NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
615278 5n14 34094 cing 1-original 5 AMBER distance NOE simple


# Restraints file 3: CL112_RST.all
#========================================================
# CL112:AMBER, Inter proton distances or NOE restraints
#========================================================
#
# strong 1.8 - 2.5 A°
# Medium 2.5 - 3.5 A°
# Weak   3.5 - 6.5 A°
#
#
#  62  PRO  HA   63  PHE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  14,  18, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#  62  PRO  QPB  62  PRO  HA   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  11,  12,
 &end
#
#  62  PRO  QPD  62  PRO  HA   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=   5,   6,
 &end
#
#  62  PRO  QPG  62  PRO  HA   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  14, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=   8,   9,
 &end
#
#  64  ALA  HA   63  PHE  QD   4.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr2=  26,  34,
 &end
#
#  64  ALA  HA   64  ALA  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  38, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  64  ALA  HA   72  PHE  HN   2.50  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  40, 152, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  64  ALA  QB   64  ALA  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  38, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  42,  43,  44,
 &end
#
#  64  ALA  QB   65  CYS  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  48, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1=  42,  43,  44,
 &end
#
#  64  ALA  QB   72  PHE  HN   2.50  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=  42,  43,  44,
 &end
#
#  65  CYS  HA   65  CYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  48, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  65  CYS  HA   66  ASP  HN   2.50  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  50,  58, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  65  CYS  HN   64  ALA  QB   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr2=  42,  43,  44,
 &end
#
#  65  CYS  QPB  65  CYS  HA   1.80  2.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 2.02, r4= 2.52,
 igr1=  53,  52,
 &end
#
#  65  CYS  QPB  65  CYS  HA   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  50, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  53,  52,
 &end
#
#  65  CYS  QPB  65  CYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  48, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  53,  52,
 &end
#
#  65  CYS  QPB  68  CYS  HA   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  53,  52,
 &end
#
#  65  CYS  QPB  72  PHE  QD   4.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.67, r4= 6.17,
 igr1=  53,  52,
 igr2= 160, 168,
 &end
#
#  66  ASP  HA   66  ASP  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  58, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  66  ASP  HA   67  ILE  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  70, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  66  ASP  HA   69  GLY  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  99, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  66  ASP  QPB  66  ASP  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  62,  63,
 &end
#
#  66  ASP  QPB  67  ILE  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  70, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  62,  63,
 &end
#
#  66  OUD  HN   67  ILE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  70, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  67  ILE  HA   67  ILE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  70, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  67  ILE  HA   68  CYS  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  89, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  67  ILE  HB   67  ILE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  70, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  67  ILE  HB   68  CYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  89, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  67  ILE  HB   69  GLY  HN   4.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  99, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  67  ILE  HB   83  OUH  HND  2.50  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 391, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  67  ILE  HN   68  CYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  89, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  67  ILE  HN   69  GLY  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  99, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  67  ILE  QD1  83  OUH  HND  5.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  83,  84,  85,
 &end
#
#  67  ILE  QG   67  ILE  HN   2.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  70, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=  76,  77,  78,
 &end
#
#  67  ILE  QG   68  CYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  89, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1=  76,  77,  78,
 &end
#
#  67  ILE  QG   83  OUH  HND  5.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr1=  76,  77,  78,
 &end
#
#  67  ILE  QPG  67  ILE  HN   3.50  5.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  70, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  80,  81,
 &end
#
#  68  CYS  HA   68  CYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  89, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  68  CYS  HA   69  GLY  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  99, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  68  CYS  HA   70  ARG  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 106, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  68  CYS  HN   69  GLY  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  99, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  68  CYS  HN   70  ARG  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 106, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  68  CYS  QPB  68  CYS  HA   1.80  2.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 2.02, r4= 2.52,
 igr1=  94,  93,
 &end
#
#  68  CYS  QPB  68  CYS  HA   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  91, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  94,  93,
 &end
#
#  68  CYS  QPB  68  CYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  89, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  94,  93,
 &end
#
#  68  CYS  QPB  68  CYS  HN   2.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  89, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  94,  93,
 &end
#
#  68  CYS  QPB  69  GLY  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  99, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1=  94,  93,
 &end
#
#  68  CYS  QPB  70  ARG  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1=  94,  93,
 &end
#
#  69  GLY  QPA  68  CYS  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  89, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 101, 102,
 &end
#
#  69  GLY  QPA  69  GLY  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  99, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 101, 102,
 &end
#
#  69  GLY  QPA  70  ARG  HN   2.50  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 101, 102,
 &end
#
#  70  ARG  HA   70  ARG  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 106, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  70  ARG  QPB  70  ARG  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 110, 111,
 &end
#
#  70  ARG  QPG  70  ARG  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 106, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 113, 114,
 &end
#
#  71  LYS  HA   71  LYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 132, 130, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  71  LYS  QPB  71  LYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 134, 135,
 &end
#
#  71  LYS  QPG  71  LYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 130, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 137, 138,
 &end
#
#  72  PHE  HA   72  PHE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 154, 152, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  72  PHE  HA   72  PHE  QD   2.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr2= 160, 168,
 &end
#
#  72  PHE  HA   72  PHE  QE   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 162, 166,
 &end
#
#  72  PHE  HA   72  PHE  QE   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr2= 162, 166,
 &end
#
#  72  PHE  QPB  72  PHE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 152, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 156, 157,
 &end
#
#  72  PHE  QPB  72  PHE  QD   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.15, r4= 3.65,
 igr1= 156, 157,
 igr2= 160, 168,
 &end
#
#  72  PHE  QPB  72  PHE  QE   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 156, 157,
 igr2= 162, 166,
 &end
#
#  72  PHE  QPB  72  PHE  QE   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 156, 157,
 igr2= 162, 166,
 &end
#
#  72  PHE  QPB  75  SER  HN   4.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 5.05, r4= 5.55,
 igr1= 156, 157,
 &end
#
#  73  ALA  HA   73  ALA  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 172, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  73  ALA  HN   74  ARG  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 182, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  73  ALA  QB   73  ALA  HN   2.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 172, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 176, 177, 178,
 &end
#
#  74  ARG  HA   74  ARG  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 184, 182, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  74  ARG  QPB  74  ARG  HN   2.50  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 186, 187,
 &end
#
#  74  ARG  QPG  74  ARG  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 189, 190,
 &end
#
#  75  SER  HA   75  SER  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 206, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  75  SER  HA   76  OUD  HN   2.50  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 217, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  75  SER  HA   77  OUE  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 250, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  75  SER  HA   77  OUE  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 234, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  75  SER  QPB  75  SER  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 206, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 210, 211,
 &end
#
#  75  SER  QPB  76  OUD  HN   2.50  4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 210, 211,
 &end
#
#  76  OUD  HA   76  OUD  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 230, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  76  OUD  HA   76  OUD  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 217, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  76  OUD  HA   78  OUK  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 277, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  76  OUD  HA   78  OUK  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 254, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  76  OUD  HN   75  SER  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 206, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  76  OUD  QPA  76  OUD  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 227, 228,
 &end
#
#  76  OUD  QPA  76  OUD  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 227, 228,
 &end
#
#  76  OUD  QPA  78  OUK  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 227, 228,
 &end
#
#  76  OUD  QPB  76  OUD  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 221, 222,
 &end
#
#  76  OUD  QPB  76  OUD  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 217, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 221, 222,
 &end
#
#  77  OUE  HA   77  OUE  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 250, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  77  OUE  HA   77  OUE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 234, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  77  OUE  HA   79  OUR  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 306, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  77  OUE  HA   79  OUR  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 281, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  77  OUE  HN   76  OUD  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 230, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  77  OUE  QPA  77  OUE  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 247, 248,
 &end
#
#  77  OUE  QPA  77  OUE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 247, 248,
 &end
#
#  77  OUE  QPA  79  OUR  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 247, 248,
 &end
#
#  77  OUE  QPB  77  OUE  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 238, 239,
 &end
#
#  77  OUE  QPB  77  OUE  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 238, 239,
 &end
#
#  77  OUE  QPG  77  OUE  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 250, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 241, 242,
 &end
#
#  77  OUE  QPG  77  OUE  HN   2.50  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 241, 242,
 &end
#
#  78  OUK  HA   78  OUK  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 277, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  78  OUK  HA   78  OUK  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 254, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  78  OUK  HA   80  OUH  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 328, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  78  OUK  HA   80  OUH  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 310, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  78  OUK  HN   77  OUK  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 250, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  78  OUK  QPA  78  OUK  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 274, 275,
 &end
#
#  78  OUK  QPA  78  OUK  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 274, 275,
 &end
#
#  78  OUK  QPA  80  OUH  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 274, 275,
 &end
#
#  78  OUK  QPB  78  OUK  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 258, 259,
 &end
#
#  78  OUK  QPB  78  OUK  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 258, 259,
 &end
#
#  78  OUK  QPG  78  OUK  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 277, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 261, 262,
 &end
#
#  78  OUK  QPG  78  OUK  HN   2.50  4.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 254, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 261, 262,
 &end
#
#  79  OUR  HA   79  OUR  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 306, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  79  OUR  HA   79  OUR  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 281, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  79  OUR  HA   81  OUK  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 355, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  79  OUR  HA   81  OUK  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 332, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  79  OUR  HN   78  OUK  HN2  2.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 277, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  79  OUR  QPA  79  OUR  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 303, 304,
 &end
#
#  79  OUR  QPA  79  OUR  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 303, 304,
 &end
#
#  79  OUR  QPA  81  OUK  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 303, 304,
 &end
#
#  79  OUR  QPB  79  OUR  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 285, 286,
 &end
#
#  79  OUR  QPB  79  OUR  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 285, 286,
 &end
#
#  79  OUR  QPG  79  OUR  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 306, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 288, 289,
 &end
#
#  79  OUR  QPG  79  OUR  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 281, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 288, 289,
 &end
#
#  80  OUH  HA   80  OUH  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 328, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  80  OUH  HA   80  OUH  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 310, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  80  OUH  HA   82  OUI  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 379, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  80  OUH  HA   82  OUI  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 359, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  80  OUH  HN   79  OUR  HN2  2.50  4.50
 &rst
  ixpk= 0, nxpk= 0, iat= 310, 306, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  80  OUH  QPA  80  OUH  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 325, 326,
 &end
#
#  80  OUH  QPA  80  OUH  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 325, 326,
 &end
#
#  80  OUH  QPA  82  OUI  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 325, 326,
 &end
#
#  80  OUH  QPB  80  OUH  HA   1.80  2.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 312, r1= 1.30, r2= 1.80, r3= 2.02, r4= 2.52,
 igr1= 314, 315,
 &end
#
#  80  OUH  QPB  80  OUH  HE   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 322, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 314, 315,
 &end
#
#  80  OUH  QPB  80  OUH  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 328, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 314, 315,
 &end
#
#  80  OUH  QPB  80  OUH  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 310, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 314, 315,
 &end
#
#  80  OUH  QPB  80  OUH  HND  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 318, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 314, 315,
 &end
#
#  81  OUK  HA   81  OUK  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 355, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  81  OUK  HA   81  OUK  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 332, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  81  OUK  HA   83  OUH  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 401, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  81  OUK  HN   80  OUH  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 332, 328, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  81  OUK  QPA  81  OUK  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 352, 353,
 &end
#
#  81  OUK  QPA  81  OUK  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 352, 353,
 &end
#
#  81  OUK  QPB  81  OUK  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 336, 337,
 &end
#
#  81  OUK  QPB  81  OUK  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 336, 337,
 &end
#
#  81  OUK  QPG  81  OUK  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 355, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 339, 340,
 &end
#
#  81  OUK  QPG  81  OUK  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 332, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 339, 340,
 &end
#
#  82  OUI  HA   82  OUI  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 379, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  82  OUI  HA   82  OUI  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 359, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  82  OUI  HA   84  ARG  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 361, 405, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  82  OUI  HB   82  OUI  HN2  3.50  5.50
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 379, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  82  OUI  HB   82  OUI  HN   2.50  4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 363, 359, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  82  OUI  HN   81  OUK  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 359, 355, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  82  OUI  QG   82  OUI  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,
 igr1= 368, 369, 370,
 &end
#
#  82  OUI  QG   82  OUI  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,
 igr1= 368, 369, 370,
 &end
#
#  82  OUI  QPA  82  OUI  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 376, 377,
 &end
#
#  82  OUI  QPA  82  OUI  HN   2.50  3.50	
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 376, 377,
 &end
#
#  82  OUI  QPA  84  ARG  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 376, 377,
 &end
#
#  82  OUI  QPG  82  OUI  HN2  3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 379, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 365, 366,
 &end
#
#  82  OUI  QPG  82  OUI  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 359, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 365, 366,
 &end
#
#  83  OUH  HA   83  OUH  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 383, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  83  OUH  HN   82  OUI  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 379, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  83  OUH  QPA  83  OUH  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 398, 399,
 &end
#
#  83  OUH  QPB  83  OUH  HA   1.80  2.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 385, r1= 1.30, r2= 1.80, r3= 2.02, r4= 2.52,
 igr1= 387, 388,
 &end
#
#  83  OUH  QPB  83  OUH  HE   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 395, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 387, 388,
 &end
#
#  83  OUH  QPB  83  OUH  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 387, 388,
 &end
#
#  83  OUH  QPB  83  OUH  HND  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 391, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 387, 388,
 &end
#
#  84  ARG  HA   84  ARG  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 405, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  84  ARG  HN   67  ILE  QG   6.00  7.00
 &rst
  ixpk= 0, nxpk= 0, iat= 405,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  76,  77,  78,
 &end
#
#  84  ARG  HN   83  OUH  HN2  2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 405, 401, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  84  ARG  QPB  84  ARG  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 409, 410,
 &end
#
#  84  ARG  QPD  84  ARG  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 415, 416,
 &end
#
#  84  ARG  QPG  84  ARG  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 405, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 412, 413,
 &end
#
#  85  LYS  HA   85  LYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 429, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  85  LYS  HN   86  ASP  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat= 429, 451, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  85  LYS  QPB  85  LYS  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 433, 434,
 &end
#
#  85  LYS  QPB  86  ASP  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 433, 434,
 &end
#
#  85  LYS  QPD  85  LYS  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 439, 440,
 &end
#
#  85  LYS  QPG  85  LYS  HN   3.50  6.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 429, r1= 1.30, r2= 1.80, r3= 3.93, r4= 4.43,
 igr1= 436, 437,
 &end
#
#  86  ASP  HA   86  ASP  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 451, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  86  ASP  QPB  86  ASP  HN   2.50  3.50
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 451, r1= 1.30, r2= 1.80, r3= 2.81, r4= 3.31,
 igr1= 455, 456,
 &end


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