*HEADER    ANTIMICROBIAL PROTEIN                   06-FEB-15   2MZ6              
*TITLE     NMR STRUCTURE OF PROTEGRIN-3 (PG3) IN THE PRESENCE OF DPC MICELLES    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: PROTEGRIN-3;                                               
*COMPND   3 CHAIN: A, B;                                                         
*COMPND   4 FRAGMENT: UNP RESIDUES 131-148;                                      
*COMPND   5 SYNONYM: PG-3;                                                       
*COMPND   6 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SUS SCROFA;                                     
*SOURCE   4 ORGANISM_COMMON: PIGS,SWINE,WILD BOAR;                               
*SOURCE   5 ORGANISM_TAXID: 9823                                                 
*KEYWDS    PROTEGRIN, ANTIMICROBIAL PROTEIN, DPC MICELLE, DIMER                  
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    K.S.USACHEV, S.V.EFIMOV, O.A.KOLOSOVA, E.A.KLOCHKOVA, A.V.AGANOV,     
*AUTHOR   2 V.V.KLOCHKOV                                                         
*REVDAT   1   25-MAR-15 2MZ6    0                                                


set message=off echo=off end
!A INTRAMONOMER NOES
!A.1.1 short range interresidue (|i - j| <= 5) NOEs: intramonomer A
!CaH(i)-NH(i+1) 
assign (segid A*  and resid    2 and  name HA#  )
  (segid A*  and resid    3 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid    3 and  name HA#  )
  (segid A*  and resid    4 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid    4 and  name HA#  )
  (segid A*  and resid    5 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid    6 and  name HA   )
  (segid A*  and resid    7 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid    7 and  name HA   )
  (segid A*  and resid    8 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid    8 and  name HA   )
  (segid A*  and resid    9 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid    9 and  name HA   )
  (segid A*  and resid   10 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid   10 and  name HA   )
  (segid A*  and resid   11 and  name HN   ) 3.0 0.7 0.5
assign (segid A*  and resid   11 and  name HA   )
  (segid A*  and resid   12 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid   12 and  name HA   )
  (segid A*  and resid   13 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid   13 and  name HA   )
  (segid A*  and resid   14 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid   14 and  name HA   )
  (segid A*  and resid   15 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid   15 and  name HA   )
  (segid A*  and resid   16 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid   16 and  name HA   )
  (segid A*  and resid   17 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid   17 and  name HA#  )
  (segid A*  and resid   18 and  name HN   ) 2.5 0.7 0.2
!NH(i)-NH(i+1) NOEs
assign (segid A*  and resid    2 and  name HN   )
  (segid A*  and resid    3 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    3 and  name HN   )
  (segid A*  and resid    4 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    4 and  name HN   )
  (segid A*  and resid    5 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    5 and  name HN   )
  (segid A*  and resid    6 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    6 and  name HN   )
  (segid A*  and resid    7 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    7 and  name HN   )
  (segid A*  and resid    8 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    8 and  name HN   )
  (segid A*  and resid    9 and  name HN   ) 4.0 1.0 3.0
assign (segid A*  and resid    9 and  name HN   )
  (segid A*  and resid   10 and  name HN   ) 4.0 1.5 3.0
assign (segid A*  and resid   11 and  name HN   )
  (segid A*  and resid   12 and  name HN   ) 3.0 1.2 0.5
assign (segid A*  and resid   12 and  name HN   )
  (segid A*  and resid   13 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   14 and  name HN   )
  (segid A*  and resid   15 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   15 and  name HN   )
  (segid A*  and resid   16 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   16 and  name HN   )
  (segid A*  and resid   17 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   17 and  name HN   )
  (segid A*  and resid   18 and  name HN   ) 4.0 1.7 1.0
!CbH(i)-NH(i+1)
assign (segid A*  and resid    1 and  name HB#  )
  (segid A*  and resid    2 and  name HN   ) 2.5 0.7 0.2
assign (segid A*  and resid    5 and  name HB#  )
  (segid A*  and resid    6 and  name HN   ) 3.0 1.2 0.5
assign (segid A*  and resid    6 and  name HB#  )
  (segid A*  and resid    7 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    7 and  name HB2  )
  (segid A*  and resid    8 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    8 and  name HB1  )
  (segid A*  and resid    9 and  name HN   ) 3.0 1.2 0.5
assign (segid A*  and resid    8 and  name HB2  )
  (segid A*  and resid    9 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid    9 and  name HB1  )
  (segid A*  and resid   10 and  name HN   ) 3.0 1.2 0.5
assign (segid A*  and resid   11 and  name HB#  )
  (segid A*  and resid   12 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   12 and  name HB1  )
  (segid A*  and resid   13 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   12 and  name HB2  )
  (segid A*  and resid   13 and  name HN   ) 3.0 1.2 0.5
assign (segid A*  and resid   13 and  name HB2  )
  (segid A*  and resid   14 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   15 and  name HB#  )
  (segid A*  and resid   16 and  name HN   ) 3.0 1.2 0.5
assign (segid A*  and resid   16 and  name HB#  )
  (segid A*  and resid   17 and  name HN   ) 3.0 1.2 0.5
!NH(i)-NH(i+2)
!NH(i)-NH(i+3)
assign (segid A*  and resid    9 and  name HN   )
  (segid A*  and resid   12 and  name HN   ) 3.0 1.2 1.0
!NH(i)-NH(i+4)
!CaH(i)-NH(i+2)
assign (segid A*  and resid  3 and name ha#)
  (segid A*  and resid  5 and name hn) 4.0 1.0 3.0
!CaH(i)-NH(i+3)
!CaH(i)-NH(i+4)
!CbH(i)-NH(i+2)
assign (segid A*  and resid   16 and  name HB   )
  (segid A*  and resid   18 and  name HN   ) 4.0 1.0 3.0
!CbH(i)-NH(i+3)
!Tyr-7 HD#
assign (segid A*  and resid  7 and name hd#)
  (segid A*  and resid  6 and name ha) 4.0 1.0 3.0
assign (segid A*  and resid  7 and name hd#)
  (segid A*  and resid  6 and name hn) 4.0 1.7 1.0
  assign (segid A*  and resid  7 and name hd#)
  (segid A*  and resid  8 and name ha) 4.0 1.7 1.0
assign (segid A*  and resid  7 and name hd#)
  (segid A*  and resid  8 and name hb2) 4.0 1.7 1.0
assign (segid A*  and resid  7 and name hd#)
  (segid A*  and resid  6 and name hb#) 4.0 1.0 3.0
!Tyr-7 HE#
assign (segid A*  and resid  7 and name he#)
  (segid A*  and resid  8 and name ha) 4.0 1.0 3.0
assign (segid A*  and resid  7 and name he#)
  (segid A*  and resid  8 and name hn) 4.0 1.7 1.0
!Phe-12 HD#
assign (segid A*  and resid 12 and name hd#)
  (segid A*  and resid 14 and name hg#) 4.0 1.0 2.0
assign (segid A*  and resid 12 and name hd#)
  (segid A*  and resid 11 and name hb#) 4.0 1.7 1.0
assign (segid A*  and resid 12 and name hd#)
  (segid A*  and resid 10 and name hg1) 4.0 1.0 3.0
!Phe-12 HE#
assign (segid A*  and resid 12 and name he#)
  (segid A*  and resid 13 and name hn) 4.0 1.0 2.0
assign (segid A*  and resid 12 and name he#)
  (segid A*  and resid 14 and name hg#) 4.0 1.7 1.0
assign (segid A*  and resid 12 and name he#)
  (segid A*  and resid 11 and name hn) 4.0 1.0 3.0
!Arg-1 HD#
assign (segid A*  and resid    1 and  name HD#  )
  (segid A*  and resid    2 and  name HN   ) 3.0 1.2 0.5
!Arg-1 HG1
assign (segid A*  and resid    1 and  name HG1  )
  (segid A*  and resid    2 and  name HN   ) 4.0 1.7 1.0
!Gly-2 NH
assign (segid A*  and resid  2 and name hn)
  (segid A*  and resid  3 and name ha#) 4.0 1.0 2.0
!Gly-3 NH
assign (segid A*  and resid  3 and name hn)
  (segid A*  and resid  4 and name ha#) 4.0 1.0 2.0
!Gly-4 CaH#
assign (segid A*  and resid  4 and name ha#)
  (segid A*  and resid  5 and name ha) 4.0 1.7 1.0
assign (segid A*  and resid  4 and name ha#)
  (segid A*  and resid  5 and name hb#) 4.0 1.7 1.0
assign (segid A*  and resid  4 and name ha#)
  (segid A*  and resid  5 and name hd1#) 3.0 1.2 1.0
!Leu-5 HN
assign (segid A*  and resid  5 and name hn)
  (segid A*  and resid  6 and name hb2) 4.0 1.7 1.0
!Leu-5 HD1#
assign (segid A*  and resid    5 and  name HD1#  )
  (segid A*  and resid    6 and  name HN   ) 4.0 1.7 1.0
!Leu-5 HD2#
assign (segid A*  and resid    5 and  name HD2#  )
  (segid A*  and resid    6 and  name HN   ) 4.0 1.7 1.0
!Leu-5 HG#
assign (segid A*  and resid    5 and  name HG   )
  (segid A*  and resid    6 and  name HN   ) 4.0 1.7 1.0
!Cys-6 HN
assign (segid A*  and resid    6 and  name HN  )
  (segid A*  and resid    7 and  name HA   ) 4.0 1.7 1.0
!Cys-8 CaH
assign (segid A*  and resid    8 and  name HA  )
  (segid A*  and resid    9 and  name HH#  ) 4.0 1.0 2.0
!Cys-8 CbH
assign (segid A*  and resid    8 and  name HB2 )
  (segid A*  and resid    9 and  name HA   ) 4.0 1.7 1.0
assign (segid A*  and resid    8 and  name HB2 )
  (segid A*  and resid    9 and  name HH#  ) 4.0 1.0 2.0
!Arg-9 CaH
assign (segid A*  and resid    9 and  name HA  )
  (segid A*  and resid   11 and  name HA   ) 4.0 1.0 3.0
!Arg-9 CbH#
assign (segid A*  and resid    9 and  name HB# )
  (segid A*  and resid   13 and  name HA   ) 4.0 1.7 1.0
!Arg-10 HA
assign (segid A*  and resid   10 and  name HA  )
  (segid A*  and resid   11 and  name HG2  ) 4.0 1.0 2.0
!Arg-10 HG1
assign (segid A*  and resid   10 and  name HG1 )
  (segid A*  and resid   11 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   10 and  name HG1 )
  (segid A*  and resid   12 and  name HE#  ) 4.0 1.7 1.0
!Arg-10 HD#
assign (segid A*  and resid   10 and  name HD#  )
  (segid A*  and resid   11 and  name HN   ) 4.0 1.4 1.0
!Arg-11 HN
assign (segid A*  and resid   11 and  name HN   )
  (segid A*  and resid   12 and  name HA   ) 4.0 1.0 2.0
assign (segid A*  and resid   11 and  name HN   )
  (segid A*  and resid   12 and  name HB1  ) 3.0 1.2 1.0
!Arg-11 HG1
assign (segid A*  and resid   11 and  name HG1  )
  (segid A*  and resid   12 and  name HN   ) 4.0 1.7 1.0
!Arg-11 HG2
assign (segid A*  and resid   11 and  name HG2  )
  (segid A*  and resid   12 and  name HN   ) 4.0 1.0 2.0
!Cys-13 HN
assign (segid A*  and resid   13 and  name HN   )
  (segid A*  and resid   14 and  name HB  ) 4.0 1.0 2.0
!Cys-13 HA
assign (segid A*  and resid   13 and  name HA   )
  (segid A*  and resid   14 and  name HG1# ) 3.0 1.2 1.0
assign (segid A*  and resid   13 and  name HA   )
  (segid A*  and resid   14 and  name HA   ) 4.0 1.7 1.0
!Cys-13 HB1
assign (segid A*  and resid   13 and  name HB1  )
  (segid A*  and resid   14 and  name HG1# ) 4.0 1.0 2.0
!Val-14 HB#
assign (segid A*  and resid   14 and  name HB  )
  (segid A*  and resid   15 and  name HA   ) 4.0 1.0 2.0
!Val-14 HG1#
assign (segid A*  and resid   14 and  name HG1# )
  (segid A*  and resid   15 and  name HA   ) 4.0 1.7 1.0
!Val-14 HG2#
assign (segid A*  and resid   14 and  name HG2# )
  (segid A*  and resid   15 and  name HA   ) 4.0 1.7 1.0
!Cys-15 HA
assign (segid A*  and resid   15 and  name HA   )
  (segid A*  and resid   16 and  name HG#  ) 4.0 1.7 1.0
!Cys-15 HB2
assign (segid A*  and resid   15 and  name HB2  )
  (segid A*  and resid   16 and  name HA   ) 4.0 1.7 1.0
!Val-16 HN
assign (segid A*  and resid   16 and  name HN   )
  (segid A*  and resid   17 and  name HA#  ) 4.0 1.7 1.0
!Val-16 CaH
assign (segid A*  and resid   16 and  name HA   )
  (segid A*  and resid   17 and  name HA#  ) 4.0 1.7 1.0
!Val-16 CbH#
assign (segid A*  and resid   16 and  name HB   )
  (segid A*  and resid   17 and  name HA#  ) 4.0 1.7 1.0
!Val-16 HG#
assign (segid A*  and resid   16 and  name HG#  )
  (segid A*  and resid   17 and  name HN   ) 4.0 1.7 1.0
assign (segid A*  and resid   16 and  name HG#  )
  (segid A*  and resid   17 and  name HA#  ) 4.0 1.7 2.0
assign (segid A*  and resid   16 and  name HG#  )
  (segid A*  and resid   18 and  name HB#  ) 4.0 1.0 3.0
assign (segid A*  and resid   16 and  name HG#  )
  (segid A*  and resid   18 and  name HN   ) 4.0 1.0 2.0
!Gly-17 CaH#
assign (segid A*  and resid   17 and  name HA#  )
  (segid A*  and resid   18 and  name HA   ) 4.0 1.7 1.0
assign (segid A*  and resid   17 and  name HA#  )
  (segid A*  and resid   18 and  name HB#  ) 4.0 1.7 1.0
!A.1.2 short range interresidue (|i - j| <= 5) NOEs: intramonomer B
!CaH(i)-NH(i+1) 
assign (segid B*  and resid    2 and  name HA#  )
  (segid B*  and resid    3 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid    3 and  name HA#  )
  (segid B*  and resid    4 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid    4 and  name HA#  )
  (segid B*  and resid    5 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid    6 and  name HA   )
  (segid B*  and resid    7 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid    7 and  name HA   )
  (segid B*  and resid    8 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid    8 and  name HA   )
  (segid B*  and resid    9 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid    9 and  name HA   )
  (segid B*  and resid   10 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid   10 and  name HA   )
  (segid B*  and resid   11 and  name HN   ) 3.0 0.7 0.5
assign (segid B*  and resid   11 and  name HA   )
  (segid B*  and resid   12 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid   12 and  name HA   )
  (segid B*  and resid   13 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid   13 and  name HA   )
  (segid B*  and resid   14 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid   14 and  name HA   )
  (segid B*  and resid   15 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid   15 and  name HA   )
  (segid B*  and resid   16 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid   16 and  name HA   )
  (segid B*  and resid   17 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid   17 and  name HA#  )
  (segid B*  and resid   18 and  name HN   ) 2.5 0.7 0.2
!NH(i)-NH(i+1) NOEs
assign (segid B*  and resid    2 and  name HN   )
  (segid B*  and resid    3 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    3 and  name HN   )
  (segid B*  and resid    4 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    4 and  name HN   )
  (segid B*  and resid    5 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    5 and  name HN   )
  (segid B*  and resid    6 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    6 and  name HN   )
  (segid B*  and resid    7 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    7 and  name HN   )
  (segid B*  and resid    8 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    8 and  name HN   )
  (segid B*  and resid    9 and  name HN   ) 4.0 1.0 3.0
assign (segid B*  and resid    9 and  name HN   )
  (segid B*  and resid   10 and  name HN   ) 4.0 1.5 3.0
assign (segid B*  and resid   11 and  name HN   )
  (segid B*  and resid   12 and  name HN   ) 3.0 1.2 0.5
assign (segid B*  and resid   12 and  name HN   )
  (segid B*  and resid   13 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   14 and  name HN   )
  (segid B*  and resid   15 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   15 and  name HN   )
  (segid B*  and resid   16 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   16 and  name HN   )
  (segid B*  and resid   17 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   17 and  name HN   )
  (segid B*  and resid   18 and  name HN   ) 4.0 1.7 1.0
!CbH(i)-NH(i+1)
assign (segid B*  and resid    1 and  name HB#  )
  (segid B*  and resid    2 and  name HN   ) 2.5 0.7 0.2
assign (segid B*  and resid    5 and  name HB#  )
  (segid B*  and resid    6 and  name HN   ) 3.0 1.2 0.5
assign (segid B*  and resid    6 and  name HB#  )
  (segid B*  and resid    7 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    7 and  name HB2  )
  (segid B*  and resid    8 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    8 and  name HB1  )
  (segid B*  and resid    9 and  name HN   ) 3.0 1.2 0.5
assign (segid B*  and resid    8 and  name HB2  )
  (segid B*  and resid    9 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid    9 and  name HB1  )
  (segid B*  and resid   10 and  name HN   ) 3.0 1.2 0.5
assign (segid B*  and resid   11 and  name HB#  )
  (segid B*  and resid   12 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   12 and  name HB1  )
  (segid B*  and resid   13 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   12 and  name HB2  )
  (segid B*  and resid   13 and  name HN   ) 3.0 1.2 0.5
assign (segid B*  and resid   13 and  name HB2  )
  (segid B*  and resid   14 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   15 and  name HB#  )
  (segid B*  and resid   16 and  name HN   ) 3.0 1.2 0.5
assign (segid B*  and resid   16 and  name HB#  )
  (segid B*  and resid   17 and  name HN   ) 3.0 1.2 0.5
!NH(i)-NH(i+2)
!NH(i)-NH(i+3)
assign (segid B*  and resid    9 and  name HN   )
  (segid B*  and resid   12 and  name HN   ) 3.0 1.2 1.0
!NH(i)-NH(i+4)
!CaH(i)-NH(i+2)
assign (segid B*  and resid  3 and name ha#)
  (segid B*  and resid  5 and name hn) 4.0 1.0 3.0
!CaH(i)-NH(i+3)
!CaH(i)-NH(i+4)
!CbH(i)-NH(i+2)
assign (segid B*  and resid   16 and  name HB   )
  (segid B*  and resid   18 and  name HN   ) 4.0 1.0 3.0
!CbH(i)-NH(i+3)
!Tyr-7 HD#
assign (segid B*  and resid  7 and name hd#)
  (segid B*  and resid  6 and name ha) 4.0 1.0 3.0
assign (segid B*  and resid  7 and name hd#)
  (segid B*  and resid  6 and name hn) 4.0 1.7 1.0
  assign (segid B*  and resid  7 and name hd#)
  (segid B*  and resid  8 and name ha) 4.0 1.7 1.0
assign (segid B*  and resid  7 and name hd#)
  (segid B*  and resid  8 and name hb2) 4.0 1.7 1.0
assign (segid B*  and resid  7 and name hd#)
  (segid B*  and resid  6 and name hb#) 4.0 1.0 3.0
!Tyr-7 HE#
assign (segid B*  and resid  7 and name he#)
  (segid B*  and resid  8 and name ha) 4.0 1.0 3.0
assign (segid B*  and resid  7 and name he#)
  (segid B*  and resid  8 and name hn) 4.0 1.7 1.0
!Phe-12 HD#
assign (segid B*  and resid 12 and name hd#)
  (segid B*  and resid 14 and name hg#) 4.0 1.0 2.0
assign (segid B*  and resid 12 and name hd#)
  (segid B*  and resid 11 and name hb#) 4.0 1.7 1.0
assign (segid B*  and resid 12 and name hd#)
  (segid B*  and resid 10 and name hg1) 4.0 1.0 3.0
!Phe-12 HE#
assign (segid B*  and resid 12 and name he#)
  (segid B*  and resid 13 and name hn) 4.0 1.0 2.0
assign (segid B*  and resid 12 and name he#)
  (segid B*  and resid 14 and name hg#) 4.0 1.7 1.0
assign (segid B*  and resid 12 and name he#)
  (segid B*  and resid 11 and name hn) 4.0 1.0 3.0
!Arg-1 HD#
assign (segid B*  and resid    1 and  name HD#  )
  (segid B*  and resid    2 and  name HN   ) 3.0 1.2 0.5
!Arg-1 HG1
assign (segid B*  and resid    1 and  name HG1  )
  (segid B*  and resid    2 and  name HN   ) 4.0 1.7 1.0
!Gly-2 NH
assign (segid B*  and resid  2 and name hn)
  (segid B*  and resid  3 and name ha#) 4.0 1.0 2.0
!Gly-3 NH
assign (segid B*  and resid  3 and name hn)
  (segid B*  and resid  4 and name ha#) 4.0 1.0 2.0
!Gly-4 CaH#
assign (segid B*  and resid  4 and name ha#)
  (segid B*  and resid  5 and name ha) 4.0 1.7 1.0
assign (segid B*  and resid  4 and name ha#)
  (segid B*  and resid  5 and name hb#) 4.0 1.7 1.0
assign (segid B*  and resid  4 and name ha#)
  (segid B*  and resid  5 and name hd1#) 3.0 1.2 1.0
!Leu-5 HN
assign (segid B*  and resid  5 and name hn)
  (segid B*  and resid  6 and name hb2) 4.0 1.7 1.0
!Leu-5 HD1#
assign (segid B*  and resid    5 and  name HD1#  )
  (segid B*  and resid    6 and  name HN   ) 4.0 1.7 1.0
!Leu-5 HD2#
assign (segid B*  and resid    5 and  name HD2#  )
  (segid B*  and resid    6 and  name HN   ) 4.0 1.7 1.0
!Leu-5 HG#
assign (segid B*  and resid    5 and  name HG   )
  (segid B*  and resid    6 and  name HN   ) 4.0 1.7 1.0
!Cys-6 HN
assign (segid B*  and resid    6 and  name HN  )
  (segid B*  and resid    7 and  name HA   ) 4.0 1.7 1.0
!Cys-8 CaH
assign (segid B*  and resid    8 and  name HA  )
  (segid B*  and resid    9 and  name HH#  ) 4.0 1.0 2.0
!Cys-8 CbH
assign (segid B*  and resid    8 and  name HB2 )
  (segid B*  and resid    9 and  name HA   ) 4.0 1.7 1.0
assign (segid B*  and resid    8 and  name HB2 )
  (segid B*  and resid    9 and  name HH#  ) 4.0 1.0 2.0
!Arg-9 CaH
assign (segid B*  and resid    9 and  name HA  )
  (segid B*  and resid   11 and  name HA   ) 4.0 1.0 3.0
!Arg-9 CbH#
assign (segid B*  and resid    9 and  name HB# )
  (segid B*  and resid   13 and  name HA   ) 4.0 1.7 1.0
!Arg-10 HA
assign (segid B*  and resid   10 and  name HA  )
  (segid B*  and resid   11 and  name HG2  ) 4.0 1.0 2.0
!Arg-10 HG1
assign (segid B*  and resid   10 and  name HG1 )
  (segid B*  and resid   11 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   10 and  name HG1 )
  (segid B*  and resid   12 and  name HE#  ) 4.0 1.7 1.0
!Arg-10 HD#
assign (segid B*  and resid   10 and  name HD#  )
  (segid B*  and resid   11 and  name HN   ) 4.0 1.4 1.0
!Arg-11 HN
assign (segid B*  and resid   11 and  name HN   )
  (segid B*  and resid   12 and  name HA   ) 4.0 1.0 2.0
assign (segid B*  and resid   11 and  name HN   )
  (segid B*  and resid   12 and  name HB1  ) 3.0 1.2 1.0
!Arg-11 HG1
assign (segid B*  and resid   11 and  name HG1  )
  (segid B*  and resid   12 and  name HN   ) 4.0 1.7 1.0
!Arg-11 HG2
assign (segid B*  and resid   11 and  name HG2  )
  (segid B*  and resid   12 and  name HN   ) 4.0 1.0 2.0
!Cys-13 HN
assign (segid B*  and resid   13 and  name HN   )
  (segid B*  and resid   14 and  name HB  ) 4.0 1.0 2.0
!Cys-13 HA
assign (segid B*  and resid   13 and  name HA   )
  (segid B*  and resid   14 and  name HG1# ) 3.0 1.2 1.0
assign (segid B*  and resid   13 and  name HA   )
  (segid B*  and resid   14 and  name HA   ) 4.0 1.7 1.0
!Cys-13 HB1
assign (segid B*  and resid   13 and  name HB1  )
  (segid B*  and resid   14 and  name HG1# ) 4.0 1.0 2.0
!Val-14 HB#
assign (segid B*  and resid   14 and  name HB  )
  (segid B*  and resid   15 and  name HA   ) 4.0 1.0 2.0
!Val-14 HG1#
assign (segid B*  and resid   14 and  name HG1# )
  (segid B*  and resid   15 and  name HA   ) 4.0 1.7 1.0
!Val-14 HG2#
assign (segid B*  and resid   14 and  name HG2# )
  (segid B*  and resid   15 and  name HA   ) 4.0 1.7 1.0
!Cys-15 HA
assign (segid B*  and resid   15 and  name HA   )
  (segid B*  and resid   16 and  name HG#  ) 4.0 1.7 1.0
!Cys-15 HB2
assign (segid B*  and resid   15 and  name HB2  )
  (segid B*  and resid   16 and  name HA   ) 4.0 1.7 1.0
!Val-16 HN
assign (segid B*  and resid   16 and  name HN   )
  (segid B*  and resid   17 and  name HA#  ) 4.0 1.7 1.0
!Val-16 CaH
assign (segid B*  and resid   16 and  name HA   )
  (segid B*  and resid   17 and  name HA#  ) 4.0 1.7 1.0
!Val-16 CbH#
assign (segid B*  and resid   16 and  name HB   )
  (segid B*  and resid   17 and  name HA#  ) 4.0 1.7 1.0
!Val-16 HG#
assign (segid B*  and resid   16 and  name HG#  )
  (segid B*  and resid   17 and  name HN   ) 4.0 1.7 1.0
assign (segid B*  and resid   16 and  name HG#  )
  (segid B*  and resid   17 and  name HA#  ) 4.0 1.7 2.0
assign (segid B*  and resid   16 and  name HG#  )
  (segid B*  and resid   18 and  name HB#  ) 4.0 1.0 3.0
assign (segid B*  and resid   16 and  name HG#  )
  (segid B*  and resid   18 and  name HN   ) 4.0 1.0 2.0
!Gly-17 CaH#
assign (segid B*  and resid   17 and  name HA#  )
  (segid B*  and resid   18 and  name HA   ) 4.0 1.7 1.0
assign (segid B*  and resid   17 and  name HA#  )
  (segid B*  and resid   18 and  name HB#  ) 4.0 1.7 1.0
!A.3.1 Intraresidue: intramonomer A
!Arg-1
assign (segid A*  and resid 1 and name ha)
  (segid A*  and resid 1 and name hb#) 3.0 1.2 0.5
!Gly-2
assign (segid A*  and resid 2 and name hn)
  (segid A*  and resid 2 and name ha#) 2.5 0.7 0.2
!Gly-3
assign (segid A*  and resid 3 and name hn)
  (segid A*  and resid 3 and name ha#) 2.5 0.7 0.2
!Gly-4
assign (segid A*  and resid 4 and name hn)
  (segid A*  and resid 4 and name ha#) 2.5 0.7 0.2
!Leu-5
assign (segid A*  and resid 5 and name hn)
  (segid A*  and resid 5 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 5 and name hn)
  (segid A*  and resid 5 and name hb#) 3.0 1.2 0.5
assign (segid A*  and resid 5 and name ha)
  (segid A*  and resid 5 and name hb#) 4.0 1.7 1.0
!Cys-6
assign (segid A*  and resid 6 and name hn)
  (segid A*  and resid 6 and name ha) 4.0 1.7 1.0
assign (segid A*  and resid 6 and name hn)
  (segid A*  and resid 6 and name hb#) 4.0 1.7 1.0
assign (segid A*  and resid 6 and name ha)
  (segid A*  and resid 6 and name hb#) 3.0 1.2 0.5
!Tyr-7
assign (segid A*  and resid 7 and name hn)
  (segid A*  and resid 7 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 7 and name hn)
  (segid A*  and resid 7 and name hb#) 3.0 1.2 0.5
assign (segid A*  and resid 7 and name ha)
  (segid A*  and resid 7 and name hb#) 3.0 1.2 0.5
!Cys-8
assign (segid A*  and resid 8 and name hn)
  (segid A*  and resid 8 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 8 and name hn)
  (segid A*  and resid 8 and name hb1) 3.0 1.2 0.5
assign (segid A*  and resid 8 and name hn)
  (segid A*  and resid 8 and name hb2) 4.0 1.7 1.0
assign (segid A*  and resid 8 and name ha)
  (segid A*  and resid 8 and name hb1) 4.0 1.7 1.0
assign (segid A*  and resid 8 and name ha)
  (segid A*  and resid 8 and name hb2) 3.0 1.2 0.5
!Arg-9
assign (segid A*  and resid 9 and name hn)
  (segid A*  and resid 9 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 9 and name hn)
  (segid A*  and resid 9 and name hb1) 3.0 1.2 0.5
assign (segid A*  and resid 9 and name hn)
  (segid A*  and resid 9 and name hb2) 2.5 0.7 0.2
assign (segid A*  and resid 9 and name ha)
  (segid A*  and resid 9 and name hb1) 3.0 1.2 0.5
assign (segid A*  and resid 9 and name ha)
  (segid A*  and resid 9 and name hb2) 3.0 1.2 0.5
!Arg-10
assign (segid A*  and resid 10 and name hn)
  (segid A*  and resid 10 and name ha) 2.5 0.7 0.2
assign (segid A*  and resid 10 and name hn)
  (segid A*  and resid 10 and name hb#) 3.0 1.2 0.5
assign (segid A*  and resid 10 and name ha)
  (segid A*  and resid 10 and name hb#) 3.0 1.2 0.5
!Arg-11
assign (segid A*  and resid 11 and name hn)
  (segid A*  and resid 11 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 11 and name hn)
  (segid A*  and resid 11 and name hb#) 2.5 0.7 0.2
assign (segid A*  and resid 11 and name ha)
  (segid A*  and resid 11 and name hb#) 2.5 0.7 0.2
!Phe-12
assign (segid A*  and resid 12 and name hn)
  (segid A*  and resid 12 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 12 and name hn)
  (segid A*  and resid 12 and name hb1) 3.0 1.2 0.5
assign (segid A*  and resid 12 and name hn)
  (segid A*  and resid 12 and name hb2) 4.0 1.7 1.0
assign (segid A*  and resid 12 and name ha)
  (segid A*  and resid 12 and name hb1) 3.0 1.2 0.5
assign (segid A*  and resid 12 and name ha)
  (segid A*  and resid 12 and name hb2) 3.0 1.2 0.5
!Cys-13
assign (segid A*  and resid 13 and name hn)
  (segid A*  and resid 13 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 13 and name hn)
  (segid A*  and resid 13 and name hb1) 3.0 1.2 0.5
assign (segid A*  and resid 13 and name hn)
  (segid A*  and resid 13 and name hb2) 2.5 0.7 0.2
assign (segid A*  and resid 13 and name ha)
  (segid A*  and resid 13 and name hb1) 3.0 1.2 0.5
assign (segid A*  and resid 13 and name ha)
  (segid A*  and resid 13 and name hb2) 2.5 0.7 0.2
!Val-14
assign (segid A*  and resid 14 and name hn)
  (segid A*  and resid 14 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 14 and name hn)
  (segid A*  and resid 14 and name hb) 3.0 1.2 0.5
assign (segid A*  and resid 14 and name ha)
  (segid A*  and resid 14 and name hb) 2.5 0.7 0.2
!Cys-15
assign (segid A*  and resid 15 and name hn)
  (segid A*  and resid 15 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 15 and name hn)
  (segid A*  and resid 15 and name hb1) 3.0 1.2 1.0
assign (segid A*  and resid 15 and name hn)
  (segid A*  and resid 15 and name hb2) 2.5 0.7 0.2
assign (segid A*  and resid 15 and name ha)
  (segid A*  and resid 15 and name hb1) 2.5 0.7 0.2
assign (segid A*  and resid 15 and name ha)
  (segid A*  and resid 15 and name hb2) 3.0 1.2 0.5
!Val-16
assign (segid A*  and resid 16 and name hn)
  (segid A*  and resid 16 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 16 and name hn)
  (segid A*  and resid 16 and name hb) 3.0 1.2 1.0
assign (segid A*  and resid 16 and name ha)
  (segid A*  and resid 16 and name hb) 2.5 0.7 0.2
!Gly-17]
assign (segid A*  and resid 17 and name hn)
  (segid A*  and resid 17 and name ha#) 2.5 0.7 0.2
!Arg-18
assign (segid A*  and resid 18 and name hn)
  (segid A*  and resid 18 and name ha) 3.0 1.2 0.5
assign (segid A*  and resid 18 and name hn)
  (segid A*  and resid 18 and name hb#) 3.0 1.2 0.5
assign (segid A*  and resid 18 and name ha)
  (segid A*  and resid 18 and name hb#) 2.5 0.7 0.2
!A.3.2.Intraresidue: intramonomer B
!Arg-1
assign (segid B*  and resid 1 and name ha)
  (segid B*  and resid 1 and name hb#) 3.0 1.2 0.5
!Gly-2
assign (segid B*  and resid 2 and name hn)
  (segid B*  and resid 2 and name ha#) 2.5 0.7 0.2
!Gly-3
assign (segid B*  and resid 3 and name hn)
  (segid B*  and resid 3 and name ha#) 2.5 0.7 0.2
!Gly-4
assign (segid B*  and resid 4 and name hn)
  (segid B*  and resid 4 and name ha#) 2.5 0.7 0.2
!Leu-5
assign (segid B*  and resid 5 and name hn)
  (segid B*  and resid 5 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 5 and name hn)
  (segid B*  and resid 5 and name hb#) 3.0 1.2 0.5
assign (segid B*  and resid 5 and name ha)
  (segid B*  and resid 5 and name hb#) 4.0 1.7 1.0
!Cys-6
assign (segid B*  and resid 6 and name hn)
  (segid B*  and resid 6 and name ha) 4.0 1.7 1.0
assign (segid B*  and resid 6 and name hn)
  (segid B*  and resid 6 and name hb#) 4.0 1.7 1.0
assign (segid B*  and resid 6 and name ha)
  (segid B*  and resid 6 and name hb#) 3.0 1.2 0.5
!Tyr-7
assign (segid B*  and resid 7 and name hn)
  (segid B*  and resid 7 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 7 and name hn)
  (segid B*  and resid 7 and name hb#) 3.0 1.2 0.5
assign (segid B*  and resid 7 and name ha)
  (segid B*  and resid 7 and name hb#) 3.0 1.2 0.5
!Cys-8
assign (segid B*  and resid 8 and name hn)
  (segid B*  and resid 8 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 8 and name hn)
  (segid B*  and resid 8 and name hb1) 3.0 1.2 0.5
assign (segid B*  and resid 8 and name hn)
  (segid B*  and resid 8 and name hb2) 4.0 1.7 1.0
assign (segid B*  and resid 8 and name ha)
  (segid B*  and resid 8 and name hb1) 4.0 1.7 1.0
assign (segid B*  and resid 8 and name ha)
  (segid B*  and resid 8 and name hb2) 3.0 1.2 0.5
!Arg-9
assign (segid B*  and resid 9 and name hn)
  (segid B*  and resid 9 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 9 and name hn)
  (segid B*  and resid 9 and name hb1) 3.0 1.2 0.5
assign (segid B*  and resid 9 and name hn)
  (segid B*  and resid 9 and name hb2) 2.5 0.7 0.2
assign (segid B*  and resid 9 and name ha)
  (segid B*  and resid 9 and name hb1) 3.0 1.2 0.5
assign (segid B*  and resid 9 and name ha)
  (segid B*  and resid 9 and name hb2) 3.0 1.2 0.5
!Arg-10
assign (segid B*  and resid 10 and name hn)
  (segid B*  and resid 10 and name ha) 2.5 0.7 0.2
assign (segid B*  and resid 10 and name hn)
  (segid B*  and resid 10 and name hb#) 3.0 1.2 0.5
assign (segid B*  and resid 10 and name ha)
  (segid B*  and resid 10 and name hb#) 3.0 1.2 0.5
!Arg-11
assign (segid B*  and resid 11 and name hn)
  (segid B*  and resid 11 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 11 and name hn)
  (segid B*  and resid 11 and name hb#) 2.5 0.7 0.2
assign (segid B*  and resid 11 and name ha)
  (segid B*  and resid 11 and name hb#) 2.5 0.7 0.2
!Phe-12
assign (segid B*  and resid 12 and name hn)
  (segid B*  and resid 12 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 12 and name hn)
  (segid B*  and resid 12 and name hb1) 3.0 1.2 0.5
assign (segid B*  and resid 12 and name hn)
  (segid B*  and resid 12 and name hb2) 4.0 1.7 1.0
assign (segid B*  and resid 12 and name ha)
  (segid B*  and resid 12 and name hb1) 3.0 1.2 0.5
assign (segid B*  and resid 12 and name ha)
  (segid B*  and resid 12 and name hb2) 3.0 1.2 0.5
!Cys-13
assign (segid B*  and resid 13 and name hn)
  (segid B*  and resid 13 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 13 and name hn)
  (segid B*  and resid 13 and name hb1) 3.0 1.2 0.5
assign (segid B*  and resid 13 and name hn)
  (segid B*  and resid 13 and name hb2) 2.5 0.7 0.2
assign (segid B*  and resid 13 and name ha)
  (segid B*  and resid 13 and name hb1) 3.0 1.2 0.5
assign (segid B*  and resid 13 and name ha)
  (segid B*  and resid 13 and name hb2) 2.5 0.7 0.2
!Val-14
assign (segid B*  and resid 14 and name hn)
  (segid B*  and resid 14 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 14 and name hn)
  (segid B*  and resid 14 and name hb) 3.0 1.2 0.5
assign (segid B*  and resid 14 and name ha)
  (segid B*  and resid 14 and name hb) 2.5 0.7 0.2
!Cys-15
assign (segid B*  and resid 15 and name hn)
  (segid B*  and resid 15 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 15 and name hn)
  (segid B*  and resid 15 and name hb1) 3.0 1.2 1.0
assign (segid B*  and resid 15 and name hn)
  (segid B*  and resid 15 and name hb2) 2.5 0.7 0.2
assign (segid B*  and resid 15 and name ha)
  (segid B*  and resid 15 and name hb1) 2.5 0.7 0.2
assign (segid B*  and resid 15 and name ha)
  (segid B*  and resid 15 and name hb2) 3.0 1.2 0.5
!Val-16
assign (segid B*  and resid 16 and name hn)
  (segid B*  and resid 16 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 16 and name hn)
  (segid B*  and resid 16 and name hb) 3.0 1.2 1.0
assign (segid B*  and resid 16 and name ha)
  (segid B*  and resid 16 and name hb) 2.5 0.7 0.2
!Gly-17]
assign (segid B*  and resid 17 and name hn)
  (segid B*  and resid 17 and name ha#) 2.5 0.7 0.2
!Arg-18
assign (segid B*  and resid 18 and name hn)
  (segid B*  and resid 18 and name ha) 3.0 1.2 0.5
assign (segid B*  and resid 18 and name hn)
  (segid B*  and resid 18 and name hb#) 3.0 1.2 0.5
assign (segid B*  and resid 18 and name ha)
  (segid B*  and resid 18 and name hb#) 2.5 0.7 0.2
!A.4.1 Hbonds: intramonomer A
assign (segid A* and resid   12 and  name N    )(segid A* and resid    9 and  name O    ) 2.8 0.4 0.5
assign (segid A* and resid    9 and  name N    )(segid A* and resid   12 and  name O    ) 2.8 0.4 0.5
assign (segid A* and resid   14 and  name N    )(segid A* and resid    7 and  name O    ) 2.8 0.4 0.5
assign (segid A* and resid    7 and  name N    )(segid A* and resid   14 and  name O    ) 2.8 0.4 0.5
assign (segid A* and resid   16 and  name N    )(segid A* and resid    5 and  name O    ) 2.8 0.4 0.5
assign (segid A* and resid    5 and  name N    )(segid A* and resid   16 and  name O    ) 2.8 0.4 0.5

assign (segid A* and resid   11 and  name HN   )(segid A* and resid    9 and  name O    ) 2.8 0.4 0.5
assign (segid A* and resid   12 and  name HN   )(segid A* and resid    9 and  name O    ) 1.8 0.3 0.5
assign (segid A* and resid    9 and  name HN   )(segid A* and resid   12 and  name O    ) 1.8 0.3 0.5
assign (segid A* and resid   14 and  name HN   )(segid A* and resid    7 and  name O    ) 1.8 0.3 0.5
assign (segid A* and resid    7 and  name HN   )(segid A* and resid   14 and  name O    ) 1.8 0.3 0.5
assign (segid A* and resid   16 and  name HN   )(segid A* and resid    5 and  name O    ) 1.8 0.3 0.5
assign (segid A* and resid    5 and  name HN   )(segid A* and resid   16 and  name O    ) 1.8 0.3 0.5

!A.4.2 Hbonds: intramonomer B
assign (segid B* and resid   12 and  name N    )(segid B* and resid    9 and  name O    ) 2.8 0.4 0.5
assign (segid B* and resid    9 and  name N    )(segid B* and resid   12 and  name O    ) 2.8 0.4 0.5
assign (segid B* and resid   14 and  name N    )(segid B* and resid    7 and  name O    ) 2.8 0.4 0.5
assign (segid B* and resid    7 and  name N    )(segid B* and resid   14 and  name O    ) 2.8 0.4 0.5
assign (segid B* and resid   16 and  name N    )(segid B* and resid    5 and  name O    ) 2.8 0.4 0.5
assign (segid B* and resid    5 and  name N    )(segid B* and resid   16 and  name O    ) 2.8 0.4 0.5

assign (segid B* and resid   11 and  name HN   )(segid B* and resid    9 and  name O    ) 2.8 0.4 0.5
assign (segid B* and resid   12 and  name HN   )(segid B* and resid    9 and  name O    ) 1.8 0.3 0.5
assign (segid B* and resid    9 and  name HN   )(segid B* and resid   12 and  name O    ) 1.8 0.3 0.5
assign (segid B* and resid   14 and  name HN   )(segid B* and resid    7 and  name O    ) 1.8 0.3 0.5
assign (segid B* and resid    7 and  name HN   )(segid B* and resid   14 and  name O    ) 1.8 0.3 0.5
assign (segid B* and resid   16 and  name HN   )(segid B* and resid    5 and  name O    ) 1.8 0.3 0.5
assign (segid B* and resid    5 and  name HN   )(segid B* and resid   16 and  name O    ) 1.8 0.3 0.5

! B.INTERMONOMER NOEs (Dimer contacts)
!Phe-12
assign (segid A*  and resid 12 and name hd#)
  (segid B*  and resid 16 and name hg#) 4.0 1.0 3.0
assign (segid B*  and resid 12 and name hd#)
  (segid A*  and resid 16 and name hg#) 4.0 1.0 3.0
assign (segid A*  and resid 12 and name he#)
  (segid B*  and resid 16 and name hg#) 4.0 1.0 3.0
assign (segid B*  and resid 12 and name he#)
  (segid A*  and resid 16 and name hg#) 4.0 1.0 3.0
assign (segid A*  and resid 12 and name hd#)
  (segid B*  and resid 16 and name hb) 4.0 1.0 3.0
assign (segid B*  and resid 12 and name hd#)
  (segid A*  and resid 16 and name hb) 4.0 1.0 3.0
assign (segid A*  and resid 12 and name he#)
  (segid B*  and resid 16 and name hb) 4.0 1.0 3.0
assign (segid B*  and resid 12 and name he#)
  (segid A*  and resid 16 and name hb) 4.0 1.0 3.0

  !Val-14
assign (segid A*  and resid 14 and name hg2#)
  (segid B*  and resid 15 and name hb2) 4.0 1.0 3.0
assign (segid B*  and resid 14 and name hg2#)
  (segid A*  and resid 15 and name hb2) 4.0 1.0 3.0

assign (segid A*  and resid 14 and name ha)
  (segid B*  and resid 16 and name hg#) 4.0 1.0 3.0
assign (segid B*  and resid 14 and name ha)
  (segid A*  and resid 16 and name hg#) 4.0 1.0 3.0

  !Cys-15
assign (segid A*  and resid 16 and name hg#)
  (segid B*  and resid 15 and name hn) 4.0 1.0 3.0
assign (segid B*  and resid 16 and name hg#)
  (segid A*  and resid 15 and name hn) 4.0 1.0 3.0

assign (segid A*  and resid 15 and name hb#)
  (segid B*  and resid 16 and name hg#) 4.0 1.0 3.0
assign (segid B*  and resid 15 and name hb#)
  (segid A*  and resid 16 and name hg#) 4.0 1.0 3.0

  !B Dimer hbonds
!N-O distances
assign (segid A* and resid   17 and  name N    )(segid B* and resid   13 and  name O    ) 2.8 0.4 0.5
assign (segid B* and resid   13 and  name N    )(segid A* and resid   17 and  name O    ) 2.8 0.4 0.5

assign (segid A* and resid   15 and  name N    )(segid B* and resid   15 and  name O    ) 2.8 0.4 0.5
assign (segid B* and resid   15 and  name N    )(segid A* and resid   15 and  name O    ) 2.8 0.4 0.5

!HN-O distances
assign (segid A* and resid   17 and  name HN   )(segid B* and resid   13 and  name O    ) 1.8 0.3 0.5
assign (segid B* and resid   13 and  name HN   )(segid A* and resid   17 and  name O    ) 1.8 0.3 0.5

assign (segid A* and resid   15 and  name HN   )(segid B* and resid   15 and  name O    ) 1.8 0.3 0.5
assign (segid B* and resid   15 and  name HN   )(segid A* and resid   15 and  name O    ) 1.8 0.3 0.5
!HA-HA 
assign (segid A* and resid   14 and  name HA   )(segid B* and resid   16 and  name HA   ) 1.8 0.3 0.5
assign (segid B* and resid   16 and  name HA   )(segid A* and resid   14 and  name HA   ) 1.8 0.3 0.5
set message=on echo=on end


  Entry H atom name         Submitted Coord H atom name
    1    H1   ARG   1           HT1      ARG   1  40.889   9.933 -11.966
    2    H2   ARG   1           HT2      ARG   1  41.222   9.334 -13.521
    3    H3   ARG   1           HT3      ARG   1  41.028   8.261 -12.218
    4    HA   ARG   1           HA       ARG   1  38.880  10.024 -13.287
    5    HB2  ARG   1           HB2      ARG   1  39.989   7.380 -13.998
    6    HB3  ARG   1           HB1      ARG   1  38.237   7.400 -13.798
    7    HG2  ARG   1           HG2      ARG   1  38.090   8.262 -15.874
    8    HG3  ARG   1           HG1      ARG   1  38.825   9.736 -15.246
    9    HD2  ARG   1           HD2      ARG   1  40.275   9.132 -17.016
   10    HD3  ARG   1           HD1      ARG   1  41.089   8.443 -15.597
   11    HE   ARG   1           HE       ARG   1  39.336   6.446 -16.381
   12   HH11  ARG   1          HH21      ARG   1  41.825   8.298 -17.938
   13   HH12  ARG   1          HH22      ARG   1  42.235   7.035 -19.047
   14   HH21  ARG   1          HH11      ARG   1  39.877   4.811 -17.828
   15   HH22  ARG   1          HH12      ARG   1  41.138   5.070 -18.986
   16    H    GLY   2           HN       GLY   2  36.732   8.779 -12.586
   17    HA2  GLY   2           HA2      GLY   2  36.937   8.409  -9.646
   18    HA3  GLY   2           HA1      GLY   2  35.449   8.732 -10.538
   19    H    GLY   3           HN       GLY   3  35.154   6.724  -8.849
   20    HA2  GLY   3           HA2      GLY   3  34.570   4.453 -10.499
   21    HA3  GLY   3           HA1      GLY   3  36.027   4.134  -9.557
   22    H    GLY   4           HN       GLY   4  35.087   2.576  -8.189
   23    HA2  GLY   4           HA2      GLY   4  33.344   3.701  -6.077
   24    HA3  GLY   4           HA1      GLY   4  32.735   2.290  -6.944
   25    H    LEU   5           HN       LEU   5  33.549   2.563  -4.088
   26    HA   LEU   5           HA       LEU   5  35.799   0.580  -4.031
   27    HB2  LEU   5           HB2      LEU   5  35.166   3.026  -2.605
   28    HB3  LEU   5           HB1      LEU   5  35.334   1.688  -1.470
   29    HG   LEU   5           HG       LEU   5  37.504   2.809  -1.879
   30   HD11  LEU   5          HD11      LEU   5  38.533   0.559  -3.033
   31   HD12  LEU   5          HD12      LEU   5  36.961  -0.033  -2.497
   32   HD13  LEU   5          HD13      LEU   5  38.081   0.674  -1.333
   33   HD21  LEU   5          HD21      LEU   5  38.395   3.138  -3.981
   34   HD22  LEU   5          HD22      LEU   5  36.683   3.198  -4.404
   35   HD23  LEU   5          HD23      LEU   5  37.602   1.714  -4.656
   36    H    CYS   6           HN       CYS   6  35.277  -1.448  -3.301
   37    HA   CYS   6           HA       CYS   6  32.805  -1.775  -1.639
   38    HB2  CYS   6           HB2      CYS   6  33.601  -2.944  -4.266
   39    HB3  CYS   6           HB1      CYS   6  32.767  -4.011  -3.136
   40    H    TYR   7           HN       TYR   7  33.246  -2.938   0.188
   41    HA   TYR   7           HA       TYR   7  35.701  -4.667   0.208
   42    HB2  TYR   7           HB2      TYR   7  34.618  -2.565   1.957
   43    HB3  TYR   7           HB1      TYR   7  35.086  -4.023   2.832
   44    HD1  TYR   7           HD2      TYR   7  36.349  -1.722   0.150
   45    HD2  TYR   7           HD1      TYR   7  37.325  -4.326   3.424
   46    HE1  TYR   7           HE2      TYR   7  38.736  -1.081  -0.051
   47    HE2  TYR   7           HE1      TYR   7  39.712  -3.685   3.222
   48    HH   TYR   7           HH       TYR   7  40.783  -1.053   1.674
   49    H    CYS   8           HN       CYS   8  35.338  -6.808   0.677
   50    HA   CYS   8           HA       CYS   8  32.727  -7.554   1.952
   51    HB2  CYS   8           HB2      CYS   8  33.576  -7.970  -0.692
   52    HB3  CYS   8           HB1      CYS   8  33.812  -9.528   0.100
   53    H    ARG   9           HN       ARG   9  32.925  -9.048   3.604
   54    HA   ARG   9           HA       ARG   9  35.301 -10.786   3.803
   55    HB2  ARG   9           HB2      ARG   9  35.064  -8.208   5.102
   56    HB3  ARG   9           HB1      ARG   9  35.151  -9.484   6.315
   57    HG2  ARG   9           HG2      ARG   9  37.076 -10.282   4.516
   58    HG3  ARG   9           HG1      ARG   9  37.219  -8.525   4.451
   59    HD2  ARG   9           HD2      ARG   9  37.065  -8.800   7.120
   60    HD3  ARG   9           HD1      ARG   9  37.766 -10.381   6.724
   61    HE   ARG   9           HE       ARG   9  39.056  -8.209   5.278
   62   HH11  ARG   9          HH21      ARG   9  38.916  -9.958   8.274
   63   HH12  ARG   9          HH22      ARG   9  40.555  -9.598   8.696
   64   HH21  ARG   9          HH11      ARG   9  41.184  -7.746   5.838
   65   HH22  ARG   9          HH12      ARG   9  41.833  -8.351   7.325
   66    H    ARG  10           HN       ARG  10  34.820 -12.625   5.051
   67    HA   ARG  10           HA       ARG  10  33.437 -14.182   6.165
   68    HB2  ARG  10           HB2      ARG  10  34.025 -12.231   7.812
   69    HB3  ARG  10           HB1      ARG  10  32.330 -11.785   7.624
   70    HG2  ARG  10           HG2      ARG  10  31.600 -13.568   8.836
   71    HG3  ARG  10           HG1      ARG  10  32.783 -14.660   8.116
   72    HD2  ARG  10           HD2      ARG  10  34.436 -13.074   9.591
   73    HD3  ARG  10           HD1      ARG  10  32.977 -13.054  10.601
   74    HE   ARG  10           HE       ARG  10  33.580 -15.721   9.616
   75   HH11  ARG  10          HH21      ARG  10  34.338 -13.340  12.025
   76   HH12  ARG  10          HH22      ARG  10  34.866 -14.510  13.184
   77   HH21  ARG  10          HH11      ARG  10  34.269 -17.234  11.130
   78   HH22  ARG  10          HH12      ARG  10  34.828 -16.704  12.682
   79    H    ARG  11           HN       ARG  11  30.740 -12.780   7.250
   80    HA   ARG  11           HA       ARG  11  29.236 -13.319   4.720
   81    HB2  ARG  11           HB2      ARG  11  29.031 -14.589   7.044
   82    HB3  ARG  11           HB1      ARG  11  28.010 -13.211   7.456
   83    HG2  ARG  11           HG2      ARG  11  26.306 -14.103   6.292
   84    HG3  ARG  11           HG1      ARG  11  27.291 -14.101   4.829
   85    HD2  ARG  11           HD2      ARG  11  27.984 -16.256   6.728
   86    HD3  ARG  11           HD1      ARG  11  26.355 -16.384   6.035
   87    HE   ARG  11           HE       ARG  11  28.843 -16.674   4.561
   88   HH11  ARG  11          HH21      ARG  11  25.555 -15.572   4.403
   89   HH12  ARG  11          HH22      ARG  11  25.438 -15.798   2.691
   90   HH21  ARG  11          HH11      ARG  11  28.680 -16.963   2.337
   91   HH22  ARG  11          HH12      ARG  11  27.197 -16.582   1.526
   92    H    PHE  12           HN       PHE  12  30.365 -10.760   4.942
   93    HA   PHE  12           HA       PHE  12  27.934  -9.093   5.015
   94    HB2  PHE  12           HB2      PHE  12  28.402  -8.001   6.968
   95    HB3  PHE  12           HB1      PHE  12  29.371  -9.426   7.326
   96    HD1  PHE  12           HD1      PHE  12  29.467  -5.936   6.091
   97    HD2  PHE  12           HD2      PHE  12  31.785  -9.349   7.286
   98    HE1  PHE  12           HE1      PHE  12  31.509  -4.530   6.147
   99    HE2  PHE  12           HE2      PHE  12  33.827  -7.943   7.343
  100    HZ   PHE  12           HZ       PHE  12  33.689  -5.533   6.773
  101    H    CYS  13           HN       CYS  13  28.209  -7.155   3.803
  102    HA   CYS  13           HA       CYS  13  30.906  -6.668   2.610
  103    HB2  CYS  13           HB2      CYS  13  29.016  -8.120   1.331
  104    HB3  CYS  13           HB1      CYS  13  28.514  -6.501   0.843
  105    H    VAL  14           HN       VAL  14  31.226  -4.472   1.981
  106    HA   VAL  14           HA       VAL  14  28.982  -2.562   2.429
  107    HB   VAL  14           HB       VAL  14  30.186  -2.871   4.566
  108   HG11  VAL  14          HG11      VAL  14  32.354  -3.550   3.460
  109   HG12  VAL  14          HG12      VAL  14  32.541  -2.384   4.771
  110   HG13  VAL  14          HG13      VAL  14  32.628  -1.847   3.093
  111   HG21  VAL  14          HG21      VAL  14  29.427  -0.538   3.539
  112   HG22  VAL  14          HG22      VAL  14  31.162  -0.221   3.568
  113   HG23  VAL  14          HG23      VAL  14  30.311  -0.608   5.063
  114    H    CYS  15           HN       CYS  15  29.030  -0.959   0.889
  115    HA   CYS  15           HA       CYS  15  31.585  -0.557  -0.637
  116    HB2  CYS  15           HB2      CYS  15  28.690  -0.732  -1.507
  117    HB3  CYS  15           HB1      CYS  15  29.953  -0.089  -2.557
  118    H    VAL  16           HN       VAL  16  32.031   1.617  -1.256
  119    HA   VAL  16           HA       VAL  16  30.168   3.721  -0.226
  120    HB   VAL  16           HB       VAL  16  32.172   4.858   0.726
  121   HG11  VAL  16          HG11      VAL  16  31.865   1.995   1.677
  122   HG12  VAL  16          HG12      VAL  16  30.776   3.315   2.102
  123   HG13  VAL  16          HG13      VAL  16  32.459   3.356   2.629
  124   HG21  VAL  16          HG21      VAL  16  33.525   2.894  -0.869
  125   HG22  VAL  16          HG22      VAL  16  33.973   2.641   0.817
  126   HG23  VAL  16          HG23      VAL  16  34.228   4.215   0.063
  127    H    GLY  17           HN       GLY  17  30.140   5.597  -1.506
  128    HA2  GLY  17           HA2      GLY  17  32.158   5.899  -3.651
  129    HA3  GLY  17           HA1      GLY  17  30.479   5.708  -4.160
  130    H    ARG  18           HN       ARG  18  32.038   8.061  -4.647
  131    HA   ARG  18           HA       ARG  18  30.570  10.043  -2.933
  132    HB2  ARG  18           HB2      ARG  18  33.255   9.603  -2.983
  133    HB3  ARG  18           HB1      ARG  18  33.112  10.810  -4.260
  134    HG2  ARG  18           HG2      ARG  18  32.847  12.444  -2.737
  135    HG3  ARG  18           HG1      ARG  18  31.465  11.602  -2.037
  136    HD2  ARG  18           HD2      ARG  18  32.742  10.599  -0.380
  137    HD3  ARG  18           HD1      ARG  18  34.210  10.587  -1.377
  138    HE   ARG  18           HE       ARG  18  33.337  12.784   0.315
  139   HH11  ARG  18          HH21      ARG  18  34.966  11.929  -2.629
  140   HH12  ARG  18          HH22      ARG  18  35.911  13.377  -2.664
  141   HH21  ARG  18          HH11      ARG  18  34.571  14.663   0.259
  142   HH22  ARG  18          HH12      ARG  18  35.690  14.918  -1.039
  143    H1   ARG   1           HT1      ARG   1  17.645  -7.153   6.425
  144    H2   ARG   1           HT2      ARG   1  17.290  -5.493   6.489
  145    H3   ARG   1           HT3      ARG   1  18.736  -6.028   5.775
  146    HA   ARG   1           HA       ARG   1  15.972  -6.346   4.734
  147    HB2  ARG   1           HB2      ARG   1  18.548  -5.004   3.863
  148    HB3  ARG   1           HB1      ARG   1  17.137  -5.156   2.816
  149    HG2  ARG   1           HG2      ARG   1  16.576  -3.139   3.731
  150    HG3  ARG   1           HG1      ARG   1  15.966  -4.143   5.047
  151    HD2  ARG   1           HD2      ARG   1  17.615  -3.467   6.476
  152    HD3  ARG   1           HD1      ARG   1  18.860  -3.536   5.213
  153    HE   ARG   1           HE       ARG   1  16.962  -1.396   4.727
  154   HH11  ARG   1          HH21      ARG   1  19.765  -2.338   6.543
  155   HH12  ARG   1          HH22      ARG   1  20.328  -0.713   6.741
  156   HH21  ARG   1          HH11      ARG   1  17.701   0.712   4.990
  157   HH22  ARG   1          HH12      ARG   1  19.166   1.006   5.867
  158    H    GLY   2           HN       GLY   2  16.202  -7.286   2.385
  159    HA2  GLY   2           HA2      GLY   2  17.950  -9.706   2.558
  160    HA3  GLY   2           HA1      GLY   2  16.417  -9.649   1.685
  161    H    GLY   3           HN       GLY   3  18.935 -10.428   0.522
  162    HA2  GLY   3           HA2      GLY   3  20.052 -10.073  -1.515
  163    HA3  GLY   3           HA1      GLY   3  18.889  -8.789  -1.851
  164    H    GLY   4           HN       GLY   4  20.353  -7.209  -2.531
  165    HA2  GLY   4           HA2      GLY   4  22.308  -6.295  -0.456
  166    HA3  GLY   4           HA1      GLY   4  22.661  -6.221  -2.183
  167    H    LEU   5           HN       LEU   5  22.369  -4.063  -0.061
  168    HA   LEU   5           HA       LEU   5  20.211  -2.461  -1.396
  169    HB2  LEU   5           HB2      LEU   5  20.883  -3.057   1.341
  170    HB3  LEU   5           HB1      LEU   5  21.043  -1.320   1.079
  171    HG   LEU   5           HG       LEU   5  18.746  -1.505  -0.116
  172   HD11  LEU   5          HD11      LEU   5  19.025  -4.127   0.090
  173   HD12  LEU   5          HD12      LEU   5  17.433  -3.388   0.259
  174   HD13  LEU   5          HD13      LEU   5  18.342  -3.862   1.695
  175   HD21  LEU   5          HD21      LEU   5  19.070  -0.374   2.041
  176   HD22  LEU   5          HD22      LEU   5  19.007  -1.923   2.880
  177   HD23  LEU   5          HD23      LEU   5  17.570  -1.302   2.067
  178    H    CYS   6           HN       CYS   6  20.739  -0.299  -1.996
  179    HA   CYS   6           HA       CYS   6  23.404   0.805  -1.467
  180    HB2  CYS   6           HB2      CYS   6  23.853  -0.861  -3.214
  181    HB3  CYS   6           HB1      CYS   6  22.576  -0.179  -4.219
  182    H    TYR   7           HN       TYR   7  23.160   3.009  -1.435
  183    HA   TYR   7           HA       TYR   7  21.337   4.363  -3.321
  184    HB2  TYR   7           HB2      TYR   7  20.491   3.478  -0.761
  185    HB3  TYR   7           HB1      TYR   7  20.685   5.226  -0.638
  186    HD1  TYR   7           HD1      TYR   7  19.758   6.573  -2.762
  187    HD2  TYR   7           HD2      TYR   7  18.455   2.666  -1.542
  188    HE1  TYR   7           HE1      TYR   7  17.630   6.897  -3.995
  189    HE2  TYR   7           HE2      TYR   7  16.328   2.990  -2.775
  190    HH   TYR   7           HH       TYR   7  15.605   4.472  -4.833
  191    H    CYS   8           HN       CYS   8  21.772   6.635  -3.424
  192    HA   CYS   8           HA       CYS   8  24.285   7.476  -2.020
  193    HB2  CYS   8           HB2      CYS   8  22.949   8.633  -4.489
  194    HB3  CYS   8           HB1      CYS   8  24.589   8.944  -3.929
  195    H    ARG   9           HN       ARG   9  24.135   9.177  -0.574
  196    HA   ARG   9           HA       ARG   9  21.657  10.867  -0.649
  197    HB2  ARG   9           HB2      ARG   9  22.357   8.895   1.220
  198    HB3  ARG   9           HB1      ARG   9  22.756  10.418   2.015
  199    HG2  ARG   9           HG2      ARG   9  20.574  11.066   2.159
  200    HG3  ARG   9           HG1      ARG   9  20.167  10.393   0.580
  201    HD2  ARG   9           HD2      ARG   9  20.388   8.076   1.683
  202    HD3  ARG   9           HD1      ARG   9  20.355   8.944   3.231
  203    HE   ARG   9           HE       ARG   9  18.070   9.394   2.859
  204   HH11  ARG   9          HH21      ARG   9  19.672   8.564  -0.107
  205   HH12  ARG   9          HH22      ARG   9  18.212   8.581  -1.037
  206   HH21  ARG   9          HH11      ARG   9  16.179   9.414   1.640
  207   HH22  ARG   9          HH12      ARG   9  16.245   9.060  -0.054
  208    H    ARG  10           HN       ARG  10  21.965  13.036   0.167
  209    HA   ARG  10           HA       ARG  10  23.192  15.047   0.365
  210    HB2  ARG  10           HB2      ARG  10  25.080  13.112   1.757
  211    HB3  ARG  10           HB1      ARG  10  25.023  14.858   2.002
  212    HG2  ARG  10           HG2      ARG  10  22.644  13.049   2.493
  213    HG3  ARG  10           HG1      ARG  10  23.798  13.483   3.754
  214    HD2  ARG  10           HD2      ARG  10  23.159  15.743   3.744
  215    HD3  ARG  10           HD1      ARG  10  22.483  15.642   2.106
  216    HE   ARG  10           HE       ARG  10  21.148  13.836   3.952
  217   HH11  ARG  10          HH21      ARG  10  21.343  17.108   2.810
  218   HH12  ARG  10          HH22      ARG  10  19.703  17.474   3.223
  219   HH21  ARG  10          HH11      ARG  10  19.018  14.323   4.486
  220   HH22  ARG  10          HH12      ARG  10  18.392  15.906   4.167
  221    H    ARG  11           HN       ARG  11  26.354  14.474   0.566
  222    HA   ARG  11           HA       ARG  11  26.736  14.531  -2.405
  223    HB2  ARG  11           HB2      ARG  11  28.399  15.595  -0.095
  224    HB3  ARG  11           HB1      ARG  11  28.813  15.772  -1.801
  225    HG2  ARG  11           HG2      ARG  11  26.925  17.158  -2.223
  226    HG3  ARG  11           HG1      ARG  11  26.172  16.730  -0.686
  227    HD2  ARG  11           HD2      ARG  11  28.792  18.252  -0.938
  228    HD3  ARG  11           HD1      ARG  11  27.216  19.000  -0.608
  229    HE   ARG  11           HE       ARG  11  27.398  16.963   1.270
  230   HH11  ARG  11          HH21      ARG  11  29.355  19.676   0.346
  231   HH12  ARG  11          HH22      ARG  11  30.007  19.897   1.934
  232   HH21  ARG  11          HH11      ARG  11  28.252  17.258   3.331
  233   HH22  ARG  11          HH12      ARG  11  29.386  18.535   3.616
  234    H    PHE  12           HN       PHE  12  26.446  12.033  -1.054
  235    HA   PHE  12           HA       PHE  12  28.909  10.714  -1.853
  236    HB2  PHE  12           HB2      PHE  12  29.933  10.493   0.178
  237    HB3  PHE  12           HB1      PHE  12  28.938  11.869   0.641
  238    HD1  PHE  12           HD2      PHE  12  26.549  11.329   1.551
  239    HD2  PHE  12           HD1      PHE  12  29.745   8.467   1.342
  240    HE1  PHE  12           HE2      PHE  12  25.405   9.928   3.247
  241    HE2  PHE  12           HE1      PHE  12  28.601   7.066   3.039
  242    HZ   PHE  12           HZ       PHE  12  26.431   7.797   3.991
  243    H    CYS  13           HN       CYS  13  28.535   8.466  -2.113
  244    HA   CYS  13           HA       CYS  13  25.710   7.603  -1.652
  245    HB2  CYS  13           HB2      CYS  13  26.913   7.644  -3.934
  246    HB3  CYS  13           HB1      CYS  13  27.832   6.261  -3.337
  247    H    VAL  14           HN       VAL  14  25.277   5.719  -0.475
  248    HA   VAL  14           HA       VAL  14  27.613   4.269   0.714
  249    HB   VAL  14           HB       VAL  14  26.686   5.969   2.267
  250   HG11  VAL  14          HG11      VAL  14  24.415   5.944   2.976
  251   HG12  VAL  14          HG12      VAL  14  24.120   4.371   2.235
  252   HG13  VAL  14          HG13      VAL  14  24.344   5.796   1.221
  253   HG21  VAL  14          HG21      VAL  14  25.942   3.136   3.062
  254   HG22  VAL  14          HG22      VAL  14  26.306   4.467   4.161
  255   HG23  VAL  14          HG23      VAL  14  27.573   3.804   3.130
  256    H    CYS  15           HN       CYS  15  27.416   2.119   0.239
  257    HA   CYS  15           HA       CYS  15  24.660   0.953   0.048
  258    HB2  CYS  15           HB2      CYS  15  27.047   0.421  -1.755
  259    HB3  CYS  15           HB1      CYS  15  25.442  -0.287  -1.928
  260    H    VAL  16           HN       VAL  16  24.477  -1.139   0.913
  261    HA   VAL  16           HA       VAL  16  26.976  -2.414   1.962
  262    HB   VAL  16           HB       VAL  16  25.704  -2.842   4.065
  263   HG11  VAL  16          HG11      VAL  16  25.650   0.098   3.341
  264   HG12  VAL  16          HG12      VAL  16  27.138  -0.779   3.697
  265   HG13  VAL  16          HG13      VAL  16  25.896  -0.610   4.937
  266   HG21  VAL  16          HG21      VAL  16  23.635  -0.952   2.910
  267   HG22  VAL  16          HG22      VAL  16  23.546  -1.842   4.430
  268   HG23  VAL  16          HG23      VAL  16  23.446  -2.705   2.896
  269    H    GLY  17           HN       GLY  17  26.883  -4.709   2.036
  270    HA2  GLY  17           HA2      GLY  17  24.405  -5.957   0.925
  271    HA3  GLY  17           HA1      GLY  17  25.995  -6.395   0.298
  272    H    ARG  18           HN       ARG  18  24.010  -8.109   1.681
  273    HA   ARG  18           HA       ARG  18  25.835  -9.148   3.801
  274    HB2  ARG  18           HB2      ARG  18  23.904  -7.588   4.595
  275    HB3  ARG  18           HB1      ARG  18  22.853  -8.952   4.211
  276    HG2  ARG  18           HG2      ARG  18  24.257 -10.397   5.687
  277    HG3  ARG  18           HG1      ARG  18  25.194  -8.972   6.137
  278    HD2  ARG  18           HD2      ARG  18  22.562  -8.149   6.535
  279    HD3  ARG  18           HD1      ARG  18  22.569  -9.829   7.108
  280    HE   ARG  18           HE       ARG  18  24.018  -7.617   8.326
  281   HH11  ARG  18          HH21      ARG  18  24.020 -11.030   7.689
  282   HH12  ARG  18          HH22      ARG  18  25.020 -11.403   9.051
  283   HH21  ARG  18          HH11      ARG  18  25.319  -8.114  10.092
  284   HH22  ARG  18          HH12      ARG  18  25.753  -9.761  10.405