*HEADER   R3ZNFMR   09-JUL-90
*COMPND   ZINC FINGER (/NMR$)
*SOURCE   HUMAN (HOMO $SAPIENS) ENHANCER BINDING PROTEIN                        
*EXPDTA   NMR                                                                   
*AUTHOR   A.M.GRONENBORN,G.M.CLORE,J.G.OMICHINSKI
*COORDS   3TRX
*REMARK                                                                         
*REMARK    HYDROGEN ATOMS IN THIS ENTRY HAVE BEEN ASSIGNED NAMES                
*REMARK    CONSISTENT WITH THE RECOMMENDATIONS OF THE IUPAC-IUB                 
*REMARK    COMMISSION ON BIOCHEMICAL NOMENCLATURE (SEE,E.G., J.MOL.             
*REMARK    BIOL. 52, 1 (1970)).  THE PROTEIN DATA BANK HAS FOLLOWED             
*REMARK    RULE 4.4 OF THE RECOMMENDATIONS WITH THE FOLLOWING                   
*REMARK    MODIFICATION - WHEN MORE THAN ONE HYDROGEN ATOM IS BONDED            
*REMARK    TO A SINGLE NON-HYDROGEN ATOM, THE HYDROGEN ATOM NUMBER              
*REMARK    DESIGNATION IS GIVEN AS THE FIRST CHARACTER OF THE ATOM              
*REMARK    NAME RATHER THAN AS THE LAST CHARACTER (E.G. H*BETA*1 IS             
*REMARK    DENOTED AS 1HB).  
*REMARK
*REMARK
*REMARK    THE FOLLOWING IS A LIST OF ALL HYDROGEN ATOMS WITH THEIR 
*REMARK    NAMES IN THE ENTRY AND THE ORIGINAL DATA:
H atom name in entry	  Original H atom name

   NH1  ARG   1           NH1  ARG   1
   NH2  ARG   1           NH2  ARG   1
  1H    ARG   1           HT1  ARG   1
  2H    ARG   1           HT3  ARG   1
  3H    ARG   1           HT2  ARG   1
   HA   ARG   1           HA   ARG   1
  1HB   ARG   1           HB2  ARG   1
  2HB   ARG   1           HB1  ARG   1
  1HG   ARG   1           HG2  ARG   1
  2HG   ARG   1           HG1  ARG   1
  1HD   ARG   1           HD2  ARG   1
  2HD   ARG   1           HD1  ARG   1
   HE   ARG   1           HE   ARG   1
  1HH1  ARG   1          HH11  ARG   1
  2HH1  ARG   1          HH12  ARG   1
  1HH2  ARG   1          HH21  ARG   1
  2HH2  ARG   1          HH22  ARG   1
   HA   PRO   2           HA   PRO   2
  1HB   PRO   2           HB2  PRO   2
  2HB   PRO   2           HB1  PRO   2
  1HG   PRO   2           HG2  PRO   2
  2HG   PRO   2           HG1  PRO   2
  1HD   PRO   2           HD1  PRO   2
  2HD   PRO   2           HD2  PRO   2
   OH   TYR   3           OH   TYR   3
   H    TYR   3           HN   TYR   3
   HA   TYR   3           HA   TYR   3
  1HB   TYR   3           HB2  TYR   3
  2HB   TYR   3           HB1  TYR   3
   HD1  TYR   3           HD1  TYR   3
   HD2  TYR   3           HD2  TYR   3
   HE1  TYR   3           HE1  TYR   3
   HE2  TYR   3           HE2  TYR   3
   HH   TYR   3           HH   TYR   3
   H    HIS   4           HN   HIS   4
   HA   HIS   4           HA   HIS   4
  1HB   HIS   4           HB2  HIS   4
  2HB   HIS   4           HB1  HIS   4
   HD1  HIS   4           HD1  HIS   4
   HD2  HIS   4           HD2  HIS   4
   HE1  HIS   4           HE1  HIS   4
   H    CYS   5           HN   CYS   5
   HA   CYS   5           HA   CYS   5
  1HB   CYS   5           HB2  CYS   5
  2HB   CYS   5           HB1  CYS   5
   H    SER   6           HN   SER   6
   HA   SER   6           HA   SER   6
  1HB   SER   6           HB2  SER   6
  2HB   SER   6           HB1  SER   6
   HG   SER   6           HG1  SER   6
   OH   TYR   7           OH   TYR   7
   H    TYR   7           HN   TYR   7
   HA   TYR   7           HA   TYR   7
  1HB   TYR   7           HB2  TYR   7
  2HB   TYR   7           HB1  TYR   7
   HD1  TYR   7           HD1  TYR   7
   HD2  TYR   7           HD2  TYR   7
   HE1  TYR   7           HE1  TYR   7
   HE2  TYR   7           HE2  TYR   7
   HH   TYR   7           HH   TYR   7
   H    CYS   8           HN   CYS   8
   HA   CYS   8           HA   CYS   8
  1HB   CYS   8           HB2  CYS   8
  2HB   CYS   8           HB1  CYS   8
   H    ASN   9           HN   ASN   9
   HA   ASN   9           HA   ASN   9
  1HB   ASN   9           HB2  ASN   9
  2HB   ASN   9           HB1  ASN   9
  1HD2  ASN   9          HD22  ASN   9
  2HD2  ASN   9          HD21  ASN   9
   H    PHE  10           HN   PHE  10
   HA   PHE  10           HA   PHE  10
  1HB   PHE  10           HB2  PHE  10
  2HB   PHE  10           HB1  PHE  10
   HD1  PHE  10           HD1  PHE  10
   HD2  PHE  10           HD2  PHE  10
   HE1  PHE  10           HE1  PHE  10
   HE2  PHE  10           HE2  PHE  10
   HZ   PHE  10           HZ   PHE  10
   H    SER  11           HN   SER  11
   HA   SER  11           HA   SER  11
  1HB   SER  11           HB2  SER  11
  2HB   SER  11           HB1  SER  11
   HG   SER  11           HG1  SER  11
   H    PHE  12           HN   PHE  12
   HA   PHE  12           HA   PHE  12
  1HB   PHE  12           HB2  PHE  12
  2HB   PHE  12           HB1  PHE  12
   HD1  PHE  12           HD1  PHE  12
   HD2  PHE  12           HD2  PHE  12
   HE1  PHE  12           HE1  PHE  12
   HE2  PHE  12           HE2  PHE  12
   HZ   PHE  12           HZ   PHE  12
   H    LYS  13           HN   LYS  13
   HA   LYS  13           HA   LYS  13
  1HB   LYS  13           HB2  LYS  13
  2HB   LYS  13           HB1  LYS  13
  1HG   LYS  13           HG2  LYS  13
  2HG   LYS  13           HG1  LYS  13
  1HD   LYS  13           HD2  LYS  13
  2HD   LYS  13           HD1  LYS  13
  1HE   LYS  13           HE2  LYS  13
  2HE   LYS  13           HE1  LYS  13
  1HZ   LYS  13           HZ3  LYS  13
  2HZ   LYS  13           HZ1  LYS  13
  3HZ   LYS  13           HZ2  LYS  13
   H    THR  14           HN   THR  14
   HA   THR  14           HA   THR  14
   HB   THR  14           HB   THR  14
   HG1  THR  14           HG1  THR  14
  1HG2  THR  14          HG23  THR  14
  2HG2  THR  14          HG22  THR  14
  3HG2  THR  14          HG21  THR  14
   H    LYS  15           HN   LYS  15
   HA   LYS  15           HA   LYS  15
  1HB   LYS  15           HB2  LYS  15
  2HB   LYS  15           HB1  LYS  15
  1HG   LYS  15           HG2  LYS  15
  2HG   LYS  15           HG1  LYS  15
  1HD   LYS  15           HD2  LYS  15
  2HD   LYS  15           HD1  LYS  15
  1HE   LYS  15           HE2  LYS  15
  2HE   LYS  15           HE1  LYS  15
  1HZ   LYS  15           HZ2  LYS  15
  2HZ   LYS  15           HZ1  LYS  15
  3HZ   LYS  15           HZ3  LYS  15
   H    GLY  16           HN   GLY  16
  1HA   GLY  16           HA2  GLY  16
  2HA   GLY  16           HA1  GLY  16
   H    ASN  17           HN   ASN  17
   HA   ASN  17           HA   ASN  17
  1HB   ASN  17           HB2  ASN  17
  2HB   ASN  17           HB1  ASN  17
  1HD2  ASN  17          HD22  ASN  17
  2HD2  ASN  17          HD21  ASN  17
   H    LEU  18           HN   LEU  18
   HA   LEU  18           HA   LEU  18
  1HB   LEU  18           HB2  LEU  18
  2HB   LEU  18           HB1  LEU  18
   HG   LEU  18           HG   LEU  18
  1HD1  LEU  18          HD13  LEU  18
  2HD1  LEU  18          HD12  LEU  18
  3HD1  LEU  18          HD11  LEU  18
  1HD2  LEU  18          HD23  LEU  18
  2HD2  LEU  18          HD22  LEU  18
  3HD2  LEU  18          HD21  LEU  18
   H    THR  19           HN   THR  19
   HA   THR  19           HA   THR  19
   HB   THR  19           HB   THR  19
   HG1  THR  19           HG1  THR  19
  1HG2  THR  19          HG21  THR  19
  2HG2  THR  19          HG23  THR  19
  3HG2  THR  19          HG22  THR  19
   H    LYS  20           HN   LYS  20
   HA   LYS  20           HA   LYS  20
  1HB   LYS  20           HB2  LYS  20
  2HB   LYS  20           HB1  LYS  20
  1HG   LYS  20           HG2  LYS  20
  2HG   LYS  20           HG1  LYS  20
  1HD   LYS  20           HD2  LYS  20
  2HD   LYS  20           HD1  LYS  20
  1HE   LYS  20           HE2  LYS  20
  2HE   LYS  20           HE1  LYS  20
  1HZ   LYS  20           HZ1  LYS  20
  2HZ   LYS  20           HZ2  LYS  20
  3HZ   LYS  20           HZ3  LYS  20
   H    HIS  21           HN   HIS  21
   HA   HIS  21           HA   HIS  21
  1HB   HIS  21           HB2  HIS  21
  2HB   HIS  21           HB1  HIS  21
   HD1  HIS  21           HD1  HIS  21
   HD2  HIS  21           HD2  HIS  21
   HE1  HIS  21           HE1  HIS  21
   H    MET  22           HN   MET  22
   HA   MET  22           HA   MET  22
  1HB   MET  22           HB2  MET  22
  2HB   MET  22           HB1  MET  22
  1HG   MET  22           HG2  MET  22
  2HG   MET  22           HG1  MET  22
  1HE   MET  22           HE3  MET  22
  2HE   MET  22           HE2  MET  22
  3HE   MET  22           HE1  MET  22
   H    LYS  23           HN   LYS  23
   HA   LYS  23           HA   LYS  23
  1HB   LYS  23           HB2  LYS  23
  2HB   LYS  23           HB1  LYS  23
  1HG   LYS  23           HG2  LYS  23
  2HG   LYS  23           HG1  LYS  23
  1HD   LYS  23           HD2  LYS  23
  2HD   LYS  23           HD1  LYS  23
  1HE   LYS  23           HE2  LYS  23
  2HE   LYS  23           HE1  LYS  23
  1HZ   LYS  23           HZ2  LYS  23
  2HZ   LYS  23           HZ1  LYS  23
  3HZ   LYS  23           HZ3  LYS  23
   H    SER  24           HN   SER  24
   HA   SER  24           HA   SER  24
  1HB   SER  24           HB2  SER  24
  2HB   SER  24           HB1  SER  24
   HG   SER  24           HG1  SER  24
   H    LYS  25           HN   LYS  25
   HA   LYS  25           HA   LYS  25
  1HB   LYS  25           HB2  LYS  25
  2HB   LYS  25           HB1  LYS  25
  1HG   LYS  25           HG2  LYS  25
  2HG   LYS  25           HG1  LYS  25
  1HD   LYS  25           HD2  LYS  25
  2HD   LYS  25           HD1  LYS  25
  1HE   LYS  25           HE2  LYS  25
  2HE   LYS  25           HE1  LYS  25
  1HZ   LYS  25           HZ1  LYS  25
  2HZ   LYS  25           HZ3  LYS  25
  3HZ   LYS  25           HZ2  LYS  25
   H    ALA  26           HN   ALA  26
   HA   ALA  26           HA   ALA  26
  1HB   ALA  26           HB2  ALA  26
  2HB   ALA  26           HB1  ALA  26
  3HB   ALA  26           HB3  ALA  26
   H    HIS  27           HN   HIS  27
   HA   HIS  27           HA   HIS  27
  1HB   HIS  27           HB2  HIS  27
  2HB   HIS  27           HB1  HIS  27
   HD1  HIS  27           HD1  HIS  27
   HD2  HIS  27           HD2  HIS  27
   HE1  HIS  27           HE1  HIS  27
   H    SER  28           HN   SER  28
   HA   SER  28           HA   SER  28
  1HB   SER  28           HB2  SER  28
  2HB   SER  28           HB1  SER  28
   HG   SER  28           HG1  SER  28
   H    LYS  29           HN   LYS  29
   HA   LYS  29           HA   LYS  29
  1HB   LYS  29           HB2  LYS  29
  2HB   LYS  29           HB1  LYS  29
  1HG   LYS  29           HG2  LYS  29
  2HG   LYS  29           HG1  LYS  29
REMARK   Experimental Restraints for NMR Structures of a Single 
REMARK   Zinc Finger from a Human Enhancer Binding Protein
REMARK   Authors: A.M. Gronenborn, G.M. Clore and J. Omichinski
REMARK            Laboratory of Chemical Physics, Bldg 2, Rm 123
REMARK            NIDDK, National Institutes of Health
REMARK            Bethesda, MD 20892
REMARK   References:
REMARK    J.G. Omichinski, G.M. Clore, E. Appella, K. Sakaguchi and
REMARK    A.M. Gronenborn (1990) High resolution three-dimensional
REMARK    structure of a single zinc finger from a human enhancer
REMARK    binding protein. Biochemistry, in press
REMARK
REMARK   The 3D structure of the zinc finger in solution by NMR is based on 
REMARK   487 approximate interproton distance restraints 
REMARK   and 63 torsion angle restraints derived from NOE and coupling
REMARK   constant measurements. A complete list of experimental
REMARK   restraints follows:
REMARK
REMARK
REMARK  A.  NOE Interproton distance restraints
REMARK   
REMARK   i,j,k are the distance, the -ve error and the positive error,
REMARK   respectively.  Thus 3.0 1.2 0.3 indicates that the square-well
REMARK   potential extends from 1.8 to 3.3 A.
REMARK
REMARK
!residue 1 intraresidue  arg
assign (resid    1 and  name HA   )(resid    1 and  name HB1  ) 3.0 1.2 0.3
assign (resid    1 and  name HA   )(resid    1 and  name HB2  ) 3.0 1.2 0.3
assign (resid    1 and  name HA   )(resid    1 and  name HG#  ) 3.0 1.8 0.9
assign (resid    1 and  name HA   )(resid    1 and  name HD#  ) 4.0 2.7 2.0
!residue 1 interesidue forward  arg
assign (resid    1 and  name HA   )(resid    2 and  name HD#  ) 3.0 2.2 1.3
assign (resid    1 and  name HB1  )(resid    2 and  name HD#  ) 4.0 2.7 2.0
assign (resid    1 and  name HB2  )(resid    2 and  name HD#  ) 4.0 2.7 2.0
assign (resid    1 and  name HG#  )(resid    2 and  name HD#  ) 4.0 3.7 3.0 
assign (resid    1 and  name HD#  )(resid    2 and  name HD#  ) 4.0 3.7 3.0 
assign (resid    1 and  name HB2  )(resid    4 and  name HD2  ) 4.0 1.7 1.0
assign (resid    1 and  name HB2  )(resid   11 and  name HB2  ) 4.0 1.7 1.0
assign (resid    1 and  name HB2  )(resid   11 and  name HB1  ) 4.0 1.5 1.0
assign (resid    1 and  name HD#  )(resid   11 and  name HB1  ) 4.0 2.7 2.0 
assign (resid    1 and  name HD#  )(resid   11 and  name HB2  ) 4.0 2.7 2.0 
!residue 2 intraresidue pro
assign (resid    2 and  name HA   )(resid    2 and  name HB1  ) 2.5 0.7 0.2
assign (resid    2 and  name HA   )(resid    2 and  name HB2  ) 3.0 1.2 0.3
!residue 2 interesidue forward pro
assign (resid    2 and  name HA   )(resid    3 and  name HN   ) 4.0 1.7 1.0
assign (resid    2 and  name HB2  )(resid    3 and  name HN   ) 4.0 1.7 1.0
assign (resid    2 and  name HG#  )(resid    3 and  name HN   ) 4.0 2.7 2.0 !
assign (resid    2 and  name HG#  )(resid    3 and  name HD2  ) 4.0 2.7 2.0 !
assign (residue    2 and  name HG#  )(resid    3 and  name HE2  ) 4.0 2.7 2.0 !
assign (residue    2 and  name HB2  )(resid    3 and  name HE2  ) 3.0 1.2 0.3
assign (residue    2 and  name HB2  )(resid    3 and  name HD#  ) 3.0 3.2 2.3
assign (residue    2 and  name HD1  )(resid    3 and  name HD2  ) 4.0 2.7 2.0 !
assign (residue    2 and  name HD1  )(resid    3 and  name HE2  ) 4.0 2.7 2.0 !
assign (residue    2 and  name HD#  )(resid    3 and  name HN   ) 4.0 2.7 2.0 !
assign (residue    2 and  name HA   )(resid    4 and  name HD2  ) 4.0 1.7 1.0
!residue 3 Tyr intraresidue
assign (resid    3 and  name HA   )(resid    3 and  name HN   ) 3.0 1.2 0.3
assign (resid    3 and  name HN   )(resid    3 and  name HD2  ) 3.0 1.2 0.3
assign (resid    3 and  name HN   )(resid    3 and  name HB1  ) 4.0 1.7 1.0
assign (resid    3 and  name HN   )(resid    3 and  name HB2  ) 2.5 0.7 0.2
assign (resid    3 and  name HA   )(resid    3 and  name HD1  ) 2.5 0.7 0.2
assign (resid    3 and  name HB1  )(resid    3 and  name HD1  ) 2.5 0.7 0.2
assign (resid    3 and  name HB2  )(resid    3 and  name HD2  ) 2.5 0.7 0.2
assign (resid    3 and  name HA   )(resid    3 and  name HB1  ) 2.5 0.7 0.2
assign (resid    3 and  name HA   )(resid    3 and  name HB2  ) 4.0 1.7 1.0
!residue 3 interesidue forward tyr
assign (resid    3 and  name HN   )(resid    4 and  name HN   ) 4.0 1.7 1.0
assign (resid    3 and  name HA   )(resid    4 and  name HN   ) 3.0 1.2 0.3
assign (resid    3 and  name HB2  )(resid    4 and  name HN   ) 4.0 1.7 1.0
assign (resid    3 and  name HB1  )(resid   12 and  name HN   ) 4.0 1.7 1.0
assign (resid    3 and  name HB2  )(resid   12 and  name HN   ) 3.0 1.2 0.3
assign (resid    3 and  name HD#  )(resid   14 and  name HA   ) 4.0 3.7 3.0 !
assign (resid    3 and  name HE#  )(resid   14 and  name HA   ) 3.0 3.2 2.3 !
assign (resid    3 and  name HD#  )(resid   14 and  name HB   ) 4.0 3.7 3.0 !
assign (resid    3 and  name HE#  )(resid   14 and  name HB   ) 3.0 3.2 2.3 !
assign (resid    3 and  name HN   )(resid   12 and  name HN   ) 4.0 1.7 1.0
assign (resid    3 and  name HD1  )(resid   15 and  name HN   ) 4.0 1.5 1.0
assign (resid    3 and  name HE1  )(resid   15 and  name HN   ) 4.0 1.7 1.0
assign (resid    3 and  name HD2  )(resid   13 and  name HA   ) 4.0 1.7 1.0
assign (resid    3 and  name HE2  )(resid   13 and  name HA   ) 4.0 1.5 1.0
assign (resid    3 and  name HA   )(resid   18 and  name HD2# ) 4.0 3.0 2.5
assign (resid    3 and  name HD1  )(resid   18 and  name HB2  ) 4.0 1.5 1.0
assign (resid    3 and  name HE1  )(resid   18 and  name HB2  ) 4.0 1.7 1.0
assign (resid    3 and  name HD1  )(resid   18 and  name HB1  ) 4.0 1.5 1.0
assign (resid    3 and  name HE1  )(resid   18 and  name HB1  ) 4.0 1.5 1.0
assign (resid    3 and  name HD1  )(resid   18 and  name HG   ) 4.0 1.5 1.0
assign (resid    3 and  name HE1  )(resid   18 and  name HG   ) 4.0 1.7 1.0
assign (resid    3 and  name HD1  )(resid   18 and  name HD2# ) 3.0 2.7 1.8
assign (resid    3 and  name HD1  )(resid   18 and  name HD1# ) 4.0 3.2 2.5
assign (resid    3 and  name HE1  )(resid   18 and  name HD1# ) 4.0 3.0 2.5
assign (resid    3 and  name HD1  )(resid   15 and  name HG#  ) 4.0 2.7 2.0
assign (resid    3 and  name HE1  )(resid   15 and  name HG#  ) 4.0 2.7 2.0
assign (resid    3 and  name HE1  )(resid   15 and  name HD#  ) 4.0 2.7 2.0
assign (resid    3 and  name HE1  )(resid   15 and  name HB1  ) 4.0 1.7 1.0
assign (resid    3 and  name HD1  )(resid   15 and  name HB2  ) 4.0 1.7 1.0
assign (resid    3 and  name HE1  )(resid   15 and  name HB2  ) 4.0 1.7 1.0
assign (resid    3 and  name HB1  )(resid   14 and  name HA   ) 4.0 1.7 1.0
assign (resid    3 and  name HB1  )(resid   12 and  name HB1  ) 4.0 1.7 1.0
assign (resid    3 and  name HB1  )(resid   12 and  name HB2  ) 4.0 1.7 1.0
assign (resid    3 and  name HB2  )(resid   12 and  name HB2  ) 4.0 1.7 1.0
!residue 4 his intraresidue
assign (resid    4 and  name HN   )(resid    4 and  name HA   ) 4.0 1.7 1.0
assign (resid    4 and  name HN   )(resid    4 and  name HD2  ) 3.0 1.2 0.3
assign (resid    4 and  name HN   )(resid    4 and  name HB1  ) 4.0 1.7 1.0
assign (resid    4 and  name HN   )(resid    4 and  name HB2  ) 2.5 0.7 0.2
assign (resid    4 and  name HB1  )(resid    4 and  name HD2  ) 4.0 1.7 1.0
assign (resid    4 and  name HB2  )(resid    4 and  name HD2  ) 3.0 1.2 0.3
assign (resid    4 and  name HB1  )(resid    4 and  name HE1  ) 4.0 1.5 1.0
assign (resid    4 and  name HA   )(resid    4 and  name HD2  ) 4.0 1.7 1.0
assign (resid    4 and  name HA   )(resid    4 and  name HB1  ) 3.0 1.2 0.3
assign (resid    4 and  name HA   )(resid    4 and  name HB2  ) 3.0 1.2 0.3
!residue 4 his interesidue
assign (resid    4 and  name HA   )(resid    5 and  name HN   ) 3.0 1.2 0.3
assign (resid    4 and  name HB1  )(resid    5 and  name HN   ) 3.0 1.2 0.3
assign (resid    4 and  name HB2  )(resid    5 and  name HN   ) 4.0 1.7 1.0
assign (resid    4 and  name HN   )(resid   18 and  name HD2# ) 4.0 3.2 2.5
assign (resid    4 and  name HA   )(resid   12 and  name HN   ) 4.0 1.7 1.0
assign (resid    4 and  name HE1  )(resid   11 and  name HB#  ) 3.0 2.2 1.3
assign (resid    4 and  name HE1  )(resid   11 and  name HA   ) 4.0 1.7 1.0
assign (resid    4 and  name HD2  )(resid   11 and  name HB#  ) 3.0 2.2 1.3
assign (resid    4 and  name HD2  )(resid   11 and  name HA   ) 4.0 1.7 1.0
assign (resid    4 and  name HA   )(resid   11 and  name HA   ) 3.0 1.2 0.3
assign (resid    4 and  name HA   )(resid   11 and  name HB1  ) 4.0 1.7 1.0
assign (resid    4 and  name HA   )(resid   11 and  name HB2  ) 4.0 1.7 1.0
assign (resid    4 and  name HB1  )(resid   11 and  name HA   ) 4.0 1.7 1.0
assign (resid    4 and  name HB2  )(resid   11 and  name HA   ) 4.0 1.7 1.0
!residue 5 cys intraresidue
assign (resid    5 and  name HN   )(resid    5 and  name HA   ) 3.0 1.2 0.3
assign (resid    5 and  name HN   )(resid    5 and  name HB1  ) 2.5 0.7 0.2
assign (resid    5 and  name HN   )(resid    5 and  name HB2  ) 2.5 0.7 0.2
assign (resid    5 and  name HA   )(resid    5 and  name HB1  ) 3.0 1.2 0.3
assign (resid    5 and  name HA   )(resid    5 and  name HB2  ) 2.5 0.7 0.2
!residue 5 cys interesidue forward
assign (resid    5 and  name HA   )(resid    6 and  name HN   ) 3.0 1.2 0.3
assign (resid    5 and  name HN   )(resid    6 and  name HN   ) 4.0 1.7 1.0
assign (resid    5 and  name HN   )(resid    9 and  name HD21 ) 3.0 2.2 1.3
assign (resid    5 and  name HA   )(resid   18 and  name HD2# ) 3.0 2.7 1.8
assign (resid    5 and  name HA   )(resid   18 and  name HD1# ) 4.0 3.2 2.5
assign (resid    5 and  name HB2  )(resid   10 and  name HN   ) 3.0 1.2 0.3
assign (resid    5 and  name HB1  )(resid   21 and  name HD2  ) 4.0 1.7 1.0
assign (resid    5 and  name HB2  )(resid   21 and  name HD2  ) 3.0 1.2 0.3
assign (resid    5 and  name HB1  )(resid    8 and  name HN   ) 3.0 1.2 0.3
assign (resid    5 and  name HN   )(resid   11 and  name HA   ) 3.0 1.2 0.3
assign (resid    5 and  name HB1  )(resid    9 and  name HN   ) 4.0 1.7 1.0
assign (resid    5 and  name HA   )(resid   21 and  name HD2  ) 3.0 1.2 0.3
assign (resid    5 and  name HB1  )(resid   10 and  name HB1  ) 4.0 1.5 1.0
assign (resid    5 and  name HB1  )(resid   18 and  name HD2# ) 4.0 3.2 2.5
assign (resid    5 and  name HB2  )(resid   18 and  name HD2# ) 4.0 3.2 2.5
assign (resid    5 and  name HB2  )(resid   18 and  name HD1# ) 4.0 3.0 2.5
!residue 6 Ser intraresidue
assign (resid    6 and  name HA   )(resid    6 and  name HN   ) 3.0 1.2 0.3
assign (resid    6 and  name HN   )(resid    6 and  name HB1  ) 4.0 1.7 1.0
assign (resid    6 and  name HN   )(resid    6 and  name HB2  ) 2.5 0.7 0.2
assign (resid    6 and  name HA   )(resid    6 and  name HB1  ) 2.5 0.7 0.2
assign (resid    6 and  name HA   )(resid    6 and  name HB2  ) 4.0 1.7 1.0
!residue 6 Ser interesidue forward
assign (resid    6 and  name HA   )(resid    7 and  name HN   ) 3.0 1.2 0.3
assign (resid    6 and  name HN   )(resid    7 and  name HN   ) 3.0 1.2 0.3
assign (resid    6 and  name HN   )(resid    8 and  name HN   ) 4.0 1.7 1.0
assign (resid    6 and  name HN   )(resid    7 and  name HD2  ) 4.0 1.7 1.0
assign (resid    6 and  name HB1  )(resid    7 and  name HD2  ) 4.0 1.7 1.0
assign (resid    6 and  name HB2  )(resid    7 and  name HD2  ) 4.0 1.7 1.0
assign (resid    6 and  name HB1  )(resid    7 and  name HE2  ) 4.0 1.7 1.0
assign (resid    6 and  name HB2  )(resid    7 and  name HE2  ) 4.0 1.7 1.0
assign (resid    6 and  name HA   )(resid    7 and  name HD2  ) 4.0 1.7 1.0
assign (resid    6 and  name HA   )(resid    7 and  name HE2  ) 4.0 1.7 1.0
assign (resid    6 and  name HB1  )(resid   28 and  name HB#  ) 3.0 2.2 1.3
assign (resid    6 and  name HB2  )(resid   28 and  name HB#  ) 4.0 2.7 2.0
assign (resid    6 and  name HN   )(resid   18 and  name HD2# ) 4.0 3.2 2.5
!residue 7 tyr intraresidue
assign (resid    7 and  name HN   )(resid    7 and  name HA   ) 3.0 1.2 0.3
assign (resid    7 and  name HN   )(resid    7 and  name HD2  ) 4.0 1.7 1.0
assign (resid    7 and  name HN   )(resid    7 and  name HB1  ) 4.0 1.7 1.0
assign (resid    7 and  name HN   )(resid    7 and  name HB2  ) 3.0 1.2 0.3
assign (resid    7 and  name HB1  )(resid    7 and  name HD1  ) 2.5 0.7 0.2
assign (resid    7 and  name HB2  )(resid    7 and  name HD2  ) 2.5 0.7 0.2
assign (resid    7 and  name HB1  )(resid    7 and  name HA   ) 2.5 0.7 0.2
assign (resid    7 and  name HB2  )(resid    7 and  name HA   ) 4.0 1.7 1.0
assign (resid    7 and  name HA   )(resid    7 and  name HD#  ) 3.0 3.2 2.3
!residue 7 tyr interesidue forward
assign (resid    7 and  name HA   )(resid    8 and  name HN   ) 3.0 1.2 0.3
assign (resid    7 and  name HN   )(resid    8 and  name HN   ) 3.0 1.2 0.3
assign (resid    7 and  name HD2  )(resid    8 and  name HN   ) 4.0 1.7 1.0
assign (resid    7 and  name HB1  )(resid    8 and  name HN   ) 2.5 0.7 0.2
assign (resid    7 and  name HB2  )(resid    8 and  name HN   ) 3.0 1.2 0.3
assign (resid    7 and  name HD2  )(resid   22 and  name HE#  ) 3.0 2.7 1.8
assign (resid    7 and  name HE2  )(resid   22 and  name HE#  ) 3.0 2.7 1.8
assign (resid    7 and  name HB1  )(resid   27 and  name HD2  ) 4.0 1.7 1.0
assign (resid    7 and  name HB2  )(resid   27 and  name HD2  ) 4.0 1.7 1.0
assign (resid    7 and  name HB1  )(resid   27 and  name HE1  ) 3.0 1.2 0.3
assign (resid    7 and  name HB2  )(resid   27 and  name HE1  ) 4.0 1.7 1.0
assign (resid    7 and  name HA   )(resid   27 and  name HE1  ) 4.0 1.7 1.0
!residue 8 cys intraresidue
assign (resid    8 and  name HN   )(resid    8 and  name HA   ) 3.0 1.2 0.3
assign (resid    8 and  name HN   )(resid    8 and  name HB1  ) 4.0 1.7 1.0
assign (resid    8 and  name HN   )(resid    8 and  name HB2  ) 3.0 1.2 0.3
assign (resid    8 and  name HA   )(resid    8 and  name HB1  ) 3.0 1.2 0.3
assign (resid    8 and  name HA   )(resid    8 and  name HB2  ) 4.0 1.7 1.0
!residue 8 cys interesidue forward
assign (resid    8 and  name HN   )(resid    9 and  name HN   ) 4.0 1.7 1.0
assign (resid    8 and  name HA   )(resid    9 and  name HN   ) 3.0 1.2 0.3
assign (resid    8 and  name HB1  )(resid    9 and  name HN   ) 2.5 0.7 0.2
assign (resid    8 and  name HB2  )(resid    9 and  name HN   ) 3.0 1.2 0.3
assign (resid    8 and  name HB2  )(resid   27 and  name HE1  ) 4.0 1.7 1.0
assign (resid    8 and  name HB1  )(resid   27 and  name HE1  ) 4.0 1.7 1.0
assign (resid    8 and  name HA   )(resid   27 and  name HE1  ) 4.0 1.7 1.0
!residue 9 asn intraresidue
assign (resid    9 and  name HN   )(resid    9 and  name HB1  ) 3.0 1.2 0.3
assign (resid    9 and  name HN   )(resid    9 and  name HB2  ) 4.0 1.7 1.0
assign (resid    9 and  name HB1  )(resid    9 and  name HD21 ) 3.0 2.2 1.3
assign (resid    9 and  name HB2  )(resid    9 and  name HD21 ) 3.0 2.2 1.3
assign (resid    9 and  name HN   )(resid    9 and  name HA   ) 3.0 1.2 0.3
assign (resid    9 and  name HA   )(resid    9 and  name HB2  ) 2.5 0.7 0.2
assign (resid    9 and  name HA   )(resid    9 and  name HB1  ) 3.0 1.2 0.3
!residue 9 asn interesidue
assign (resid    9 and  name HA   )(resid   10 and  name HN   ) 3.0 1.2 0.3
assign (resid    9 and  name HN   )(resid   10 and  name HN   ) 4.0 1.7 1.0
assign (resid    9 and  name HN   )(resid   10 and  name HD2  ) 4.0 1.7 1.0
assign (resid    9 and  name HB1  )(resid   10 and  name HN   ) 4.0 1.7 1.0
!residue 10 phe intraresidue
assign (resid   10 and  name HN   )(resid   10 and  name HA   ) 3.0 1.2 0.3
assign (resid   10 and  name HN   )(resid   10 and  name HB2  ) 3.0 1.2 0.3
assign (resid   10 and  name HN   )(resid   10 and  name HB1  ) 4.0 1.7 1.0
assign (resid   10 and  name HN   )(resid   10 and  name HD#  ) 3.0 3.2 2.3
assign (resid   10 and  name HB1  )(resid   10 and  name HD1  ) 4.0 1.7 1.0
assign (resid   10 and  name HB2  )(resid   10 and  name HD2  ) 3.0 1.2 0.3
assign (resid   10 and  name HA   )(resid   10 and  name HD#  ) 2.5 2.7 2.2
assign (resid   10 and  name HA   )(resid   10 and  name HB1  ) 4.0 1.7 1.0
assign (resid   10 and  name HA   )(resid   10 and  name HB2  ) 2.5 0.7 0.2
!residue 10 phe interesidue forward
assign (resid   10 and  name HN   )(resid   11 and  name HN   ) 4.0 1.5 1.0
assign (resid   10 and  name HA   )(resid   11 and  name HN   ) 2.5 0.7 0.2
assign (resid   10 and  name HB1  )(resid   11 and  name HN   ) 4.0 1.7 1.0
assign (resid   10 and  name HB2  )(resid   11 and  name HN   ) 4.0 1.7 1.0
assign (resid   10 and  name HB1  )(resid   12 and  name HZ   ) 2.5 0.7 0.2
assign (resid   10 and  name HB2  )(resid   12 and  name HZ   ) 4.0 1.7 1.0
assign (resid   10 and  name HA   )(resid   12 and  name HZ   ) 4.0 1.7 1.0
assign (resid   10 and  name HB2  )(resid   21 and  name HE1  ) 4.0 1.7 1.0
assign (resid   10 and  name HB1  )(resid   21 and  name HE1  ) 4.0 1.7 1.0
assign (resid   10 and  name HB1  )(resid   21 and  name HD2  ) 4.0 1.5 1.0
assign (resid   10 and  name HD1  )(resid   21 and  name HB2  ) 4.0 1.5 1.0
assign (resid   10 and  name HD1  )(resid   12 and  name HZ   ) 4.0 1.7 1.0
assign (resid   10 and  name HD1  )(resid   12 and  name HD#  ) 4.0 3.7 3.0
assign (resid   10 and  name HE1  )(resid   12 and  name HZ   ) 4.0 1.7 1.0
!residue 11 Ser intraresidue
assign (resid   11 and  name HN   )(resid   11 and  name HA   ) 3.0 1.2 0.3
assign (resid   11 and  name HN   )(resid   11 and  name HB1  ) 3.0 1.2 0.3
assign (resid   11 and  name HN   )(resid   11 and  name HB2  ) 4.0 1.7 1.0
assign (resid   11 and  name HA   )(resid   11 and  name HB1  ) 3.0 1.2 0.3
assign (resid   11 and  name HA   )(resid   11 and  name HB2  ) 2.5 0.7 0.2
!residue 11 Ser interesidue forward
assign (resid   11 and  name HN   )(resid   12 and  name HN   ) 4.0 1.7 1.0
assign (resid   11 and  name HA   )(resid   12 and  name HN   ) 2.5 0.7 0.2
assign (resid   11 and  name HB#  )(resid   12 and  name HN   ) 4.0 2.7 2.0 !
!residue 12 phe intraresidue
assign (resid   12 and  name HN   )(resid   12 and  name HD2  ) 3.0 1.2 0.3
assign (resid   12 and  name HN   )(resid   12 and  name HA   ) 3.0 1.2 0.3
assign (resid   12 and  name HN   )(resid   12 and  name HB1  ) 4.0 1.7 1.0
assign (resid   12 and  name HN   )(resid   12 and  name HB2  ) 2.5 0.7 0.2
assign (resid   12 and  name HA   )(resid   12 and  name HD#  ) 4.0 3.7 3.0
assign (resid   12 and  name HB1  )(resid   12 and  name HD1  ) 4.0 1.7 1.0
assign (resid   12 and  name HB2  )(resid   12 and  name HD2  ) 3.0 1.2 0.3
assign (resid   12 and  name HA   )(resid   12 and  name HB1  ) 2.5 0.7 0.2
assign (resid   12 and  name HA   )(resid   12 and  name HB2  ) 4.0 1.7 1.0
!residue 12 phe interesidue forward
assign (resid   12 and  name HN   )(resid   13 and  name HN   ) 4.0 1.7 1.0
assign (resid   12 and  name HA   )(resid   13 and  name HN   ) 2.5 0.7 0.2
assign (resid   12 and  name HB1  )(resid   13 and  name HN   ) 3.0 1.2 0.3
assign (resid   12 and  name HB2  )(resid   13 and  name HN   ) 4.0 1.7 1.0
assign (resid   12 and  name HA   )(resid   14 and  name HN   ) 4.0 1.7 1.0
assign (resid   12 and  name HB1  )(resid   14 and  name HN   ) 3.0 1.2 0.3
assign (resid   12 and  name HB2  )(resid   14 and  name HN   ) 4.0 1.7 1.0
assign (resid   12 and  name HB1  )(resid   17 and  name HB1  ) 3.0 1.2 0.3
assign (resid   12 and  name HB1  )(resid   17 and  name HB2  ) 3.0 1.2 0.3
assign (resid   12 and  name HB2  )(resid   17 and  name HB1  ) 4.0 1.7 1.0
assign (resid   12 and  name HB2  )(resid   17 and  name HB2  ) 4.0 1.7 1.0
assign (resid   12 and  name HB1  )(resid   18 and  name HB1  ) 4.0 1.5 1.0
assign (resid   12 and  name HB1  )(resid   18 and  name HB2  ) 4.0 1.5 1.0
assign (resid   12 and  name HB1  )(resid   18 and  name HD2# ) 4.0 3.0 2.5
assign (resid   12 and  name HB2  )(resid   18 and  name HB2  ) 4.0 1.7 1.0
assign (resid   12 and  name HB2  )(resid   18 and  name HA   ) 4.0 1.5 1.0
assign (resid   12 and  name HB2  )(resid   18 and  name HB1  ) 4.0 1.5 1.0
assign (resid   12 and  name HB2  )(resid   18 and  name HG   ) 4.0 1.5 1.0
assign (resid   12 and  name HB2  )(resid   18 and  name HD2# ) 4.0 3.0 2.5
assign (resid   12 and  name HE2  )(resid   18 and  name HD2# ) 3.0 2.7 1.8
assign (resid   12 and  name HZ   )(resid   18 and  name HA   ) 4.0 1.7 1.0
assign (resid   12 and  name HE#  )(resid   18 and  name HA   ) 4.0 3.7 3.0 !
assign (resid   12 and  name HZ   )(resid   18 and  name HD2# ) 4.0 3.2 2.5
assign (resid   12 and  name HD2  )(resid   18 and  name HD2# ) 3.0 2.7 1.8
assign (resid   12 and  name HZ   )(resid   21 and  name HB2  ) 4.0 1.7 1.0
assign (resid   12 and  name HZ   )(resid   21 and  name HB1  ) 3.0 1.2 0.3
!residue 13 lys intraresidue 
assign (resid   13 and  name HN   )(resid   13 and  name HA   ) 4.0 1.7 1.0
assign (resid   13 and  name HN   )(resid   13 and  name HB#  ) 2.5 1.3 0.8
assign (resid   13 and  name HN   )(resid   13 and  name HG#  ) 4.0 2.7 2.0
assign (resid   13 and  name HN   )(resid   13 and  name HD#  ) 4.0 2.7 2.0
assign (resid   13 and  name HA   )(resid   13 and  name HB#  ) 2.5 1.7 1.2
assign (resid   13 and  name HA   )(resid   13 and  name HG#  ) 2.5 1.3 0.8
assign (resid   13 and  name HA   )(resid   13 and  name HD#  ) 4.0 2.7 2.0
!residue 13 lys interesidue forward
assign (resid   13 and  name HN   )(resid   14 and  name HN   ) 2.5 0.7 0.2
assign (resid   13 and  name HA   )(resid   14 and  name HN   ) 4.0 1.7 1.0
assign (resid   13 and  name HB#  )(resid   14 and  name HN   ) 3.0 2.2 1.3 !
assign (resid   13 and  name HB#  )(resid   14 and  name HG2# ) 3.0 3.7 2.8 !
assign (resid   13 and  name HA   )(resid   14 and  name HG2# ) 4.0 3.2 2.5
!residue 14 thr intraresidue
assign (resid   14 and  name HN   )(resid   14 and  name HA   ) 2.5 0.7 0.2
assign (resid   14 and  name HN   )(resid   14 and  name HB   ) 4.0 1.7 1.0
assign (resid   14 and  name HN   )(resid   14 and  name HG2# ) 2.5 2.2 1.7
assign (resid   14 and  name HA   )(resid   14 and  name HB   ) 2.5 0.7 0.2
assign (resid   14 and  name HA   )(resid   14 and  name HG2# ) 2.5 1.8 1.3
!residue 14 thr interesidue forward
assign (resid   14 and  name HN   )(resid   15 and  name HN   ) 4.0 1.5 1.0
assign (resid   14 and  name HA   )(residue   15 and  name HN   ) 2.5 0.7 0.2
assign (resid   14 and  name HB   )(resid   15 and  name HN   ) 2.5 0.7 0.2
assign (resid   14 and  name HG2# )(resid   15 and  name HN   ) 3.0 2.7 1.8 !
assign (resid   14 and  name HA   )(resid   16 and  name HN   ) 4.0 1.7 1.0
assign (resid   14 and  name HB   )(resid   16 and  name HN   ) 2.5 0.7 0.2
assign (resid   14 and  name HG2# )(resid   16 and  name HN   ) 4.0 3.2 2.5 !
assign (resid   14 and  name HG2# )(resid   17 and  name HD21 ) 4.0 4.2 3.5 !
assign (resid   14 and  name HG2# )(resid   17 and  name HD22 ) 4.0 4.0 3.5 !
assign (resid   14 and  name HG2# )(resid   17 and  name HN   ) 4.0 3.2 2.5 !
assign (resid   14 and  name HA   )(resid   17 and  name HN   ) 4.0 1.7 1.0
assign (resid   14 and  name HB   )(resid   17 and  name HN   ) 4.0 1.7 1.0
assign (resid   14 and  name HB   )(resid   17 and  name HD21 ) 4.0 2.7 2.0
!residue 15 lys intraresidue
assign (resid   15 and  name HN   )(resid   15 and  name HA   ) 2.5 0.7 0.2
assign (resid   15 and  name HN   )(resid   15 and  name HB1  ) 2.5 0.7 0.2
assign (resid   15 and  name HN   )(resid   15 and  name HB2  ) 2.5 0.7 0.2
assign (resid   15 and  name HN   )(resid   15 and  name HG#  ) 4.0 2.7 2.0
assign (resid   15 and  name HN   )(resid   15 and  name HD#  ) 4.0 2.7 2.0
assign (resid   15 and  name HA   )(resid   15 and  name HB1  ) 4.0 1.7 1.0
assign (resid   15 and  name HA   )(resid   15 and  name HB2  ) 2.5 0.7 0.2
assign (resid   15 and  name HA   )(resid   15 and  name HG#  ) 4.0 2.3 1.6
assign (resid   15 and  name HA   )(resid   15 and  name HD#  ) 4.0 2.7 2.0
!residue 15 lys interesidue forward
assign (resid   15 and  name HN   )(resid   16 and  name HN   ) 3.0 1.2 0.3
assign (resid   15 and  name HA   )(resid   16 and  name HN   ) 4.0 1.7 1.0
assign (resid   15 and  name HB1  )(resid   16 and  name HN   ) 3.0 1.2 0.3
assign (resid   15 and  name HB2  )(resid   16 and  name HN   ) 4.0 1.7 1.0
assign (resid   15 and  name HA   )(resid   17 and  name HN   ) 4.0 1.7 1.0
assign (resid   15 and  name HA   )(resid   18 and  name HN   ) 4.0 1.7 1.0
assign (resid   15 and  name HA   )(resid   18 and  name HB1  ) 2.5 0.7 0.2
assign (resid   15 and  name HA   )(resid   18 and  name HB2  ) 4.0 1.7 1.0
assign (resid   15 and  name HA   )(resid   18 and  name HG   ) 4.0 1.7 1.0
!residue 16 gly intraresidue
assign (resid   16 and  name HN   )(resid   16 and  name HA#  ) 2.5 1.3 0.8
!residue 16 gly interesidue forward
assign (resid   16 and  name HN   )(resid   17 and  name HN   ) 3.0 1.2 0.3
assign (resid   16 and  name HA#  )(resid   17 and  name HN   ) 4.0 2.7 2.0 !
assign (resid   16 and  name HA#  )(resid   18 and  name HN   ) 4.0 2.7 2.0 !
assign (resid   16 and  name HA#  )(resid   19 and  name HN   ) 4.0 2.7 2.0 !
assign (resid   16 and  name HA#  )(resid   19 and  name HB   ) 3.0 2.2 1.3 !
assign (resid   16 and  name HA#  )(resid   19 and  name HG2# ) 4.0 4.2 3.5 !
!residue 17 asn intraresidue
assign (resid   17 and  name HN   )(resid   17 and  name HD21 ) 4.0 2.7 2.0
assign (resid   17 and  name HN   )(resid   17 and  name HA   ) 2.5 0.7 0.2
assign (resid   17 and  name HN   )(resid   17 and  name HB2  ) 2.5 0.7 0.2
assign (resid   17 and  name HN   )(resid   17 and  name HB1  ) 4.0 1.7 1.0
assign (resid   17 and  name HA   )(resid   17 and  name HD21 ) 4.0 2.7 2.0
assign (resid   17 and  name HA   )(resid   17 and  name HD22 ) 4.0 2.7 2.0
assign (resid   17 and  name HB2  )(resid   17 and  name HD21 ) 3.0 2.2 1.3
assign (resid   17 and  name HB1  )(resid   17 and  name HD21 ) 3.0 2.2 1.3
assign (resid   17 and  name HA   )(resid   17 and  name HB2  ) 4.0 1.7 1.0
assign (resid   17 and  name HA   )(resid   17 and  name HB1  ) 2.5 0.7 0.2
!resid 17 asn interesidue forward
assign (resid   17 and  name HN   )(resid   18 and  name HN   ) 3.0 1.2 0.3
assign (resid   17 and  name HA   )(resid   18 and  name HN   ) 4.0 1.7 1.0
assign (resid   17 and  name HB2  )(resid   18 and  name HN   ) 3.0 1.2 0.3
assign (resid   17 and  name HB1  )(resid   18 and  name HN   ) 4.0 1.7 1.0
assign (resid   17 and  name HA   )(resid   19 and  name HN   ) 4.0 1.7 1.0
assign (resid   17 and  name HA   )(resid   20 and  name HN   ) 3.0 1.2 0.3
assign (resid   17 and  name HA   )(resid   20 and  name HB#  ) 3.0 2.2 1.3
assign (resid   17 and  name HA   )(resid   20 and  name HG#  ) 4.0 2.7 2.0
assign (resid   17 and  name HA   )(resid   20 and  name HD#  ) 4.0 2.7 2.0
!resid 18 leu intraresidue
assign (resid   18 and  name HN   )(resid   18 and  name HA   ) 3.0 1.2 0.3
assign (resid   18 and  name HN   )(resid   18 and  name HB1  ) 2.5 0.7 0.2
assign (resid   18 and  name HN   )(resid   18 and  name HB2  ) 2.5 0.7 0.2
assign (resid   18 and  name HN   )(resid   18 and  name HG   ) 4.0 1.7 1.0
assign (resid   18 and  name HN   )(resid   18 and  name HD2# ) 4.0 3.0 2.5
assign (resid   18 and  name HA   )(resid   18 and  name HB1  ) 4.0 1.7 1.0
assign (resid   18 and  name HA   )(resid   18 and  name HB2  ) 2.5 0.7 0.2
assign (resid   18 and  name HA   )(resid   18 and  name HG   ) 4.0 1.7 1.0
assign (resid   18 and  name HA   )(resid   18 and  name HD2# ) 3.0 2.7 1.8
assign (resid   18 and  name HA   )(resid   18 and  name HD1# ) 4.0 3.2 2.5
!resid 18 leu interesidue forward
assign (resid   18 and  name HN   )(resid   19 and  name HN   ) 3.0 1.2 0.3
assign (resid   18 and  name HA   )(resid   19 and  name HN   ) 4.0 1.7 1.0
assign (resid   18 and  name HB1  )(resid   19 and  name HN   ) 2.5 0.7 0.2
assign (resid   18 and  name HB2  )(resid   19 and  name HN   ) 4.0 1.7 1.0
assign (resid   18 and  name HG   )(residue   19 and  name HN   ) 4.0 1.7 1.0
assign (resid   18 and  name HD1# )(resid   19 and  name HN   ) 4.0 3.2 2.5 !
assign (resid   18 and  name HN   )(resid   20 and  name HN   ) 4.0 1.7 1.0
assign (resid   18 and  name HA   )(resid   21 and  name HN   ) 4.0 1.7 1.0
assign (resid   18 and  name HA   )(resid   21 and  name HD2  ) 4.0 1.7 1.0
assign (resid   18 and  name HD2# )(resid   21 and  name HD2  ) 3.0 2.7 1.8 !
assign (resid   18 and  name HA   )(resid   21 and  name HB2  ) 4.0 1.7 1.0
assign (resid   18 and  name HA   )(resid   21 and  name HB1  ) 4.0 1.7 1.0
assign (resid   18 and  name HD2# )(resid   21 and  name HB2  ) 4.0 3.2 2.5 !
assign (resid   18 and  name HD1# )(resid   21 and  name HB1  ) 4.0 3.2 2.5 !
assign (resid   18 and  name HD2# )(resid   21 and  name HB1  ) 3.0 2.7 1.8 !
assign (resid   18 and  name HD2# )(resid   21 and  name HN   ) 4.0 3.0 2.5 !
assign (resid   18 and  name HA   )(resid   22 and  name HN   ) 4.0 1.5 1.0
assign (resid   18 and  name HD1# )(resid   22 and  name HN   ) 4.0 3.0 2.5 !
assign (resid   18 and  name HD2# )(resid   22 and  name HN   ) 4.0 3.0 2.5 !
assign (resid   18 and  name HD1# )(resid   22 and  name HG#  ) 3.0 3.7 2.8 !
!residue 19 thr intraresidue
assign (resid   19 and  name HN   )(resid   19 and  name HA   ) 3.0 1.2 0.3
assign (resid   19 and  name HN   )(resid   19 and  name HB   ) 2.5 0.7 0.2
assign (resid   19 and  name HN   )(resid   19 and  name HG2# ) 3.0 2.7 1.8
assign (resid   19 and  name HA   )(resid   19 and  name HB   ) 3.0 1.2 0.3
assign (resid   19 and  name HA   )(resid   19 and  name HG2# ) 2.5 1.8 1.3
!residue 19 thr interesidue forward
assign (resid   19 and  name HN   )(resid   20 and  name HN   ) 2.5 0.7 0.2
assign (resid   19 and  name HA   )(resid   20 and  name HN   ) 4.0 1.7 1.0
assign (resid   19 and  name HB   )(resid   20 and  name HN   ) 2.5 0.7 0.2
assign (resid   19 and  name HG2# )(resid   20 and  name HN   ) 4.0 3.2 2.5 !
assign (resid   19 and  name HN   )(resid   21 and  name HN   ) 4.0 1.7 1.0
assign (resid   19 and  name HA   )(resid   21 and  name HN   ) 4.0 1.7 1.0
assign (resid   19 and  name HA   )(resid   22 and  name HE#  ) 4.0 3.2 2.5
assign (resid   19 and  name HA   )(resid   22 and  name HB1  ) 4.0 1.7 1.0
assign (resid   19 and  name HA   )(resid   22 and  name HB2  ) 3.0 1.2 0.3
assign (resid   19 and  name HA   )(resid   22 and  name HG#  ) 4.0 2.7 2.0
assign (resid   19 and  name HG2# )(resid   22 and  name HB1  ) 4.0 3.2 2.5 !
assign (resid   19 and  name HG2# )(resid   22 and  name HB2  ) 4.0 3.2 2.5 !
assign (resid   19 and  name HA   )(resid   22 and  name HN   ) 4.0 1.7 1.0
assign (resid   19 and  name HA   )(resid   23 and  name HN   ) 4.0 1.7 1.0
assign (resid   19 and  name HG2# )(resid   23 and  name HE#  ) 4.0 4.2 3.5 !
assign (resid   19 and  name HG2# )(resid   23 and  name HB#  ) 4.0 4.2 3.5 !
!residue 20 lys intraresidue
assign (resid   20 and  name HN   )(resid   20 and  name HA   ) 3.0 1.2 0.3
assign (resid   20 and  name HN   )(resid   20 and  name HB#  ) 2.5 1.3 0.8
assign (resid   20 and  name HN   )(resid   20 and  name HG#  ) 4.0 2.7 2.0
assign (resid   20 and  name HN   )(resid   20 and  name HD#  ) 4.0 2.7 2.0
assign (resid   20 and  name HA   )(resid   20 and  name HB#  ) 3.0 2.2 1.3
assign (resid   20 and  name HA   )(resid   20 and  name HG#  ) 3.0 1.8 0.9
assign (resid   20 and  name HA   )(resid   20 and  name HD#  ) 4.0 2.7 2.0
!residue 20 lys interesidue forward
assign (resid   20 and  name HN   )(resid   21 and  name HN   ) 2.5 0.7 0.2
assign (resid   20 and  name HA   )(resid   21 and  name HN   ) 4.0 1.7 1.0
assign (resid   20 and  name HN   )(resid   22 and  name HN   ) 4.0 1.5 1.0
assign (resid   20 and  name HA   )(resid   22 and  name HN   ) 4.0 1.7 1.0
assign (resid   20 and  name HA   )(resid   23 and  name HN   ) 4.0 1.7 1.0
assign (resid   20 and  name HA   )(resid   23 and  name HB#  ) 3.0 2.2 1.3
assign (resid   20 and  name HA   )(resid   23 and  name HG#  ) 3.0 2.2 1.3
assign (resid   20 and  name HA   )(resid   23 and  name HD#  ) 4.0 2.7 2.0
assign (resid   20 and  name HB#  )(resid   21 and  name HN   ) 3.0 2.2 1.3 !
!residue 21 his intraresidue
assign (resid   21 and  name HN   )(resid   21 and  name HA   ) 4.0 1.7 1.0
assign (resid   21 and  name HN   )(resid   21 and  name HB2  ) 2.5 0.7 0.2
assign (resid   21 and  name HN   )(resid   21 and  name HB1  ) 2.5 0.7 0.2
assign (resid   21 and  name HA   )(resid   21 and  name HD2  ) 4.0 1.7 1.0
assign (resid   21 and  name HB2  )(resid   21 and  name HD2  ) 4.0 1.7 1.0
assign (resid   21 and  name HB1  )(resid   21 and  name HD2  ) 3.0 1.2 0.3
assign (resid   21 and  name HA   )(resid   21 and  name HB2  ) 3.0 1.2 0.3
assign (resid   21 and  name HA   )(resid   21 and  name HB1  ) 2.5 0.7 0.2
!residue 21 his interesidue forward
assign (resid   21 and  name HN   )(resid   22 and  name HN   ) 2.5 0.7 0.2
assign (resid   21 and  name HD2  )(resid   22 and  name HN   ) 4.0 1.7 1.0
assign (resid   21 and  name HB2  )(resid   22 and  name HN   ) 3.0 1.2 0.3
assign (resid   21 and  name HB1  )(resid   22 and  name HN   ) 4.0 1.7 1.0
assign (resid   21 and  name HD2  )(resid   22 and  name HG#  ) 4.0 2.7 2.0
assign (resid   21 and  name HD2  )(resid   22 and  name HE#  ) 4.0 3.2 2.5
assign (resid   21 and  name HD2  )(resid   22 and  name HA   ) 4.0 1.7 1.0
assign (resid   21 and  name HA   )(resid   22 and  name HN   ) 4.0 1.7 1.0
assign (resid   21 and  name HN   )(resid   23 and  name HN   ) 4.0 1.5 1.0
assign (resid   21 and  name HA   )(resid   24 and  name HN   ) 4.0 1.7 1.0
assign (resid   21 and  name HA   )(resid   24 and  name HB#  ) 3.0 2.2 1.3
assign (resid   21 and  name HE1  )(resid   26 and  name HB#  ) 4.0 3.2 2.5
assign (resid   21 and  name HD2  )(resid   26 and  name HB#  ) 4.0 3.0 2.5
!residue 22 met intraresidue
assign (resid   22 and  name HN   )(resid   22 and  name HA   ) 3.0 1.2 0.3
assign (resid   22 and  name HN   )(resid   22 and  name HG#  ) 3.0 2.2 1.3
assign (resid   22 and  name HN   )(resid   22 and  name HB2  ) 2.5 0.7 0.2
assign (resid   22 and  name HN   )(resid   22 and  name HB1  ) 4.0 1.7 1.0
assign (resid   22 and  name HA   )(resid   22 and  name HG#  ) 4.0 2.3 1.6
assign (resid   22 and  name HA   )(resid   22 and  name HB2  ) 4.0 1.7 1.0
assign (resid   22 and  name HA   )(resid   22 and  name HB1  ) 2.5 0.7 0.2
assign (resid   22 and  name HA   )(resid   22 and  name HE#  ) 4.0 3.2 2.5
!residue 22 met interesidue forward
assign (resid   22 and  name HN   )(resid   23 and  name HN   ) 2.5 0.7 0.2
assign (resid   22 and  name HA   )(resid   23 and  name HN   ) 4.0 1.7 1.0
assign (resid   22 and  name HB2  )(resid   23 and  name HN   ) 3.0 1.2 0.3
assign (resid   22 and  name HB1  )(resid   23 and  name HN   ) 4.0 1.7 1.0
assign (resid   22 and  name HA   )(resid   24 and  name HN   ) 4.0 1.7 1.0
assign (resid   22 and  name HA   )(resid   26 and  name HB#  ) 4.0 3.2 2.5
assign (resid   22 and  name HA   )(resid   27 and  name HD2  ) 4.0 1.7 1.0
assign (resid   22 and  name HE#  )(resid   27 and  name HD2  ) 3.0 2.7 1.8 !
assign (resid   22 and  name HE#  )(resid   27 and  name HE1  ) 4.0 3.2 2.5 !
!residue 23 lys intraresidue
assign (resid   23 and  name HN   )(resid   23 and  name HA   ) 3.0 1.2 0.3
assign (resid   23 and  name HN   )(resid   23 and  name HB#  ) 2.5 1.3 0.8
assign (resid   23 and  name HN   )(resid   23 and  name HG#  ) 4.0 2.7 2.0
assign (resid   23 and  name HN   )(resid   23 and  name HD#  ) 4.0 2.7 2.0
assign (resid   23 and  name HA   )(resid   23 and  name HB#  ) 2.5 1.7 1.2
assign (resid   23 and  name HA   )(resid   23 and  name HG#  ) 3.0 1.8 0.9
assign (resid   23 and  name HA   )(resid   23 and  name HD#  ) 4.0 2.7 2.0
!residue 23 lys interesidue forward
assign (resid   23 and  name HN   )(resid   24 and  name HN   ) 3.0 1.2 0.3
assign (resid   23 and  name HB#  )(resid   24 and  name HN   ) 4.0 2.7 2.0 !
assign (resid   23 and  name HA   )(resid   24 and  name HN   ) 4.0 1.7 1.0
!residue 24 ser intraresidue
assign (resid   24 and  name HN   )(resid   24 and  name HA   ) 3.0 1.2 0.3
assign (resid   24 and  name HN   )(resid   24 and  name HB#  ) 4.0 2.3 1.6
assign (resid   24 and  name HA   )(resid   24 and  name HB#  ) 2.5 1.7 1.2
!residue 24 ser interesidue forward
assign (resid   24 and  name HN   )(resid   25 and  name HN   ) 4.0 1.7 1.0
assign (resid   24 and  name HB#  )(resid   25 and  name HN   ) 3.0 2.2 1.3 !
assign (resid   24 and  name HA   )(resid   25 and  name HN   ) 3.0 1.2 0.3
assign (resid   24 and  name HN   )(resid   26 and  name HN   ) 4.0 1.7 1.0
!residue 25 lys intraresidue
assign (resid   25 and  name HN   )(resid   25 and  name HA   ) 3.0 1.2 0.3
assign (resid   25 and  name HN   )(resid   25 and  name HB#  ) 2.5 1.3 0.8
assign (resid   25 and  name HN   )(resid   25 and  name HG#  ) 4.0 2.7 2.0
assign (resid   25 and  name HN   )(resid   25 and  name HD#  ) 4.0 2.7 2.0
assign (resid   25 and  name HA   )(resid   25 and  name HB#  ) 4.0 2.7 2.0
assign (resid   25 and  name HA   )(resid   25 and  name HG#  ) 3.0 1.8 0.9
assign (resid   25 and  name HA   )(resid   25 and  name HD#  ) 3.0 2.2 1.3
!residue 25 lys interesidue forward
assign (resid   25 and  name HN   )(resid   26 and  name HN   ) 4.0 1.7 1.0
assign (resid   25 and  name HA   )(resid   26 and  name HN   ) 3.0 1.2 0.3
assign (resid   25 and  name HA   )(resid   27 and  name HN   ) 4.0 1.7 1.0
assign (resid   25 and  name HA   )(resid   28 and  name HN   ) 4.0 1.7 1.0
!residue 26 ala intraresidue
assign (resid   26 and  name HN   )(resid   26 and  name HA   ) 3.0 1.2 0.3
assign (resid   26 and  name HN   )(resid   26 and  name HB#  ) 3.0 2.3 1.4
!residue 26 ala interesidue forward
assign (resid   26 and  name HN   )(resid   27 and  name HN   ) 4.0 1.7 1.0
assign (resid   26 and  name HA   )(resid   27 and  name HN   ) 4.0 1.7 1.0
assign (resid   26 and  name HB#  )(resid   27 and  name HN   ) 4.0 3.2 2.5 !
assign (resid   26 and  name HB#  )(resid   27 and  name HD2  ) 3.0 2.7 1.8 !
assign (resid   26 and  name HB#  )(resid   27 and  name HE1  ) 4.0 3.2 2.5 !
!residue 27 his intraresidue
assign (resid   27 and  name HN   )(resid   27 and  name HA   ) 4.0 1.7 1.0
assign (resid   27 and  name HN   )(resid   27 and  name HB#  ) 3.0 1.8 0.9
assign (resid   27 and  name HA   )(resid   27 and  name HB#  ) 3.0 2.2 1.3
assign (resid   27 and  name HB#  )(resid   27 and  name HD2  ) 4.0 2.7 2.0 !
assign (resid   27 and  name HA   )(resid   27 and  name HD2  ) 4.0 1.7 1.0
!residue 27 his interesidue forward
assign (resid   27 and  name HN   )(resid   28 and  name HN   ) 3.0 1.2 0.3
assign (resid   27 and  name HA   )(resid   28 and  name HN   ) 4.0 1.7 1.0
!residue 28 ser intraresidue
assign (resid   28 and  name HN   )(resid   28 and  name HA   ) 4.0 1.7 1.0
assign (resid   28 and  name HN   )(resid   28 and  name HB#  ) 2.5 1.3 0.8
assign (resid   28 and  name HA   )(resid   28 and  name HB#  ) 2.5 1.7 1.2
!residue 28 ser interesidue forward
assign (resid   28 and  name HN   )(resid   29 and  name HN   ) 3.0 1.2 0.3
assign (resid   28 and  name HB#  )(resid   29 and  name HN   ) 3.0 2.2 1.3 !
assign (resid   28 and  name HA   )(resid   29 and  name HN   ) 3.0 1.2 0.3
assign (resid   28 and  name HA   )(resid   30 and  name HN   ) 4.0 1.7 1.0
!residue 29 lys intraresidue
assign (resid   29 and  name HN   )(resid   29 and  name HA   ) 4.0 1.7 1.0
assign (resid   29 and  name HN   )(resid   29 and  name HB#  ) 2.5 1.3 0.8
assign (resid   29 and  name HN   )(resid   29 and  name HG#  ) 4.0 2.7 2.0
assign (resid   29 and  name HA   )(resid   29 and  name HB#  ) 2.5 1.7 1.2
assign (resid   29 and  name HA   )(resid   29 and  name HG#  ) 3.0 1.8 0.9
assign (resid   29 and  name HA   )(resid   29 and  name HD#  ) 3.0 2.2 1.3
!residue 29 lys interesidue forward
assign (resid   29 and  name HN   )(resid   30 and  name HN   ) 3.0 1.2 0.3
assign (resid   29 and  name HA   )(resid   30 and  name HN   ) 3.0 1.2 0.3
assign (resid   29 and  name HB#  )(resid   30 and  name HN   ) 3.0 2.2 1.3 !
!residue 30 lys intraresidue
assign (resid   30 and  name HN   )(resid   30 and  name HA   ) 2.5 0.7 0.2
assign (resid   30 and  name HN   )(resid   30 and  name HB#  ) 2.5 1.3 0.8
assign (resid   30 and  name HN   )(resid   30 and  name HG#  ) 4.0 2.7 2.0
assign (resid   30 and  name HN   )(resid   30 and  name HD#  ) 4.0 2.7 2.0
assign (resid   30 and  name HA   )(resid   30 and  name HB#  ) 2.5 1.7 1.2
assign (resid   30 and  name HA   )(resid   30 and  name HG#  ) 3.0 1.8 0.9
assign (resid   30 and  name HA   )(resid   30 and  name HD#  ) 4.0 2.7 2.0
REMARK
REMARK
REMARK
REMARK
REMARK B. NMR dihedral angle restraints
REMARK
REMARK  i,j,k,l are the scale factor, the mid-point angle, the angle half-width
REMARK  and the exponent, respectively. i.e. -55.0 +/-30 indicates that the
REMARK  square-well torsion angle potential extends fom -25 to -85 degrees.
REMARK
!!Phi restraints minimum deviation = 30 degrees
  !! 2 pro
assign (resid 1 and name c )   (resid  2 and name n)
       (resid 2 and name ca)   (resid  2 and name c)  1.0 -55.0 30.0 2
  !! 3 tyr
assign (resid 2 and name c )   (resid  3 and name n)
       (resid 3 and name ca)   (resid  3 and name c)  1.0 -80.0 75.0 2
  !! 4 his
assign (resid 3 and name c )   (resid  4 and name n)
       (resid 4 and name ca)   (resid  4 and name c)  1.0 -110.0 45.0 2
  !! 5 cys
assign (resid 4 and name c )   (resid  5 and name n)
       (resid 5 and name ca)   (resid  5 and name c)  1.0 -45.0 40.0 2
  !! 6 ser
assign (resid 5 and name c )   (resid  6 and name n)
       (resid 6 and name ca)   (resid  6 and name c)  1.0 -75.0 30.0 2
  !! 7 tyr
assign (resid 6 and name c )   (resid  7 and name n)
       (resid 7 and name ca)   (resid  7 and name c)  1.0 -105.0 70.0 2
  !! 8 cys
assign (resid 7  and name c )   (resid  8 and name n)
       (resid 8  and name ca)   (resid  8 and name c)  1.0 -105.0 70.0 2
  !! 9 asn
assign (resid 8  and name c )   (resid  9 and name n)
       (resid 9  and name ca)   (resid  9 and name c)  1.0 -105.0 70.0 2
  !! 10 phe
assign (resid 9  and name c )   (resid  10 and name n)
       (resid 10 and name ca)   (resid  10 and name c) 1.0 -110.0 65.0 2
  !! 11 ser
assign (resid 10 and name c )   (resid  11 and name n)
       (resid 11 and name ca)   (resid  11 and name c) 1.0  -115.0 60.0 2 
  !! 12 phe
assign (resid 11 and name c )   (resid  12 and name n)
       (resid 12 and name ca)   (resid  12 and name c) 1.0  -110.0 55.0 2
  !! 13 lys
assign (resid 12 and name c )   (resid  13 and name n)
       (resid 13 and name ca)   (resid  13 and name c) 1.0  -90.0 40.0 2
  !! 14 thr
assign (resid 13 and name c )   (resid  14 and name n)
       (resid 14 and name ca)   (resid  14 and name c) 1.0  -115.0 60.0 2
  !! 15 lys
assign (resid 14 and name c )   (resid  15 and name n)
       (resid 15 and name ca)   (resid  15 and name c) 1.0  -95.0 30.0 2
  !! 17 asn
assign (resid 16 and name c )   (resid  17 and name n)
       (resid 17 and name ca)   (resid  17 and name c) 1.0  -55.0 30.0 2
  !! 18 leu
assign (resid 17 and name c )   (resid  18 and name n)
       (resid 18 and name ca)   (resid  18 and name c) 1.0  -75.0 30.0 2
  !! 19 thr
assign (resid 18 and name c )   (resid  19 and name n)
       (resid 19 and name ca)   (resid  19 and name c) 1.0  -75.0 30.0 2
  !! 20 lys
assign (resid 19 and name c )   (resid  20 and name n)
       (resid 20 and name ca)   (resid  20 and name c) 1.0  -110.0 65.0 2
  !! 21 his
assign (resid 20 and name c )   (resid  21 and name n)
       (resid 21 and name ca)   (resid  21 and name c) 1.0  -75.0 30.0 2
  !! 22 met
assign (resid 21 and name c )   (resid  22 and name n)
       (resid 22 and name ca)   (resid  22 and name c) 1.0  -115.0 65.0 2
  !! 23 lys
assign (resid 22 and name c )   (resid  23 and name n)
       (resid 23 and name ca)   (resid  23 and name c) 1.0  -75.0 30.0 2
  !! 24 ser
assign (resid 23 and name c )   (resid  24 and name n)
       (resid 24 and name ca)   (resid  24 and name c) 1.0  -75.0 30.0 2
  !! 25 lys
assign (resid 24 and name c )   (resid  25 and name n)
       (resid 25 and name ca)   (resid  25 and name c) 1.0  -100.0 70.0 2
  !! 26 ala
assign (resid 25 and name c )   (resid  26 and name n)
       (resid 26 and name ca)   (resid  26 and name c) 1.0  -100.0 70.0 2
  !! 27 his
assign (resid 26 and name c )   (resid  27 and name n)
       (resid 27 and name ca)   (resid  27 and name c) 1.0 -115.0 60.0 2
  !! 28 ser
assign (resid 27 and name c )   (resid  28 and name n)
       (resid 28 and name ca)   (resid  28 and name c) 1.0  -120.0 50.0 2
  !! 29 lys
assign (resid 28 and name c )   (resid  29 and name n)
       (resid 29 and name ca)   (resid  29 and name c) 1.0 -115.0 30.0 2
  !! 30 lys
assign (resid 29 and name c )   (resid  30 and name n)
       (resid 30 and name ca)   (resid  30 and name c) 1.0  -135.0 30.0 2

!! Psi restraints minimum deviation = 50 degrees

!! 4 his
assign  (resid  4 and name n)    (resid  4 and name ca)
        (resid  4 and name c)    (resid  5 and name  n) 1.0  160.0 75.0 2
!! 5 cys
assign  (resid  5 and name n)    (resid  5 and name ca)
        (resid  5 and name c)    (resid  6 and name  n) 1.0  132.0 140.0 2
!! 6 ser
assign  (resid  6 and name n)    (resid  6 and name ca)
        (resid  6 and name c)    (resid  7 and name  n) 1.0  -5.0 60.0 2
!! 7 tyr
assign  (resid  7 and name n)    (resid  7 and name ca)
        (resid  7 and name c)    (resid  8 and name  n) 1.0  0.0 105.0 2
!! 11 ser
assign  (resid  11 and name n)    (resid  11 and name ca)
        (resid  11 and name c)    (resid  12 and name  n) 1.0 110.0 95.0 2
!! 12 phe
assign  (resid  12 and name n)    (resid  12 and name ca)
        (resid  12 and name c)    (resid  13 and name  n) 1.0 155.0 90.0 2
!! 13 lys
assign  (resid  13 and name n)    (resid  13 and name ca)
        (resid  13 and name c)    (resid  14 and name  n) 1.0 -25.0 50.0 2
!! 15 lys
assign  (resid  15 and name n)    (resid  15 and name ca)
        (resid  15 and name c)    (resid  16 and name  n) 1.0 -60.0 50.0 2
!! 17 asn
assign  (resid  17 and name n)    (resid  17 and name ca)
        (resid  17 and name c)    (resid  18 and name  n) 1.0  -25.0 50.0 2
!! 18 leu
assign  (resid  18 and name n)    (resid  18 and name ca)
        (resid  18 and name c)    (resid  19 and name  n) 1.0 -60.0 50.0 2
!! 19 thr
assign  (resid  19 and name n)    (resid  19 and name ca)
        (resid  19 and name c)    (resid  20 and name  n) 1.0 -15.0 80.0 2
!! 21 his
assign  (resid  21 and name n)    (resid  21 and name ca)
        (resid  21 and name c)    (resid  22 and name  n) 1.0 -40.0 50.0 2
!! 22 met
assign  (resid  22 and name n)    (resid  22 and name ca)
        (resid  22 and name c)    (resid  23 and name  n) 1.0 -20.0 45.0 2
!! 23 lys
assign  (resid  23 and name n)    (resid  23 and name ca)
        (resid  23 and name c)    (resid  24 and name  n) 1.0 -10.0 90.0 2

!! Chi angle restraints: minimum deviation = 20 degrees
!! 1 arg
assign (resid 1 and name n )  (resid 1 and name ca)
       (resid 1 and name cb)  (resid 1 and name cg)     1.0  -75.0 30.0 2 
!! 2 pro
assign (resid 2 and name n )  (resid 2 and name ca)
       (resid 2 and name cb)  (resid 2 and name cg)     1.0   0.0 20.0 2
!!3 tyr
assign (resid 3 and name n )  (resid 3 and name ca)
       (resid 3 and name cb)  (resid 3 and name cg)     1.0   -65.0  20.0 2
!! 4 his
assign (resid 4 and name n )  (resid 4 and name ca)
       (resid 4 and name cb)  (resid 4 and name cg)     1.0   -65.0  20.0 2
!! 5 cys
assign (resid 5 and name n )  (resid 5 and name ca)
       (resid 5 and name cb)  (resid 5 and name sg)     1.0   180.0 20.0 2
!! 6 ser
assign (resid 6 and name n )  (resid 6 and name ca)
       (resid 6 and name cb)  (resid 6 and name og)     1.0   -60.0  20.0 2
!! 7 tyr
assign (resid 7 and name n )  (resid 7 and name ca)
       (resid 7 and name cb)  (resid 7 and name cg)     1.0   -60.0  30.0 2
!! 8 cys
assign (resid 8 and name n )  (resid 8 and name ca)
       (resid 8 and name cb)  (resid 8 and name sg)     1.0   -65.0 30.0 2
!! 9 asn
assign (resid 9 and name n )  (resid 9 and name ca)
       (resid 9 and name cb)  (resid 9 and name cg)     1.0   180.0 30.0 2
!! 10 phe
assign (resid 10 and name n )  (resid 10 and name ca)
       (resid 10 and name cb)  (resid 10 and name cg)   1.0   180.0 30.0 2
!! 11 ser
assign (resid 11 and name n )  (resid 11 and name ca)
       (resid 11 and name cb)  (resid 11 and name og)     1.0   180.0 20.0 2
!! 12 phe
assign (resid 12 and name n )  (resid 12 and name ca)
       (resid 12 and name cb)  (resid 12 and name cg)    1.0  -60.0 20.0 2
  !! 13 lys
assign (resid 12 and name n )   (resid  13 and name ca)
       (resid 13 and name cb)   (resid  13 and name cg) 1.0  -180.0 25.0 2
!! 14 thr
assign (resid 14 and name n )  (resid 14 and name ca)
       (resid 14 and name cb)  (resid 14 and name og1)    1.0  60.0 30.0 2 
!! 15 lys
assign (resid 15 and name n )  (resid 15 and name ca)
       (resid 15 and name cb)  (resid 15 and name cg)    1.0  170.0 20.0 2 
!! 17 asn
assign (resid 17 and name n )  (resid 17 and name ca)
       (resid 17 and name cb)  (resid 17 and name cg)     1.0 -60.0 30.0 2
!! 18 leu
assign (resid 18 and name n )  (resid 18 and name ca)
       (resid 18 and name cb)  (resid 18 and name cg)     1.0  170.0 20.0 2 
!! 19 thr
assign (resid 19 and name n )  (resid 19 and name ca)
       (resid 19 and name cb)  (resid 19 and name og1)     1.0  -65.0 30.0 2 
!! 21 his
assign (resid 21 and name n )  (resid 21 and name ca)
       (resid 21 and name cb)  (resid 21 and name cg)     1.0  170.0 20.0 2 
!! 22 met
assign (resid 22 and name n )  (resid 22 and name ca)
       (resid 22 and name cb)  (resid 22 and name cg)     1.0  -55.0  20.0 2
!! 27 his
assign (resid 27 and name n )  (resid 27 and name ca)
       (resid 27 and name cb)  (resid 27 and name cg)     1.0  60.0 30.0 2