD1# )  4.0  2.2  2.5 ! A.494  at 1.54e+04
assign (resid   1 and name   HZ3 ) (resid   4 and name  HB1 )  4.0  2.2  1.0 ! A.259  at 1.66e+04
assign (resid   1 and name  HB2 ) (resid   4 and name   HN )  4.0  2.2  1.0 ! A.115  at 1.70e+04
assign (resid   1 and name  HD1 ) (resid   4 and name   HN )  4.0  2.2  1.0 ! A.400  at 2.05e+04
assign (resid   1 and name  HB1 ) (resid   4 and name   HN )  4.0  2.2  1.0 ! A.113  at 2.07e+04
assign (resid   1 and name  HB2 ) (resid   4 and name HD1# )  4.0  2.2  1.5 ! A.279  at 2.23e+04
assign (resid   1 and name  HB2 ) (resid   4 and name  HB2 )  4.0  2.2  1.0 ! A.546  at 2.42e+04
assign (resid   1 and name  HD1 ) (resid   4 and name HD2# )  4.0  2.2  1.5 ! A.247  at 2.48e+04
assign (resid   1 and name  HB1 ) (resid   4 and name HD2# )  3.0  1.2  1.8 ! A.493  at 4.43e+04
assign (resid   1 and name  HB1 ) (resid   4 and name  HB2 )  3.0  1.2  1.3 ! A.281  at 2.93e+04
assign (resid   1 and name   HZ3 ) (resid   4 and name  HB2 )  3.0  1.2  2.0 ! A.258  at 3.76e+04
assign (resid   1 and name  HB2 ) (resid   4 and name HD2# )  3.0  1.2  1.8 ! A.278  at 4.19e+04
assign (resid   1 and name   HE3 ) (resid   4 and name  HB1 )  3.0  1.2  0.8 ! A.219  at 4.76e+04
assign (resid   1 and name   HZ3) (resid   4 and name HD2# )  3.0  1.2  0.8 ! A.260  at 7.01e+04
assign (resid   3 and name  HE3 ) (resid   4 and name HD* )  3.0  1.2  2.8 ! A.261  at 1.00e+05 (RA)
assign (resid   3 and name   HE3 ) (resid   4 and name  HB# )  4.0  2.2  2.0 ! A.220  at 1.14e+05 (RA)

! 2
assign (resid   2 and name  HE1 ) (resid   2 and name  HB2 )  4.0  2.2  2.0 ! A.252  at 1.21e+04
assign (resid   2 and name   HZ3 ) (resid   2 and name  HB# )  4.0  2.2  2.0 ! A.225  at 1.98e+04
assign (resid   2 and name   HE3 ) (resid   2 and name   HA )  3.0  1.2  0.8 ! A.236  at 9.61e+04
assign (resid   2 and name  HD1 ) (resid   2 and name   HA )  3.0  1.2  1.2 ! A.235  at 1.10e+05
assign (resid   2 and name   HE3 ) (resid   2 and name  HB1 )  3.0  1.2  0.8 ! A.320  at 1.66e+05
assign (resid   2 and name  HD1 ) (resid   2 and name  HB2 )  3.0  1.2  0.8 ! A.334  at 1.70e+05
assign (resid   2 and name  HD1 ) (resid   3 and name  HE1 )  4.0  2.2  2.0 ! A.359  at 1.06e+04
assign (resid   2 and name  HH2 ) (resid   3 and name  HB1 )  4.0  2.2  2.0 ! A.296  at 1.16e+04
assign (resid   2 and name  HB2 ) (resid   3 and name  HD1 )  4.0  2.2  2.0 ! A.257  at 1.37e+04
assign (resid   2 and name  HZ2 ) (resid   3 and name  HB1 )  4.0  2.2  1.0 ! A.125  at 1.47e+04
assign (resid   2 and name  HE1 ) (resid   3 and name  HE1 )  4.0  2.2  2.0 ! A.249  at 1.58e+04
assign (resid   2 and name  HH2 ) (resid   3 and name  HB2 )  4.0  2.2  1.0 ! A.291  at 1.69e+04
assign (resid   2 and name   HA ) (resid   3 and name  HD1 )  4.0  2.2  1.0 ! A.237  at 1.84e+04
assign (resid   2 and name   HE1 ) (resid   3 and name  HD1 )  3.0  1.2  1.0 ! A.394  at 1.84e+04
assign (resid   2 and name  HH2 ) (resid   3 and name   HA )  4.0  2.2  1.0 ! A.362  at 1.92e+04
assign (resid   2 and name  HH2 ) (resid   3 and name  HD1 )  4.0  2.2  1.0 ! A.417  at 1.95e+04
assign (resid   2 and name   HE3 ) (resid   3 and name  HB# )  4.0  2.2  2.0 ! A.290  at 2.73e+04
assign (resid   2 and name   HE3 ) (resid   3 and name  HB# )  3.0  1.2  1.8 ! A.310  at 3.08e+04
assign (resid   2 and name  HB# ) (resid   3 and name   HN )  3.0  1.2  1.8 ! A.90   at 3.75e+04
assign (resid   2 and name  HZ2 ) (resid   3 and name  HD1 )  3.0  1.2  0.8 ! A.384  at 3.80e+04
assign (resid   2 and name   HE1) (resid   3 and name   HN )  3.0  1.2  0.8 ! A.393  at 3.82e+04
assign (resid   2 and name  HD1 ) (resid   3 and name   HN )  3.0  1.2  0.8 ! A.385  at 4.30e+04
assign (resid   2 and name   HZ3) (resid   3 and name  HB# )  3.0  1.2  1.8 ! A.343  at 5.74e+04
assign (resid   2 and name   HA ) (resid   3 and name   HN )  3.0  1.2  0.5 ! A.91   at 6.14e+04
assign (resid   2 and name  HD1 ) (resid   3 and name  HD1 )  3.0  1.2  0.3 ! A.386  at 6.58e+04
assign (resid   2 and name  HE1 ) (resid   3 and name  HD1 )  3.0  1.2  0.3 ! A.227  at 7.78e+04
assign (resid   2 and name   HZ3) (resid   3 and name   HA )  3.0  1.2  0.8 ! A.361  at 8.51e+04
assign (resid   2 and name   HZ2) (resid   3 and name  HB# )  3.0  1.2  1.8 ! A.370  at 8.58e+04
assign (resid   2 and name  HD1 ) (resid   4 and name   HN )  4.0  2.2  2.0 ! A.401  at 1.79e+04
assign (resid   2 and name   HE1 ) (resid   4 and name   HN )  4.0  2.2  2.0 ! A.404  at 2.08e+04
assign (resid   2 and name   HA ) (resid   4 and name   HN )  4.0  2.2  1.0 ! A.87   at 2.37e+04
assign (resid   2 and name   HE3 ) (resid   5 and name  HG# )  4.0  2.2  2.5 ! A.313  at 1.33e+04
assign (resid   2 and name   HA ) (resid   5 and name  HB2 )  4.0  2.2  2.0 ! A.275  at 1.34e+04
assign (resid   2 and name   HA ) (resid   5 and name  HG# )  4.0  2.2  1.5 ! A.276  at 1.44e+04
assign (resid   2 and name   HE3 ) (resid   5 and name  HD# )  4.0  2.2  1.5 ! A.330  at 2.01e+04
assign (resid   2 and name   HA ) (resid   5 and name   HN )  3.0  1.2  0.5 ! A.99   at 2.84e+04
assign (resid   2 and name  HH2 ) (resid   6 and name  HE# )  4.0  2.2  1.5 ! A.293  at 1.61e+04
assign (resid   2 and name   HE3) (resid   6 and name  HD# )  3.0  1.2  1.8 ! A.312  at 3.14e+04
assign (resid   2 and name   HE3) (resid   6 and name  HB# )  3.0  1.2  1.8 ! A.311  at 3.18e+04
assign (resid   2 and name   HE3) (resid   6 and name  HE# )  3.0  1.2  1.8 ! A.297  at 3.36e+04
assign (resid   2 and name   HZ3) (resid   6 and name  HE# )  3.0  1.2  1.8 ! A.300  at 3.80e+04
assign (resid   2 and name   HZ3) (resid   6 and name  HD# )  3.0  1.2  1.8 ! A.307  at 4.47e+04
assign (resid   2 and name   HE3) (resid   6 and name  HG# )  3.0  1.2  1.8 ! A.314  at 4.61e+04
assign (resid   2 and name   HZ3) (resid   6 and name  HG# )  3.0  1.2  1.8 ! A.316  at 4.95e+04

! 3
assign (resid   3 and name  HE1 ) (resid   3 and name   HA )  4.0  2.2  2.0 ! A.38   at 1.04e+04
assign (resid   3 and name   HZ3) (resid   3 and name  HB2 )  4.0  2.2  2.0 ! A.292  at 1.12e+04
assign (resid   3 and name  HZ2 ) (resid   3 and name   HN )  4.0  2.2  2.0 ! A.430  at 1.35e+04
assign (resid   3 and name  HE1 ) (resid   3 and name  HB# )  4.0  2.2  3.0 ! A.41   at 1.38e+04
assign (resid   3 and name   HZ3) (resid   3 and name  HB1 )  4.0  2.2  2.0 ! A.366  at 1.89e+04
assign (resid   3 and name  HE1 ) (resid   3 and name   HN )  4.0  2.2  1.0 ! A.15   at 2.43e+04
assign (resid   3 and name   HE1 ) (resid   3 and name   HN )  3.0  1.2  0.8 ! A.420  at 5.11e+04
assign (resid   3 and name   HN ) (resid   3 and name  HB1 )  3.0  1.2  0.8 ! A.96   at 6.89e+04
assign (resid   3 and name   HN ) (resid   3 and name  HB2 )  3.0  1.2  0.8 ! A.110  at 6.94e+04
assign (resid   3 and name  HD1 ) (resid   3 and name   HA )  3.0  1.2  0.8 ! A.241  at 8.99e+04
assign (resid   3 and name  HE3 ) (resid   3 and name   HA )  3.0  1.2  1.3 ! 
assign (resid   3 and name   HE1 ) (resid   3 and name  HB# )  3.0  1.2  1.8 ! A.305  at 1.07e+05
assign (resid   3 and name  HD1 ) (resid   3 and name  HB1 )  3.0  1.2  1.8 ! A.364  at 1.22e+05
assign (resid   3 and name   HN ) (resid   3 and name  HD1 )  4.0  2.2  1.0 ! A.188  at 1.41e+05
assign (resid   3 and name  HD1 ) (resid   3 and name  HB2 )  3.0  1.2  1.8 ! A.244  at 1.47e+05
assign (resid   3 and name  HE1 ) (resid   4 and name  HB2 )  4.0  2.2  2.0 ! A.44   at 1.32e+04
assign (resid   3 and name   HZ3) (resid   4 and name  HB# )  4.0  2.2  2.0 ! A.340  at 1.38e+04
assign (resid   3 and name  HE1 ) (resid   4 and name HD2# )  4.0  2.2  1.5 ! A.45   at 1.43e+04
assign (resid   3 and name  HD1 ) (resid   4 and name  HB2 )  4.0  2.2  1.0 ! A.267  at 1.48e+04
assign (resid   3 and name   HN ) (resid   4 and name  HB2 )  4.0  2.2  1.0 ! A.138  at 1.51e+04
assign (resid   3 and name  HZ2 ) (resid   4 and name  HB2 )  4.0  2.2  2.0 ! A.263  at 1.76e+04
assign (resid   3 and name  HE1 ) (resid   4 and name HD1# )  4.0  2.2  2.5 ! A.46   at 2.10e+04
assign (resid   3 and name  HD1 ) (resid   4 and name HD1# )  4.0  2.2  3.0 ! A.248  at 2.35e+04
assign (resid   3 and name  HZ2 ) (resid   4 and name HD2# )  4.0  2.2  2.5 ! A.262  at 2.43e+04
assign (resid   3 and name  HB2 ) (resid   4 and name   HN )  4.0  2.2  1.0 ! A.116  at 2.51e+04
assign (resid   3 and name  HD1 ) (resid   4 and name   HN )  4.0  2.2  1.0 ! A.187  at 2.65e+04
assign (resid   3 and name  HB1 ) (resid   4 and name   HN )  4.0  2.2  1.0 ! A.112  at 2.71e+04
assign (resid   3 and name  HZ2 ) (resid   4 and name HD1# )  3.0  1.2  1.8 ! A.264  at 3.48e+04
assign (resid   3 and name   HZ3) (resid   4 and name   HA )  3.0  1.2  0.8 ! A.240  at 4.68e+04
assign (resid   3 and name   HZ3) (resid   4 and name HD2# )  3.0  1.2  2.3 ! A.349  at 9.24e+04
assign (resid   3 and name   HN ) (resid   4 and name   HN )  3.0  1.2  0.8 ! A.186  at 1.01e+05
assign (resid   3 and name   HE ) (resid   4 and name HD1# )  3.0  1.2  1.8 ! A.347  at 1.26e+05
assign (resid   3 and name   HZ3) (resid   4 and name HD1# )  3.0  1.2  1.8 ! A.351  at 1.27e+05
assign (resid   3 and name   HE ) (resid   4 and name   HA )  2.5  0.7  0.3 ! A.499  at 1.79e+05
assign (resid   3 and name  HE1 ) (resid   7 and name  HB# )  4.0  2.2  4.0 ! A.43   at 1.09e+04
assign (resid   3 and name   HN ) (resid   5 and name   HN )  4.0  2.2  1.0 ! A.184  at 1.76e+04
assign (resid   3 and name   HA ) (resid   5 and name   HN )  4.0  2.2  1.0 ! A.66   at 2.15e+05
assign (resid   3 and name   HA ) (resid   6 and name  HD# )  4.0  2.2  1.5 ! A.272  at 1.64e+04
assign (resid   3 and name  HD1 ) (resid   6 and name  HE# )  4.0  2.2  3.0 ! A.365  at 1.88e+04
assign (resid   3 and name   HA ) (resid   6 and name  HE# )  4.0  2.2  1.5 ! A.467  at 2.21e+04
assign (resid   3 and name   HE ) (resid   6 and name  HB# )  4.0  2.2  2.0 ! A.306  at 2.34e+04
assign (resid   3 and name   HA ) (resid   6 and name  HB# )  3.0  1.2  1.8 ! A.273  at 5.07e+04
assign (resid   3 and name   HA ) (resid   6 and name   HN )  3.0  1.2  0.8 ! A.56   at 5.62e+04
assign (resid   3 and name   HA ) (resid   6 and name  HG# )  3.0  1.2  1.8 ! A.567  at 7.72e+04

! 4
assign (resid   4 and name   HN ) (resid   4 and name HD1# )  3.0  1.2  2.5 ! A.141  at 5.75e+04
assign (resid   4 and name   HN ) (resid   4 and name HD2# )  3.0  1.2  2.5 ! A.140  at 5.81e+04
assign (resid   4 and name   HN ) (resid   4 and name  HB1 )  3.0  1.2  1.8 ! A.119  at 1.44e+05
assign (resid   4 and name HD2# ) (resid   4 and name  HB1 )  2.5  0.7  1.7 ! A.523  at 2.17e+05
assign (resid   4 and name HD2# ) (resid   4 and name   HA )  2.5  0.7  1.7 ! A.455  at 2.33e+05
assign (resid   4 and name HD1# ) (resid   4 and name  HB1 )  2.5  0.7  1.7 ! A.504  at 2.55e+05
assign (resid   4 and name   HN ) (resid   4 and name  HB2 )  2.5  0.7  1.4 ! A.139  at 3.33e+05
assign (resid   4 and name HD1# ) (resid   4 and name  HB2 )  2.5  0.7  1.7 ! A.509  at 4.80e+05
assign (resid   4 and name HD2# ) (resid   4 and name  HB2 )  2.5  0.7  1.7 ! A.510  at 7.30e+05
assign (resid   4 and name   HN ) (resid   5 and name  HB2 )  4.0  2.2  2.0 ! A.117  at 1.67e+04
assign (resid   4 and name   HN ) (resid   5 and name  HG# )  4.0  2.2  2.0 ! A.118  at 1.97e+04
assign (resid   4 and name HD2# ) (resid   5 and name   HN )  3.0  1.2  2.5 ! A.146  at 4.52e+04
assign (resid   4 and name  HB1 ) (resid   5 and name   HN )  3.0  1.2  1.8 ! A.128  at 1.14e+05
assign (resid   4 and name  HB2 ) (resid   5 and name   HN )  3.0  1.2  0.8 ! A.145  at 1.44e+05
assign (resid   4 and name   HN ) (resid   5 and name   HN )  2.5  0.7  0.4 ! A.182  at 2.00e+05
assign (resid   7 and name   HA ) (resid   6 and name  HD# )  4.0  2.2  1.5 ! A.452  at 1.41e+04
assign (resid   4 and name   HN ) (resid   6 and name   HN )  4.0  2.2  1.0 ! A.175  at 2.27e+04

! 5
assign (resid   5 and name  HD# ) (resid   5 and name   HA )  3.0  1.2  1.8 ! A.287  at 7.72e+04
assign (resid   5 and name  HB2 ) (resid   5 and name  HD# )  3.0  1.2  1.8 ! A.477  at 9.75e+04
assign (resid   5 and name  HB1 ) (resid   5 and name  HD# )  3.0  1.2  1.8 ! A.478  at 1.03e+05
assign (resid   5 and name  HG# ) (resid   5 and name   HA )  2.5  0.7  1.7 ! A.442  at 1.84e+05
assign (resid   5 and name   HN ) (resid   5 and name  HG# )  2.5  0.7  1.9 ! A.127  at 2.24e+05
assign (resid   5 and name   HN ) (resid   5 and name  HB2 )  2.5  0.7  1.4 ! A.126  at 2.33e+05
assign (resid   5 and name   HN ) (resid   5 and name  HB1 )  2.5  0.7  1.4 ! A.124  at 3.21e+05
assign (resid   5 and name  HG# ) (resid   6 and name   HA )  4.0  2.2  2.5 ! A.445  at 1.22e+04
assign (resid   5 and name  HD# ) (resid   6 and name   HN )  4.0  2.2  1.5 ! A.97   at 2.04e+04
assign (resid   6 and name  HB# ) (resid   6 and name   HA )  2.5  0.7  1.3 ! A.448  at 1.89e+05
assign (resid   5 and name  HG# ) (resid   6 and name   HN )  3.0  1.2  2.0 ! A.122  at 5.89e+04
assign (resid   5 and name   HA ) (resid   6 and name   HN )  3.0  1.2  0.8 ! A.55   at 1.50e+05
assign (resid   5 and name   HN ) (resid   6 and name   HN )  2.5  0.7  0.4 ! A.171  at 2.10e+05
assign (resid   6 and name  HB# ) (resid   7 and name   HN )  3.0  1.2  1.8 ! A.134  at 1.24e+05
assign (resid   8 and name  HB# ) (resid   8 and name   HZ3)  4.0  2.2  2.5 ! A.344  at 1.19e+04
assign (resid   5 and name   HA ) (resid   8 and name  HE1 )  4.0  2.2  2.0 ! A.30   at 1.35e+04
assign (resid   7 and name  HG1# ) (resid   8 and name  HD1 )  4.0  2.2  2.5 ! A.218  at 1.68e+04-RA
assign (resid   5 and name   HA ) (resid   8 and name   H2 )  4.0  2.2  1.0 ! A.332  at 1.92e+04
assign (resid   5 and name   HA ) (resid   8 and name  HB1 )  3.0  1.2  0.8 ! A.283  at 3.17e+04
assign (resid   5 and name   HA ) (resid   8 and name  HD1 )  3.0  1.2  0.8 ! A.326  at 4.86e+04

! 6
assign (resid   6 and name   HN ) (resid   6 and name  HE# )  4.0  2.2  2.5 ! A.98   at 1.22e+04
assign (resid   6 and name  HB# ) (resid   6 and name  HE# )  3.0  1.2  1.3 ! A.473  at 2.86e+04
assign (resid   6 and name   HN ) (resid   6 and name  HD# )  3.0  1.2  2.0 ! A.121  at 4.43e+04
assign (resid   6 and name  HD# ) (resid   6 and name   HA )  3.0  1.2  1.8 ! A.446  at 1.10e+05
assign (resid   6 and name  HG# ) (resid   6 and name  HE# )  3.0  1.2  2.3 ! A.475  at 1.30e+05
assign (resid   6 and name  HG# ) (resid   6 and name   HA )  3.0  1.2  1.8 ! A.444  at 1.47e+05
assign (resid   6 and name   HN ) (resid   6 and name  HG# )  2.5  0.7  1.9 ! A.123  at 1.83e+05
assign (resid   6 and name   HN ) (resid   6 and name  HB# )  2.5  0.7  1.9 ! A.120  at 3.61e+05
assign (resid   6 and name  HD# ) (resid   7 and name   HN )  4.0  2.2  2.5 ! A.136  at 1.89e+04
assign (resid   6 and name   HN ) (resid   7 and name HG2# )  4.0  2.2  3.5 ! A.143  at 2.08e+04
assign (resid   6 and name   HN ) (resid   7 and name HG1# )  4.0  2.2  3.0 ! A.142  at 2.43e+04
assign (resid   6 and name   HA ) (resid   7 and name HG2# )  4.0  2.2  2.5 ! A.456  at 2.72e+04
assign (resid   6 and name  HG# ) (resid   7 and name   HN )  3.0  1.2  2.0 ! A.137  at 4.57e+04
assign (resid   6 and name   HA ) (resid   7 and name   HN )  3.0  1.2  0.8 ! A.72   at 1.55e+05
assign (resid   6 and name   HN ) (resid   7 and name   HN )  2.5  0.7  0.4 ! A.173  at 2.05e+05
assign (resid   6 and name  HD# ) (resid   2 and name   HH2)  4.0  2.2  2.5 ! A.304  at 1.25e+04
assign (resid   6 and name  HE# ) (resid   2 and name   HZ2)  4.0  2.2  1.5 ! A.95   at 1.45e+04
assign (resid   6 and name   HN ) (resid   8 and name   H1 )  4.0  2.2  1.0 ! A.174  at 1.78e+04
assign (resid   6 and name  HB# ) (resid   2 and name   HZ3 )  4.0  2.2  2.0 ! A.342  at 1.87e+04
assign (resid   6 and name   HA ) (resid   8 and name   H2 )  4.0  2.2  1.0 ! A.224  at 2.09e+04
assign (resid   6 and name   HA ) (resid   8 and name   H1 )  4.0  2.2  1.0 ! A.239  at 2.88e+04
assign (resid   6 and name   HA ) (resid   8 and name   HN )  4.0  2.2  1.0 ! A.100  at 4.67e+04

! 7
assign (resid   7 and name   HN ) (resid   7 and name HD1# )  3.0  1.2  2.5 ! A.150  at 6.69e+04
assign (resid   7 and name HG11 ) (resid   7 and name   HA )  3.0  1.2  0.8 ! A.451  at 1.13e+05
assign (resid   7 and name   HN ) (resid   7 and name HG1# )  3.0  1.2  1.8 ! A.149  at 1.48e+05
assign (resid   7 and name   HN ) (resid   7 and name HG2# )  3.0  1.2  1.5 ! A.151  at 1.48e+05
assign (resid   7 and name HD1# ) (resid   7 and name   HB )  2.5  0.7  1.7 ! A.500  at 2.06e+05
assign (resid   7 and name HD1# ) (resid   7 and name   HA )  2.5  0.7  2.7 ! A.454  at 2.09e+05
assign (resid   7 and name   HN ) (resid   7 and name   HB )  2.5  0.7  0.9 ! A.133  at 3.22e+05
assign (resid   7 and name HG2# ) (resid   7 and name   HA )  2.5  0.7  1.7 ! A.530  at 5.67e+05
assign (resid   7 and name HD1# ) (resid   8 and name  HE1 )  4.0  2.2  2.5 ! A.50   at 1.15e+04
assign (resid   7 and name HD1# ) (resid   8 and name  HB2 )  4.0  2.2  2.5 ! A.538  at 1.27e+04
assign (resid   7 and name   HB ) (resid   8 and name  HE1 )  4.0  2.2  1.0 ! A.48   at 1.45e+04
assign (resid   7 and name   HB ) (resid   8 and name  HD1 )  4.0  2.2  2.0 ! A.217  at 1.45e+04
assign (resid   7 and name HG2# ) (resid   8 and name  HE1 )  4.0  2.2  1.5 ! A.51   at 2.03e+04
assign (resid   7 and name HG11 ) (resid   8 and name  HH2 )  4.0  2.2  1.0 ! A.308  at 2.14e+04
assign (resid   7 and name   HN ) (resid   8 and name   HA )  4.0  2.2  1.0 ! A.109  at 2.37e+04
assign (resid   7 and name HG2# ) (resid   8 and name  HB# )  3.0  1.2  2.8 ! A.489  at 3.52e+04
assign (resid   7 and name HD1# ) (resid   8 and name   HE3 )  3.0  1.2  1.8 ! A.434  at 3.84e+04
assign (resid   7 and name HG2# ) (resid   8 and name  HZ2 )  3.0  1.2  1.8 ! A.438  at 4.37e+04
assign (resid   7 and name HD1# ) (resid   8 and name  HZ2 )  3.0  1.2  1.8 !
assign (resid   7 and name   HA ) (resid   8 and name   H1 )  3.0  1.2  0.8 ! A.328  at 4.86e+04
assign (resid   7 and name HG2# ) (resid   8 and name   HA )  3.0  1.2  1.8 ! A.288  at 5.46e+04
assign (resid   7 and name HG2# ) (resid   8 and name   HN )  3.0  1.2  2.5 ! A.148  at 1.22e+05
assign ((resid   7 and name HD1# ) or (resid 4 and name HD1*)) (resid   8 and name  HD1 )  3.0  1.2  1.8 ! A.221  at 1.60e+05
assign ((resid   7 and name HG2# ) or (residue 4 and name HD2*)) (resid   8 and name  HD1 )  2.5  0.7  1.7 ! A.222  at 1.72e+05
assign (resid   7 and name   HN ) (resid   8 and name   HN )  2.5  0.7  0.4 ! A.177  at 3.40e+05

! 8
assign (resid   8 and name  HE1 ) (resid   8 and name  HB2 )  4.0  2.2  1.0 ! A.36   at 1.47e+04
assign (resid   8 and name  HE1 ) (resid   8 and name  HB1 )  4.0  2.2  1.0 ! A.37   at 1.53e+04
assign (resid   8 and name   HZ3 ) (resid   8 and name   HA )  4.0  2.2  1.0 ! A.233  at 2.07e+04
assign (resid   8 and name   H2 ) (resid   8 and name  HB#)  3.0  1.2  1.8 ! A.298  at 2.81e+04
assign (resid   8 and name   H2 ) (resid   8 and name   HA )  3.0  1.2  0.8 ! A.207  at 5.90e+04
assign (resid   8 and name   H1 ) (resid   8 and name  HB# )  3.0  1.2  1.8 ! A.338  at 7.44e+04
assign (resid   8 and name   H1 ) (resid   8 and name   HA )  3.0  1.2  0.8 ! A.234  at 9.44e+04
assign (resid   8 and name   HE3 ) (resid   8 and name  HB# )  3.0  1.2  1.8 ! A.335  at 1.22e+05
assign (resid   8 and name  HD1 ) (resid   8 and name   HA )  4.0  2.2  1.0 ! A.208  at 1.40e+05
assign (resid   8 and name   HE3) (resid   8 and name  HB# )  3.0  1.2  1.8 ! A.336  at 1.65e+05
assign (resid   8 and name  HD1 ) (resid   8 and name  HB2 )  2.5  0.7  1.2 ! A.213  at 1.79e+05
assign (resid   8 and name   HN ) (resid   8 and name  HB# )  3.0  1.2  1.8 ! A.70   at 2.09e+05
assign (resid   8 and name   HE3 ) (resid   8 and name   HA )  3.0  1.2  0.8 ! A.223  at 2.25e+05
assign (resid   8 and name  HD1 ) (resid   8 and name  HB1 )  2.5  0.7  1.3 ! A.212  at 2.58e+05

!@ END_XPLR_NOE_FILE


!! phi and phi angles for w312 #Z Jan 12 2017

!! 3
assign (resid 2 and name  C) (resid 3 and name  N)
       (resid 3 and name CA) (resid 3 and name  C)   1 -73.00 30.00  2 !
assign (resid 3 and name  N) (resid 3 and name CA)
       (resid 3 and name  C) (resid 4 and name  N)   1 -25.00 30.00  2 !

!! 4
assign (resid 3 and name  C) (resid 4 and name  N)
       (resid 4 and name CA) (resid 4 and name  C)   1 -68.00 10.00  2 !
assign (resid 4 and name  N) (resid 4 and name CA)
       (resid 4 and name  C) (resid 5 and name  N)   1 -35.00 15.00  2 !

!! 5
assign (resid 4 and name  C) (resid 5 and name  N)
       (resid 5 and name CA) (resid 5 and name  C)   1 -65.00 15.00  2 !
assign (resid 5 and name  N) (resid 5 and name CA)
       (resid 5 and name  C) (resid 6 and name  N)   1 -33.00 15.00  2 !

!! 6      
assign (resid 5 and name  C) (resid 6 and name  N)
       (resid 6 and name CA) (resid 6 and name  C)   1 -70.00 15.00  2 !
assign (resid 6 and name  N) (resid 6 and name CA)
       (resid 6 and name  C) (resid 7 and name  N)   1 -30.00 15.00  2 ! 

!! 7
assign (resid 6 and name  C) (resid 7 and name  N)
       (resid 7 and name CA) (resid 7 and name  C)   1 -73.00 20.00  2 !
assign (resid 7 and name  N) (resid 7 and name CA)
       (resid 7 and name  C) (resid 8 and name  N)   1 -25.00 20.00  2 ! 

!END
  Entry H atom name         Submitted Coord H atom name
  Start of MODEL    1
    1    H1   TRP   1          1HT       TRP   1  -5.010   4.931   0.760
    2    H2   TRP   1          2HT       TRP   1  -5.341   4.050  -0.654
    3    H3   TRP   1          3HT       TRP   1  -3.736   4.268  -0.142
    4    HA   TRP   1           HA       TRP   1  -5.796   2.766   1.369
    5    HB2  TRP   1          2HB       TRP   1  -3.459   1.756  -0.259
    6    HB3  TRP   1          1HB       TRP   1  -4.581   0.757   0.644
    7    HD1  TRP   1           HD       TRP   1  -6.652  -0.040  -0.583
    8    HE1  TRP   1          1HE       TRP   1  -7.780   0.538  -2.837
    9    HE3  TRP   1          3HE       TRP   1  -3.779   3.901  -1.972
   10    HZ2  TRP   1          2HZ       TRP   1  -7.469   2.451  -4.963
   11    HZ3  TRP   1          3HZ       TRP   1  -4.183   5.074  -4.085
   12    HH2  TRP   1           HH       TRP   1  -6.024   4.371  -5.600
   13    H    TRP   2           H        TRP   2  -3.153   1.107   1.594
   14    HA   TRP   2           HA       TRP   2  -1.428   2.633   3.275
   15    HB2  TRP   2          2HB       TRP   2  -1.801   1.412   5.341
   16    HB3  TRP   2          1HB       TRP   2  -3.282   2.222   4.858
   17    HD1  TRP   2           HD       TRP   2  -5.283   0.751   4.023
   18    HE1  TRP   2          1HE       TRP   2  -5.721  -1.795   4.132
   19    HE3  TRP   2          3HE       TRP   2  -0.653  -0.803   5.214
   20    HZ2  TRP   2          2HZ       TRP   2  -4.242  -4.207   4.689
   21    HZ3  TRP   2          3HZ       TRP   2  -0.148  -3.234   5.553
   22    HH2  TRP   2           HH       TRP   2  -1.941  -4.925   5.277
   23    H    TRP   3           H        TRP   3  -2.596  -0.498   2.187
   24    HA   TRP   3           HA       TRP   3  -0.053  -1.776   2.577
   25    HB2  TRP   3          2HB       TRP   3  -1.047  -3.600   1.187
   26    HB3  TRP   3          1HB       TRP   3  -2.002  -3.187   2.603
   27    HD1  TRP   3           HD       TRP   3  -4.060  -1.528   2.208
   28    HE1  TRP   3          1HE       TRP   3  -5.597  -1.299   0.154
   29    HE3  TRP   3          3HE       TRP   3  -1.130  -3.729  -1.233
   30    HZ2  TRP   3          2HZ       TRP   3  -5.558  -1.977  -2.652
   31    HZ3  TRP   3          3HZ       TRP   3  -1.840  -3.907  -3.579
   32    HH2  TRP   3           HH       TRP   3  -4.054  -3.057  -4.314
   33    H    LEU   4           H        LEU   4  -1.590   0.150   0.171
   34    HA   LEU   4           HA       LEU   4  -0.056  -0.692  -2.082
   35    HB2  LEU   4          2HB       LEU   4  -2.168   1.108  -1.599
   36    HB3  LEU   4          1HB       LEU   4  -0.857   2.108  -2.189
   37    HG   LEU   4           HG       LEU   4  -0.815   1.044  -4.280
   38   HD11  LEU   4          1HD1      LEU   4  -2.328  -1.152  -4.482
   39   HD12  LEU   4          2HD1      LEU   4  -1.927  -1.273  -2.775
   40   HD13  LEU   4          3HD1      LEU   4  -0.641  -1.249  -3.980
   41   HD21  LEU   4          1HD2      LEU   4  -3.194   0.855  -4.980
   42   HD22  LEU   4          2HD2      LEU   4  -2.896   2.284  -3.991
   43   HD23  LEU   4          3HD2      LEU   4  -3.669   0.865  -3.283
   44    H    ARG   5           H        ARG   5   0.236   2.115   0.116
   45    HA   ARG   5           HA       ARG   5   2.677   2.978  -1.087
   46    HB2  ARG   5          2HB       ARG   5   2.828   4.226   1.224
   47    HB3  ARG   5          1HB       ARG   5   1.629   4.710   0.030
   48    HG2  ARG   5          2HG       ARG   5  -0.126   3.920   1.271
   49    HG3  ARG   5          1HG       ARG   5   0.788   2.539   1.869
   50    HD2  ARG   5          2HD       ARG   5   0.470   3.880   3.775
   51    HD3  ARG   5          1HD       ARG   5   2.115   4.245   3.267
   52    HE   ARG   5           HE       ARG   5   0.611   6.134   1.987
   53   HH11  ARG   5          1HH1      ARG   5   0.121   8.154   2.905
   54   HH12  ARG   5          2HH1      ARG   5   0.097   8.334   4.627
   55   HH21  ARG   5          1HH2      ARG   5   0.926   5.025   5.250
   56   HH22  ARG   5          2HH2      ARG   5   0.552   6.562   5.955
   57    H    LYS   6           H        LYS   6   1.905   0.756   1.535
   58    HA   LYS   6           HA       LYS   6   4.579   0.635   2.549
   59    HB2  LYS   6          2HB       LYS   6   3.745  -0.790   4.113
   60    HB3  LYS   6          1HB       LYS   6   2.186  -0.245   3.505
   61    HG2  LYS   6          2HG       LYS   6   2.110  -2.164   1.959
   62    HG3  LYS   6          1HG       LYS   6   3.678  -2.709   2.549
   63    HD2  LYS   6          2HD       LYS   6   2.841  -3.250   4.669
   64    HD3  LYS   6          1HD       LYS   6   1.405  -2.252   4.455
   65    HE2  LYS   6          2HE       LYS   6   0.273  -3.904   3.351
   66    HE3  LYS   6          1HE       LYS   6   1.706  -4.426   2.467
   67    HZ1  LYS   6          1HZ       LYS   6   0.627  -5.855   4.398
   68    HZ2  LYS   6          2HZ       LYS   6   1.680  -4.911   5.339
   69    HZ3  LYS   6          3HZ       LYS   6   2.293  -5.871   4.078
   70    H    ILE   7           H        ILE   7   2.697  -1.293   0.246
   71    HA   ILE   7           HA       ILE   7   4.819  -3.129  -0.301
   72    HB   ILE   7           HB       ILE   7   2.185  -3.240  -0.827
   73   HG12  ILE   7          2HG1      ILE   7   3.652  -5.149  -1.141
   74   HG13  ILE   7          1HG1      ILE   7   2.685  -4.941  -2.601
   75   HG21  ILE   7          1HG2      ILE   7   2.537  -1.272  -2.440
   76   HG22  ILE   7          2HG2      ILE   7   1.576  -2.634  -3.005
   77   HG23  ILE   7          3HG2      ILE   7   3.253  -2.463  -3.511
   78   HD11  ILE   7          1HD1      ILE   7   4.661  -3.549  -3.496
   79   HD12  ILE   7          2HD1      ILE   7   4.869  -5.296  -3.413
   80   HD13  ILE   7          3HD1      ILE   7   5.592  -4.266  -2.180
   81    H    TRP   8           H        TRP   8   3.890   0.031  -1.276
   82    HA   TRP   8           HA       TRP   8   6.018   0.125  -3.315
   83    HB2  TRP   8          2HB       TRP   8   3.638   1.964  -2.984
   84    HB3  TRP   8          1HB       TRP   8   4.804   2.007  -4.294
   85    HD1  TRP   8           HD       TRP   8   1.495   0.993  -3.885
   86    HE1  TRP   8          1HE       TRP   8   0.845  -1.062  -5.250
   87    HE3  TRP   8          3HE       TRP   8   6.137  -0.757  -5.150
   88    HZ2  TRP   8          2HZ       TRP   8   2.093  -3.174  -6.713
   89    HZ3  TRP   8          3HZ       TRP   8   6.362  -2.794  -6.533
   90    HH2  TRP   8           HH       TRP   8   4.345  -4.004  -7.314
   91    HN1  NH2   9          1H        NH2   8   6.397   0.404  -0.370
   92    HN2  NH2   9          2H        NH2   8   7.039   1.962  -0.146
  Start of MODEL    2
    1    H1   TRP   1          1HT       TRP   1  -5.431   4.701   0.751
    2    H2   TRP   1          2HT       TRP   1  -5.654   3.727  -0.623
    3    H3   TRP   1          3HT       TRP   1  -4.087   4.164  -0.134
    4    HA   TRP   1           HA       TRP   1  -5.915   2.541   1.534
    5    HB2  TRP   1          2HB       TRP   1  -3.622   1.566  -0.175
    6    HB3  TRP   1          1HB       TRP   1  -4.717   0.576   0.772
    7    HD1  TRP   1           HD       TRP   1  -6.720  -0.347  -0.448
    8    HE1  TRP   1          1HE       TRP   1  -7.918   0.171  -2.683
    9    HE3  TRP   1          3HE       TRP   1  -4.087   3.743  -1.884
   10    HZ2  TRP   1          2HZ       TRP   1  -7.746   2.101  -4.811
   11    HZ3  TRP   1          3HZ       TRP   1  -4.591   4.897  -3.984
   12    HH2  TRP   1           HH       TRP   1  -6.418   4.096  -5.469
   13    H    TRP   2           H        TRP   2  -3.250   1.013   1.693
   14    HA   TRP   2           HA       TRP   2  -1.474   2.745   3.133
   15    HB2  TRP   2          2HB       TRP   2  -1.605   1.610   5.262
   16    HB3  TRP   2          1HB       TRP   2  -3.190   2.244   4.854
   17    HD1  TRP   2           HD       TRP   2  -5.096   0.565   4.359
   18    HE1  TRP   2          1HE       TRP   2  -5.265  -2.011   4.547
   19    HE3  TRP   2          3HE       TRP   2  -0.220  -0.507   4.949
   20    HZ2  TRP   2          2HZ       TRP   2  -3.487  -4.254   4.928
   21    HZ3  TRP   2          3HZ       TRP   2   0.566  -2.857   5.234
   22    HH2  TRP   2           HH       TRP   2  -1.071  -4.725   5.209
   23    H    TRP   3           H        TRP   3  -2.504  -0.524   2.304
   24    HA   TRP   3           HA       TRP   3   0.073  -1.687   2.597
   25    HB2  TRP   3          2HB       TRP   3  -0.867  -3.527   1.168
   26    HB3  TRP   3          1HB       TRP   3  -1.767  -3.194   2.635
   27    HD1  TRP   3           HD       TRP   3  -3.914  -1.584   2.361
   28    HE1  TRP   3          1HE       TRP   3  -5.568  -1.439   0.387
   29    HE3  TRP   3          3HE       TRP   3  -1.083  -3.710  -1.202
   30    HZ2  TRP   3          2HZ       TRP   3  -5.646  -2.156  -2.412
   31    HZ3  TRP   3          3HZ       TRP   3  -1.906  -3.957  -3.509
   32    HH2  TRP   3           HH       TRP   3  -4.190  -3.204  -4.136
   33    H    LEU   4           H        LEU   4  -1.641  -0.012   0.086
   34    HA   LEU   4           HA       LEU   4  -0.062  -0.721  -2.137
   35    HB2  LEU   4          2HB       LEU   4  -2.147   1.136  -1.542
   36    HB3  LEU   4          1HB       LEU   4  -0.843   2.063  -2.261
   37    HG   LEU   4           HG       LEU   4  -1.006   0.952  -4.312
   38   HD11  LEU   4          1HD1      LEU   4  -2.500  -1.243  -4.359
   39   HD12  LEU   4          2HD1      LEU   4  -2.034  -1.313  -2.666
   40   HD13  LEU   4          3HD1      LEU   4  -0.794  -1.332  -3.920
   41   HD21  LEU   4          1HD2      LEU   4  -3.409   0.787  -4.841
   42   HD22  LEU   4          2HD2      LEU   4  -3.075   2.199  -3.840
   43   HD23  LEU   4          3HD2      LEU   4  -3.782   0.754  -3.118
   44    H    ARG   5           H        ARG   5   0.196   1.999   0.127
   45    HA   ARG   5           HA       ARG   5   2.623   2.971  -0.999
   46    HB2  ARG   5          2HB       ARG   5   2.332   4.678   0.473
   47    HB3  ARG   5          1HB       ARG   5   0.746   3.966   0.711
   48    HG2  ARG   5          2HG       ARG   5   1.833   2.541   2.552
   49    HG3  ARG   5          1HG       ARG   5   3.208   3.638   2.436
   50    HD2  ARG   5          2HD       ARG   5   0.920   5.289   2.563
   51    HD3  ARG   5          1HD       ARG   5   0.669   4.030   3.770
   52    HE   ARG   5           HE       ARG   5   3.248   4.833   4.192
   53   HH11  ARG   5          1HH1      ARG   5   3.799   6.513   5.620
   54   HH12  ARG   5          2HH1      ARG   5   2.640   7.750   5.980
   55   HH21  ARG   5          1HH2      ARG   5   0.176   6.406   3.945
   56   HH22  ARG   5          2HH2      ARG   5   0.590   7.688   5.033
   57    H    LYS   6           H        LYS   6   1.874   0.710   1.622
   58    HA   LYS   6           HA       LYS   6   4.559   0.569   2.593
   59    HB2  LYS   6          2HB       LYS   6   3.251  -0.255   4.255
   60    HB3  LYS   6          1HB       LYS   6   1.999  -0.777   3.144
   61    HG2  LYS   6          2HG       LYS   6   4.615  -2.271   3.274
   62    HG3  LYS   6          1HG       LYS   6   3.368  -2.569   4.480
   63    HD2  LYS   6          2HD       LYS   6   1.928  -2.645   2.110
   64    HD3  LYS   6          1HD       LYS   6   3.456  -3.376   1.649
   65    HE2  LYS   6          2HE       LYS   6   1.955  -4.229   4.130
   66    HE3  LYS   6          1HE       LYS   6   1.664  -4.962   2.556
   67    HZ1  LYS   6          1HZ       LYS   6   3.873  -5.310   4.352
   68    HZ2  LYS   6          2HZ       LYS   6   4.368  -4.964   2.763
   69    HZ3  LYS   6          3HZ       LYS   6   3.356  -6.293   3.070
   70    H    ILE   7           H        ILE   7   2.700  -1.142   0.149
   71    HA   ILE   7           HA       ILE   7   4.816  -3.055  -0.376
   72    HB   ILE   7           HB       ILE   7   2.175  -3.195  -0.859
   73   HG12  ILE   7          2HG1      ILE   7   3.657  -5.083  -1.213
   74   HG13  ILE   7          1HG1      ILE   7   2.668  -4.873  -2.659
   75   HG21  ILE   7          1HG2      ILE   7   2.488  -1.208  -2.463
   76   HG22  ILE   7          2HG2      ILE   7   1.519  -2.568  -3.014
   77   HG23  ILE   7          3HG2      ILE   7   3.184  -2.390  -3.557
   78   HD11  ILE   7          1HD1      ILE   7   5.572  -4.163  -2.270
   79   HD12  ILE   7          2HD1      ILE   7   4.613  -3.454  -3.570
   80   HD13  ILE   7          3HD1      ILE   7   4.848  -5.197  -3.499
   81    H    TRP   8           H        TRP   8   3.849   0.108  -1.295
   82    HA   TRP   8           HA       TRP   8   5.942   0.247  -3.374
   83    HB2  TRP   8          2HB       TRP   8   3.543   2.050  -2.975
   84    HB3  TRP   8          1HB       TRP   8   4.685   2.128  -4.305
   85    HD1  TRP   8           HD       TRP   8   1.397   1.068  -3.861
   86    HE1  TRP   8          1HE       TRP   8   0.752  -0.980  -5.238
   87    HE3  TRP   8          3HE       TRP   8   6.041  -0.615  -5.212
   88    HZ2  TRP   8          2HZ       TRP   8   2.003  -3.063  -6.741
   89    HZ3  TRP   8          3HZ       TRP   8   6.268  -2.634  -6.619
   90    HH2  TRP   8           HH       TRP   8   4.255  -3.860  -7.384
   91    HN1  NH2   9          1H        NH2   8   6.378   0.488  -0.438
   92    HN2  NH2   9          2H        NH2   8   7.000   2.053  -0.201
  Start of MODEL    3
    1    H1   TRP   1          1HT       TRP   1  -5.504   3.820  -0.759
    2    H2   TRP   1          2HT       TRP   1  -3.927   4.158  -0.224
    3    H3   TRP   1          3HT       TRP   1  -5.265   4.773   0.624
    4    HA   TRP   1           HA       TRP   1  -5.911   2.618   1.347
    5    HB2  TRP   1          2HB       TRP   1  -3.562   1.606  -0.266
    6    HB3  TRP   1          1HB       TRP   1  -4.674   0.621   0.664
    7    HD1  TRP   1           HD       TRP   1  -6.702  -0.271  -0.568
    8    HE1  TRP   1          1HE       TRP   1  -7.838   0.233  -2.836
    9    HE3  TRP   1          3HE       TRP   1  -3.945   3.735  -2.022
   10    HZ2  TRP   1          2HZ       TRP   1  -7.580   2.117  -4.994
   11    HZ3  TRP   1          3HZ       TRP   1  -4.381   4.857  -4.156
   12    HH2  TRP   1           HH       TRP   1  -6.194   4.069  -5.662
   13    H    TRP   2           H        TRP   2  -3.189   1.074   1.572
   14    HA   TRP   2           HA       TRP   2  -1.506   2.736   3.166
   15    HB2  TRP   2          2HB       TRP   2  -1.799   1.594   5.285
   16    HB3  TRP   2          1HB       TRP   2  -3.326   2.304   4.785
   17    HD1  TRP   2           HD       TRP   2  -5.267   0.706   4.105
   18    HE1  TRP   2          1HE       TRP   2  -5.564  -1.857   4.296
   19    HE3  TRP   2          3HE       TRP   2  -0.518  -0.564   5.142
   20    HZ2  TRP   2          2HZ       TRP   2  -3.934  -4.170   4.854
   21    HZ3  TRP   2          3HZ       TRP   2   0.133  -2.950   5.521
   22    HH2  TRP   2           HH       TRP   2  -1.573  -4.745   5.364
   23    H    TRP   3           H        TRP   3  -2.556  -0.488   2.224
   24    HA   TRP   3           HA       TRP   3   0.010  -1.679   2.660
   25    HB2  TRP   3          2HB       TRP   3  -0.908  -3.539   1.244
   26    HB3  TRP   3          1HB       TRP   3  -1.859  -3.165   2.671
   27    HD1  TRP   3           HD       TRP   3  -3.980  -1.545   2.281
   28    HE1  TRP   3          1HE       TRP   3  -5.558  -1.423   0.249
   29    HE3  TRP   3          3HE       TRP   3  -1.037  -3.751  -1.139
   30    HZ2  TRP   3          2HZ       TRP   3  -5.541  -2.182  -2.538
   31    HZ3  TRP   3          3HZ       TRP   3  -1.778  -4.025  -3.470
   32    HH2  TRP   3           HH       TRP   3  -4.031  -3.266  -4.192
   33    H    LEU   4           H        LEU   4  -1.646  -0.043   0.070
   34    HA   LEU   4           HA       LEU   4   0.002  -0.756  -2.099
   35    HB2  LEU   4          2HB       LEU   4  -2.115   1.078  -1.596
   36    HB3  LEU   4          1HB       LEU   4  -0.800   2.020  -2.270
   37    HG   LEU   4           HG       LEU   4  -0.866   0.891  -4.320
   38   HD11  LEU   4          1HD1      LEU   4  -2.354  -1.312  -4.402
   39   HD12  LEU   4          2HD1      LEU   4  -1.931  -1.370  -2.696
   40   HD13  LEU   4          3HD1      LEU   4  -0.661  -1.388  -3.919
   41   HD21  LEU   4          1HD2      LEU   4  -2.948   2.132  -3.969
   42   HD22  LEU   4          2HD2      LEU   4  -3.682   0.712  -3.222
   43   HD23  LEU   4          3HD2      LEU   4  -3.255   0.688  -4.933
   44    H    ARG   5           H        ARG   5   0.206   2.038   0.114
   45    HA   ARG   5           HA       ARG   5   2.652   2.981  -0.999
   46    HB2  ARG   5          2HB       ARG   5   2.649   3.900   1.630
   47    HB3  ARG   5          1HB       ARG   5   1.945   4.737   0.251
   48    HG2  ARG   5          2HG       ARG   5  -0.223   4.115   0.802
   49    HG3  ARG   5          1HG       ARG   5   0.292   2.645   1.622
   50    HD2  ARG   5          2HD       ARG   5   0.631   3.707   3.615
   51    HD3  ARG   5          1HD       ARG   5   1.220   5.181   2.849
   52    HE   ARG   5           HE       ARG   5  -1.440   5.153   2.228
   53   HH11  ARG   5          1HH1      ARG   5  -3.024   6.110   3.546
   54   HH12  ARG   5          2HH1      ARG   5  -2.731   6.301   5.243
   55   HH21  ARG   5          1HH2      ARG   5   0.425   4.869   5.129
   56   HH22  ARG   5          2HH2      ARG   5  -0.779   5.599   6.139
   57    H    LYS   6           H        LYS   6   1.881   0.736   1.633
   58    HA   LYS   6           HA       LYS   6   4.546   0.539   2.603
   59    HB2  LYS   6          2HB       LYS   6   3.618  -0.785   4.178
   60    HB3  LYS   6          1HB       LYS   6   2.072  -0.435   3.416
   61    HG2  LYS   6          2HG       LYS   6   2.089  -2.456   2.186
   62    HG3  LYS   6          1HG       LYS   6   3.812  -2.706   2.442
   63    HD2  LYS   6          2HD       LYS   6   3.519  -3.619   4.509
   64    HD3  LYS   6          1HD       LYS   6   2.204  -2.520   4.917
   65    HE2  LYS   6          2HE       LYS   6   0.683  -3.820   3.442
   66    HE3  LYS   6          1HE       LYS   6   2.001  -4.937   3.093
   67    HZ1  LYS   6          1HZ       LYS   6   1.927  -5.828   5.165
   68    HZ2  LYS   6          2HZ       LYS   6   0.294  -5.384   5.020
   69    HZ3  LYS   6          3HZ       LYS   6   1.369  -4.403   5.897
   70    H    ILE   7           H        ILE   7   2.697  -1.229   0.168
   71    HA   ILE   7           HA       ILE   7   4.845  -3.053  -0.425
   72    HB   ILE   7           HB       ILE   7   2.202  -3.202  -0.894
   73   HG12  ILE   7          2HG1      ILE   7   3.699  -5.079  -1.272
   74   HG13  ILE   7          1HG1      ILE   7   2.696  -4.864  -2.708
   75   HG21  ILE   7          1HG2      ILE   7   1.538  -2.566  -3.045
   76   HG22  ILE   7          2HG2      ILE   7   3.200  -2.365  -3.586
   77   HG23  ILE   7          3HG2      ILE   7   2.492  -1.202  -2.480
   78   HD11  ILE   7          1HD1      ILE   7   4.626  -3.421  -3.621
   79   HD12  ILE   7          2HD1      ILE   7   4.871  -5.165  -3.571
   80   HD13  ILE   7          3HD1      ILE   7   5.599  -4.140  -2.337
   81    H    TRP   8           H        TRP   8   3.850   0.117  -1.300
   82    HA   TRP   8           HA       TRP   8   5.936   0.281  -3.385
   83    HB2  TRP   8          2HB       TRP   8   3.539   2.081  -2.966
   84    HB3  TRP   8          1HB       TRP   8   4.676   2.162  -4.302
   85    HD1  TRP   8           HD       TRP   8   1.390   1.092  -3.821
   86    HE1  TRP   8          1HE       TRP   8   0.733  -0.943  -5.219
   87    HE3  TRP   8          3HE       TRP   8   6.020  -0.556  -5.252
   88    HZ2  TRP   8          2HZ       TRP   8   1.975  -3.003  -6.759
   89    HZ3  TRP   8          3HZ       TRP   8   6.239  -2.558  -6.685
   90    HH2  TRP   8           HH       TRP   8   4.222  -3.783  -7.439
   91    HN1  NH2   9          1H        NH2   8   6.414   0.489  -0.466
   92    HN2  NH2   9          2H        NH2   8   7.023   2.056  -0.213
  Start of MODEL    4
    1    H1   TRP   1          1HT       TRP   1  -4.917   4.960   0.780
    2    H2   TRP   1          2HT       TRP   1  -5.373   4.108  -0.617
    3    H3   TRP   1          3HT       TRP   1  -3.732   4.249  -0.202
    4    HA   TRP   1           HA       TRP   1  -5.787   2.789   1.358
    5    HB2  TRP   1          2HB       TRP   1  -3.449   1.780  -0.269
    6    HB3  TRP   1          1HB       TRP   1  -4.570   0.778   0.633
    7    HD1  TRP   1           HD       TRP   1  -6.657  -0.002  -0.585
    8    HE1  TRP   1          1HE       TRP   1  -7.780   0.579  -2.842
    9    HE3  TRP   1          3HE       TRP   1  -3.752   3.911  -1.983
   10    HZ2  TRP   1          2HZ       TRP   1  -7.452   2.485  -4.973
   11    HZ3  TRP   1          3HZ       TRP   1  -4.146   5.083  -4.098
   12    HH2  TRP   1           HH       TRP   1  -5.992   4.393  -5.612
   13    H    TRP   2           H        TRP   2  -3.140   1.128   1.578
   14    HA   TRP   2           HA       TRP   2  -1.420   2.639   3.274
   15    HB2  TRP   2          2HB       TRP   2  -1.799   1.404   5.333
   16    HB3  TRP   2          1HB       TRP   2  -3.272   2.233   4.856
   17    HD1  TRP   2           HD       TRP   2  -5.292   0.789   4.032
   18    HE1  TRP   2          1HE       TRP   2  -5.759  -1.753   4.128
   19    HE3  TRP   2          3HE       TRP   2  -0.670  -0.825   5.167
   20    HZ2  TRP   2          2HZ       TRP   2  -4.303  -4.186   4.656
   21    HZ3  TRP   2          3HZ       TRP   2  -0.185  -3.261   5.481
   22    HH2  TRP   2           HH       TRP   2  -2.000  -4.934   5.215
   23    H    TRP   3           H        TRP   3  -2.602  -0.495   2.206
   24    HA   TRP   3           HA       TRP   3  -0.070  -1.786   2.588
   25    HB2  TRP   3          2HB       TRP   3  -1.070  -3.597   1.190
   26    HB3  TRP   3          1HB       TRP   3  -2.032  -3.180   2.599
   27    HD1  TRP   3           HD       TRP   3  -4.076  -1.501   2.190
   28    HE1  TRP   3          1HE       TRP   3  -5.595  -1.264   0.127
   29    HE3  TRP   3          3HE       TRP   3  -1.142  -3.730  -1.232
   30    HZ2  TRP   3          2HZ       TRP   3  -5.548  -1.944  -2.676
   31    HZ3  TRP   3          3HZ       TRP   3  -1.841  -3.907  -3.581
   32    HH2  TRP   3           HH       TRP   3  -4.045  -3.039  -4.328
   33    H    LEU   4           H        LEU   4  -1.595   0.141   0.172
   34    HA   LEU   4           HA       LEU   4  -0.055  -0.698  -2.076
   35    HB2  LEU   4          2HB       LEU   4  -2.174   1.089  -1.603
   36    HB3  LEU   4          1HB       LEU   4  -0.866   2.104  -2.172
   37    HG   LEU   4           HG       LEU   4  -0.791   1.050  -4.270
   38   HD11  LEU   4          1HD1      LEU   4  -1.912  -1.276  -2.789
   39   HD12  LEU   4          2HD1      LEU   4  -0.626  -1.243  -3.993
   40   HD13  LEU   4          3HD1      LEU   4  -2.311  -1.143  -4.496
   41   HD21  LEU   4          1HD2      LEU   4  -3.657   0.876  -3.303
   42   HD22  LEU   4          2HD2      LEU   4  -3.166   0.864  -4.996
   43   HD23  LEU   4          3HD2      LEU   4  -2.872   2.292  -4.004
   44    H    ARG   5           H        ARG   5   0.235   2.109   0.120
   45    HA   ARG   5           HA       ARG   5   2.678   2.966  -1.087
   46    HB2  ARG   5          2HB       ARG   5   2.826   4.245   1.200
   47    HB3  ARG   5          1HB       ARG   5   1.619   4.708   0.008
   48    HG2  ARG   5          2HG       ARG   5  -0.113   4.013   1.312
   49    HG3  ARG   5          1HG       ARG   5   0.739   2.560   1.828
   50    HD2  ARG   5          2HD       ARG   5   0.488   3.892   3.782
   51    HD3  ARG   5          1HD       ARG   5   2.172   4.063   3.295
   52    HE   ARG   5           HE       ARG   5   0.920   6.154   2.056
   53   HH11  ARG   5          1HH1      ARG   5   0.673   8.196   3.021
   54   HH12  ARG   5          2HH1      ARG   5   0.663   8.337   4.747
   55   HH21  ARG   5          1HH2      ARG   5   1.084   4.938   5.292
   56   HH22  ARG   5          2HH2      ARG   5   0.897   6.492   6.033
   57    H    LYS   6           H        LYS   6   1.895   0.726   1.504
   58    HA   LYS   6           HA       LYS   6   4.565   0.630   2.549
   59    HB2  LYS   6          2HB       LYS   6   3.701  -0.745   4.132
   60    HB3  LYS   6          1HB       LYS   6   2.143  -0.286   3.459
   61    HG2  LYS   6          2HG       LYS   6   2.092  -2.259   2.060
   62    HG3  LYS   6          1HG       LYS   6   3.744  -2.678   2.509
   63    HD2  LYS   6          2HD       LYS   6   3.152  -3.295   4.677
   64    HD3  LYS   6          1HD       LYS   6   1.661  -2.355   4.641
   65    HE2  LYS   6          2HE       LYS   6   1.257  -4.815   4.469
   66    HE3  LYS   6          1HE       LYS   6   0.660  -3.927   3.068
   67    HZ1  LYS   6          1HZ       LYS   6   2.992  -4.428   2.125
   68    HZ2  LYS   6          2HZ       LYS   6   1.814  -5.652   2.109
   69    HZ3  LYS   6          3HZ       LYS   6   3.031  -5.655   3.295
   70    H    ILE   7           H        ILE   7   2.705  -1.290   0.224
   71    HA   ILE   7           HA       ILE   7   4.834  -3.123  -0.314
   72    HB   ILE   7           HB       ILE   7   2.197  -3.225  -0.860
   73   HG12  ILE   7          2HG1      ILE   7   3.657  -5.143  -1.148
   74   HG13  ILE   7          1HG1      ILE   7   2.715  -4.934  -2.625
   75   HG21  ILE   7          1HG2      ILE   7   3.293  -2.477  -3.541
   76   HG22  ILE   7          2HG2      ILE   7   2.593  -1.264  -2.482
   77   HG23  ILE   7          3HG2      ILE   7   1.612  -2.615  -3.039
   78   HD11  ILE   7          1HD1      ILE   7   4.920  -5.311  -3.386
   79   HD12  ILE   7          2HD1      ILE   7   5.617  -4.257  -2.159
   80   HD13  ILE   7          3HD1      ILE   7   4.705  -3.566  -3.502
   81    H    TRP   8           H        TRP   8   3.929   0.045  -1.254
   82    HA   TRP   8           HA       TRP   8   6.067   0.151  -3.282
   83    HB2  TRP   8          2HB       TRP   8   3.670   1.971  -2.970
   84    HB3  TRP   8          1HB       TRP   8   4.852   2.033  -4.266
   85    HD1  TRP   8           HD       TRP   8   1.546   1.003  -3.918
   86    HE1  TRP   8          1HE       TRP   8   0.928  -1.051  -5.302
   87    HE3  TRP   8          3HE       TRP   8   6.216  -0.734  -5.100
   88    HZ2  TRP   8          2HZ       TRP   8   2.209  -3.158  -6.743
   89    HZ3  TRP   8          3HZ       TRP   8   6.473  -2.768  -6.481
   90    HH2  TRP   8           HH       TRP   8   4.474  -3.980  -7.303
   91    HN1  NH2   9          1H        NH2   8   6.388   0.426  -0.323
   92    HN2  NH2   9          2H        NH2   8   7.028   1.985  -0.088
  Start of MODEL    5
    1    H1   TRP   1          1HT       TRP   1  -4.891   5.022   0.572
    2    H2   TRP   1          2HT       TRP   1  -5.140   4.089  -0.826
    3    H3   TRP   1          3HT       TRP   1  -3.565   4.352  -0.246
    4    HA   TRP   1           HA       TRP   1  -5.648   2.912   1.286
    5    HB2  TRP   1          2HB       TRP   1  -3.379   1.780  -0.355
    6    HB3  TRP   1          1HB       TRP   1  -4.523   0.846   0.588
    7    HD1  TRP   1           HD       TRP   1  -6.642   0.097  -0.587
    8    HE1  TRP   1          1HE       TRP   1  -7.780   0.661  -2.841
    9    HE3  TRP   1          3HE       TRP   1  -3.643   3.891  -2.115
   10    HZ2  TRP   1          2HZ       TRP   1  -7.427   2.507  -5.019
   11    HZ3  TRP   1          3HZ       TRP   1  -4.033   5.025  -4.251
   12    HH2  TRP   1           HH       TRP   1  -5.920   4.355  -5.723
   13    H    TRP   2           H        TRP   2  -3.233   1.096   1.683
   14    HA   TRP   2           HA       TRP   2  -1.388   2.660   3.258
   15    HB2  TRP   2          2HB       TRP   2  -1.755   1.429   5.321
   16    HB3  TRP   2          1HB       TRP   2  -3.225   2.267   4.855
   17    HD1  TRP   2           HD       TRP   2  -5.263   0.835   4.047
   18    HE1  TRP   2          1HE       TRP   2  -5.745  -1.704   4.150
   19    HE3  TRP   2          3HE       TRP   2  -0.644  -0.806   5.154
   20    HZ2  TRP   2          2HZ       TRP   2  -4.302  -4.145   4.672
   21    HZ3  TRP   2          3HZ       TRP   2  -0.172  -3.246   5.469
   22    HH2  TRP   2           HH       TRP   2  -2.000  -4.907   5.218
   23    H    TRP   3           H        TRP   3  -2.589  -0.480   2.222
   24    HA   TRP   3           HA       TRP   3  -0.064  -1.781   2.591
   25    HB2  TRP   3          2HB       TRP   3  -1.076  -3.597   1.217
   26    HB3  TRP   3          1HB       TRP   3  -2.041  -3.157   2.617
   27    HD1  TRP   3           HD       TRP   3  -4.070  -1.466   2.182
   28    HE1  TRP   3          1HE       TRP   3  -5.576  -1.236   0.107
   29    HE3  TRP   3          3HE       TRP   3  -1.136  -3.758  -1.200
   30    HZ2  TRP   3          2HZ       TRP   3  -5.516  -1.947  -2.690
   31    HZ3  TRP   3          3HZ       TRP   3  -1.822  -3.953  -3.551
   32    HH2  TRP   3           HH       TRP   3  -4.013  -3.073  -4.322
   33    H    LEU   4           H        LEU   4  -1.580   0.141   0.162
   34    HA   LEU   4           HA       LEU   4  -0.028  -0.730  -2.072
   35    HB2  LEU   4          2HB       LEU   4  -2.164   1.042  -1.648
   36    HB3  LEU   4          1HB       LEU   4  -0.858   2.069  -2.200
   37    HG   LEU   4           HG       LEU   4  -0.739   1.007  -4.292
   38   HD11  LEU   4          1HD1      LEU   4  -0.554  -1.283  -4.009
   39   HD12  LEU   4          2HD1      LEU   4  -2.236  -1.205  -4.531
   40   HD13  LEU   4          3HD1      LEU   4  -1.851  -1.327  -2.820
   41   HD21  LEU   4          1HD2      LEU   4  -2.822   2.226  -4.113
   42   HD22  LEU   4          2HD2      LEU   4  -3.611   0.848  -3.346
   43   HD23  LEU   4          3HD2      LEU   4  -3.120   0.755  -5.037
   44    H    ARG   5           H        ARG   5   0.208   2.083   0.103
   45    HA   ARG   5           HA       ARG   5   2.655   2.979  -1.061
   46    HB2  ARG   5          2HB       ARG   5   2.795   4.357   1.072
   47    HB3  ARG   5          1HB       ARG   5   1.359   4.611   0.093
   48    HG2  ARG   5          2HG       ARG   5   0.279   4.315   2.091
   49    HG3  ARG   5          1HG       ARG   5   0.483   2.607   1.718
   50    HD2  ARG   5          2HD       ARG   5   1.327   2.781   3.905
   51    HD3  ARG   5          1HD       ARG   5   2.780   2.843   2.912
   52    HE   ARG   5           HE       ARG   5   2.059   5.470   3.197
   53   HH11  ARG   5          1HH1      ARG   5   2.807   6.776   4.898
   54   HH12  ARG   5          2HH1      ARG   5   3.311   6.046   6.385
   55   HH21  ARG   5          1HH2      ARG   5   2.651   2.810   5.329
   56   HH22  ARG   5          2HH2      ARG   5   3.224   3.801   6.629
   57    H    LYS   6           H        LYS   6   1.869   0.697   1.501
   58    HA   LYS   6           HA       LYS   6   4.534   0.613   2.562
   59    HB2  LYS   6          2HB       LYS   6   3.669  -0.772   4.134
   60    HB3  LYS   6          1HB       LYS   6   2.111  -0.334   3.450
   61    HG2  LYS   6          2HG       LYS   6   2.092  -2.305   2.055
   62    HG3  LYS   6          1HG       LYS   6   3.752  -2.697   2.497
   63    HD2  LYS   6          2HD       LYS   6   3.179  -3.393   4.631
   64    HD3  LYS   6          1HD       LYS   6   1.722  -2.401   4.674
   65    HE2  LYS   6          2HE       LYS   6   1.407  -4.948   4.411
   66    HE3  LYS   6          1HE       LYS   6   0.519  -3.908   3.298
   67    HZ1  LYS   6          1HZ       LYS   6   3.196  -4.710   2.482
   68    HZ2  LYS   6          2HZ       LYS   6   1.783  -4.532   1.555
   69    HZ3  LYS   6          3HZ       LYS   6   2.018  -5.930   2.492
   70    H    ILE   7           H        ILE   7   2.700  -1.293   0.207
   71    HA   ILE   7           HA       ILE   7   4.844  -3.109  -0.337
   72    HB   ILE   7           HB       ILE   7   2.211  -3.221  -0.903
   73   HG12  ILE   7          2HG1      ILE   7   3.686  -5.126  -1.207
   74   HG13  ILE   7          1HG1      ILE   7   2.751  -4.905  -2.686
   75   HG21  ILE   7          1HG2      ILE   7   2.594  -1.239  -2.493
   76   HG22  ILE   7          2HG2      ILE   7   1.641  -2.595  -3.084
   77   HG23  ILE   7          3HG2      ILE   7   3.327  -2.423  -3.562
   78   HD11  ILE   7          1HD1      ILE   7   4.962  -5.254  -3.441
   79   HD12  ILE   7          2HD1      ILE   7   5.646  -4.214  -2.196
   80   HD13  ILE   7          3HD1      ILE   7   4.738  -3.509  -3.533
   81    H    TRP   8           H        TRP   8   3.917   0.063  -1.252
   82    HA   TRP   8           HA       TRP   8   6.074   0.210  -3.258
   83    HB2  TRP   8          2HB       TRP   8   3.663   2.012  -2.946
   84    HB3  TRP   8          1HB       TRP   8   4.854   2.092  -4.234
   85    HD1  TRP   8           HD       TRP   8   1.552   1.037  -3.908
   86    HE1  TRP   8          1HE       TRP   8   0.950  -1.004  -5.319
   87    HE3  TRP   8          3HE       TRP   8   6.236  -0.651  -5.098
   88    HZ2  TRP   8          2HZ       TRP   8   2.251  -3.083  -6.783
   89    HZ3  TRP   8          3HZ       TRP   8   6.511  -2.666  -6.504
   90    HH2  TRP   8           HH       TRP   8   4.524  -3.883  -7.347
   91    HN1  NH2   9          1H        NH2   8   6.376   0.449  -0.298
   92    HN2  NH2   9          2H        NH2   8   6.995   2.011  -0.036