NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype
8884 1n0c cing 1-original 1 AMBER distance NOE simple



#
# 2    CYS   HA    1    ACE   MA        5.20    (#     38 )
 &rst
  ixpk= 38, nxpk= 0, iat=  10,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,

      rk2=25.0, rk3=25.0, ir6=1, ialtd=0,
 igr2=   1,   3,   4,
 &end
#
# 2    CYS   HA    11   CYS   HA        3.00    (#     36 )
 &rst
  ixpk= 36, nxpk= 0, iat=  10, 154, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 2    CYS  HB3    9    LEU  QQD        7.20    (#     85 )
 &rst
  ixpk= 85, nxpk= 0, iat=  13, 123, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 2    CYS  HB3    9    LEU  QQD        7.20    (#     84 )
 &rst
  ixpk= 84, nxpk= 0, iat=  13, 123, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 2    CYS  HB3    9    LEU   HG        3.40    (#     81 )
 &rst
  ixpk= 81, nxpk= 0, iat=  13, 124, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 2    CYS   HN    2    CYS  HB2        3.00    (#     19 )
 &rst
  ixpk= 19, nxpk= 0, iat=   8,  12, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 3    HIS   HA    2    CYS  HB3        5.20    (#     50 )
 &rst
  ixpk= 50, nxpk= 0, iat=  20,  13, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 3    HIS  HD2    5    GLU   HA        5.20    (#     35 )
 &rst
  ixpk= 35, nxpk= 0, iat=  31,  61, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 3    HIS  HD2    5    GLU  QPB        5.20    (#     14 )
 &rst
  ixpk= 14, nxpk= 0, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=  63,  64,
 &end
#
# 3    HIS  HD2    5    GLU  QPB        5.20    (#     15 )
 &rst
  ixpk= 15, nxpk= 0, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=  63,  64,
 &end
#
# 3    HIS  HD2    5    GLU  QPG        3.40    (#     16 )
 &rst
  ixpk= 16, nxpk= 0, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=  66,  67,
 &end
#
# 3    HIS  HD2    5    GLU  QPG        3.40    (#     17 )
 &rst
  ixpk= 17, nxpk= 0, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=  66,  67,
 &end
#
# 3    HIS  HD2    10   VAL   HB        5.20    (#     13 )
 &rst
  ixpk= 13, nxpk= 0, iat=  31, 140, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 3    HIS  HD2    10   VAL  MG2        5.20    (#     12 )
 &rst
  ixpk= 12, nxpk= 0, iat=  31,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 146, 147, 148,
 &end
#
# 3    HIS  HE1    10   VAL   HB        5.20    (#     73 )
 &rst
  ixpk= 73, nxpk= 0, iat=  28, 140, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 3    HIS  HE1    10   VAL  MG1        5.20    (#      1 )
 &rst
  ixpk= 1, nxpk= 0, iat=  28,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 142, 143, 144,
 &end
#
# 3    HIS  HE1    10   VAL  MG2        5.20    (#     70 )
 &rst
  ixpk= 70, nxpk= 0, iat=  28,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 146, 147, 148,
 &end
#
# 3    HIS   HN    2    CYS   HA        3.00    (#     79 )
 &rst
  ixpk= 79, nxpk= 0, iat=  18,  10, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 3    HIS   HN    3    HIS  HD2        5.20    (#     57 )
 &rst
  ixpk= 57, nxpk= 0, iat=  18,  31, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 3    HIS   HN    9    LEU  QQD        7.20    (#     68 )
 &rst
  ixpk= 68, nxpk= 0, iat=  18, 123, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 3    HIS   HN    10   VAL   HB        5.20    (#     67 )
 &rst
  ixpk= 67, nxpk= 0, iat=  18, 140, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 3    HIS   HN    10   VAL   HN        4.20    (#     60 )
 &rst
  ixpk= 60, nxpk= 0, iat=  18, 136, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 4    TRP   HA    9    LEU   HA        3.00    (#     40 )
 &rst
  ixpk= 40, nxpk= 0, iat=  37, 119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 4    TRP   HA    9    LEU  QQD        7.20    (#     59 )
 &rst
  ixpk= 59, nxpk= 0, iat=  37, 123, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 4    TRP  HD1    3    HIS   HA        5.20    (#     30 )
 &rst
  ixpk= 30, nxpk= 0, iat=  43,  20, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 4    TRP  HD1    9    LEU   HA        5.20    (#     23 )
 &rst
  ixpk= 23, nxpk= 0, iat=  43, 119, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 4    TRP  HD1    9    LEU  QQD        7.20    (#      7 )
 &rst
  ixpk= 7, nxpk= 0, iat=  43, 123, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 4    TRP  HD1    4    TRP  HB2        3.00    (#     19 )
 &rst
  ixpk= 19, nxpk= 0, iat=  43,  39, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 4    TRP  HD1    4    TRP  HB3        4.20    (#     21 )
 &rst
  ixpk= 21, nxpk= 0, iat=  43,  40, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 4    TRP  HE1    9    LEU  QQD        7.20    (#     50 )
 &rst
  ixpk= 50, nxpk= 0, iat=  45, 123, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 4    TRP  HE3    9    LEU   HA        4.20    (#     22 )
 &rst
  ixpk= 22, nxpk= 0, iat=  54, 119, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 4    TRP  HE3    9    LEU  HB2        5.20    (#      9 )
 &rst
  ixpk= 9, nxpk= 0, iat=  54, 121, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 4    TRP  HE3    9    LEU  QQD        7.20    (#      6 )
 &rst
  ixpk= 6, nxpk= 0, iat=  54, 123, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 4    TRP  HE3    8    LYS   HA        5.20    (#     28 )
 &rst
  ixpk= 28, nxpk= 0, iat=  54,  97, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 4    TRP  HE3    4    TRP  HB2        5.20    (#     18 )
 &rst
  ixpk= 18, nxpk= 0, iat=  54,  39, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 4    TRP  HE3    4    TRP  HB3        3.00    (#     20 )
 &rst
  ixpk= 20, nxpk= 0, iat=  54,  40, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 4    TRP  HH2    9    LEU  HB2        5.20    (#     10 )
 &rst
  ixpk= 10, nxpk= 0, iat=  50, 121, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 4    TRP  HH2    9    LEU  QQD        7.20    (#      8 )
 &rst
  ixpk= 8, nxpk= 0, iat=  50, 123, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 4    TRP  HH2    9    LEU  QQD        7.20    (#      4 )
 &rst
  ixpk= 4, nxpk= 0, iat=  50, 123, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 4    TRP   HN    3    HIS   HA        3.40    (#     66 )
 &rst
  ixpk= 66, nxpk= 0, iat=  35,  20, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 4    TRP   HN    3    HIS  HB3        4.20    (#     77 )
 &rst
  ixpk= 77, nxpk= 0, iat=  35,  23, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 4    TRP   HN    3    HIS  HB2        3.40    (#     78 )
 &rst
  ixpk= 78, nxpk= 0, iat=  35,  22, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 4    TRP   HN    3    HIS  HD2        5.20    (#     56 )
 &rst
  ixpk= 56, nxpk= 0, iat=  35,  31, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 4    TRP   HN    4    TRP  HB2        3.00    (#     15 )
 &rst
  ixpk= 15, nxpk= 0, iat=  35,  39, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 4    TRP  HZ2    9    LEU  QQD        7.20    (#      5 )
 &rst
  ixpk= 5, nxpk= 0, iat=  48, 123, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 4    TRP  HZ2    9    LEU  QQD        7.20    (#      2 )
 &rst
  ixpk= 2, nxpk= 0, iat=  48, 123, r1= 1.30, r2= 1.80, r3= 7.20, r4= 7.70,  &end
#
# 4    TRP  HZ3    9    LEU   HA        5.20    (#     27 )
 &rst
  ixpk= 27, nxpk= 0, iat=  52, 119, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 4    TRP  HZ3    9    LEU  HB2        4.20    (#     11 )
 &rst
  ixpk= 11, nxpk= 0, iat=  52, 121, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 4    TRP  HZ3    8    LYS   HA        3.40    (#     34 )
 &rst
  ixpk= 34, nxpk= 0, iat=  52,  97, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 5    GLU   HA    5    GLU  QPG        3.00    (#     52 )
 &rst
  ixpk= 52, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  66,  67,
 &end
#
# 5    GLU   HA    5    GLU  QPG        3.00    (#     51 )
 &rst
  ixpk= 51, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 3.37, r4= 3.87,
 igr2=  66,  67,
 &end
#
# 5    GLU   HA    6    GLY  QPA        5.20    (#     65 )
 &rst
  ixpk= 65, nxpk= 0, iat=  61,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2=  76,  77,
 &end
#
# 5    GLU  QPB    10   VAL  MG2        5.20    (#     87 )
 &rst
  ixpk= 87, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=  63,  64,
 igr2= 146, 147, 148,
 &end
#
# 5    GLU  QPB    10   VAL  MG2        5.20    (#     86 )
 &rst
  ixpk= 86, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=  63,  64,
 igr2= 146, 147, 148,
 &end
#
# 5    GLU  QPG    10   VAL  MG2        5.20    (#     83 )
 &rst
  ixpk= 83, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=  66,  67,
 igr2= 146, 147, 148,
 &end
#
# 5    GLU  QPG    10   VAL  MG2        5.20    (#     82 )
 &rst
  ixpk= 82, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=  66,  67,
 igr2= 146, 147, 148,
 &end
#
# 5    GLU   HN    8    LYS   HN        4.20    (#     58 )
 &rst
  ixpk= 58, nxpk= 0, iat=  59,  95, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 5    GLU   HN    4    TRP   HA        3.00    (#     64 )
 &rst
  ixpk= 64, nxpk= 0, iat=  59,  37, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 5    GLU   HN    4    TRP  HE3        5.20    (#     54 )
 &rst
  ixpk= 54, nxpk= 0, iat=  59,  54, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 5    GLU   HN    10   VAL  MG2        5.20    (#     51 )
 &rst
  ixpk= 51, nxpk= 0, iat=  59,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 146, 147, 148,
 &end
#
# 6    GLY   HN    5    GLU   HA        3.00    (#     65 )
 &rst
  ixpk= 65, nxpk= 0, iat=  74,  61, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 7    ASN   HN    8    LYS   HN        3.40    (#     59 )
 &rst
  ixpk= 59, nxpk= 0, iat=  81,  95, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 8    LYS   HA    9    LEU   HA        5.20    (#     64 )
 &rst
  ixpk= 64, nxpk= 0, iat=  97, 119, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 8    LYS  QPG    10   VAL  MG2        5.20    (#     96 )
 &rst
  ixpk= 96, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1= 102, 103,
 igr2= 146, 147, 148,
 &end
#
# 8    LYS   HN    8    LYS  QPG        5.20    (#     33 )
 &rst
  ixpk= 33, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 102, 103,
 &end
#
# 8    LYS   HN    8    LYS  QPG        5.20    (#     32 )
 &rst
  ixpk= 32, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 102, 103,
 &end
#
# 8    LYS   HN    4    TRP  HE3        4.20    (#     63 )
 &rst
  ixpk= 63, nxpk= 0, iat=  95,  54, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 9    LEU   HA    9    LEU   HG        3.40    (#     70 )
 &rst
  ixpk= 70, nxpk= 0, iat= 119, 124, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 9    LEU   HA    10   VAL  MG2        5.20    (#     69 )
 &rst
  ixpk= 69, nxpk= 0, iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 146, 147, 148,
 &end
#
# 9    LEU   HN    9    LEU  HB3        3.40    (#     28 )
 &rst
  ixpk= 28, nxpk= 0, iat= 117, 122, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 9    LEU   HN    8    LYS   HA        3.00    (#     84 )
 &rst
  ixpk= 84, nxpk= 0, iat= 117,  97, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 9    LEU   HN    4    TRP  HZ3        4.20    (#     62 )
 &rst
  ixpk= 62, nxpk= 0, iat= 117,  52, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 10   VAL   HN    9    LEU   HA        3.00    (#     82 )
 &rst
  ixpk= 82, nxpk= 0, iat= 136, 119, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
# 10   VAL   HN    9    LEU   HG        5.20    (#     74 )
 &rst
  ixpk= 74, nxpk= 0, iat= 136, 124, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 10   VAL   HN    10   VAL   HB        3.40    (#     25 )
 &rst
  ixpk= 25, nxpk= 0, iat= 136, 140, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 11   CYS   HA    2    CYS  HB3        4.20    (#     49 )
 &rst
  ixpk= 49, nxpk= 0, iat= 154,  13, r1= 1.30, r2= 1.80, r3= 4.20, r4= 4.70,  &end
#
# 11   CYS   HA    10   VAL   HA        5.20    (#     39 )
 &rst
  ixpk= 39, nxpk= 0, iat= 154, 138, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 11   CYS   HA    10   VAL  MG1        5.20    (#     97 )
 &rst
  ixpk= 97, nxpk= 0, iat= 154,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 142, 143, 144,
 &end
#
# 11   CYS   HN    11   CYS  HB2        3.40    (#     18 )
 &rst
  ixpk= 18, nxpk= 0, iat= 152, 156, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 11   CYS   HN    12   NHE  HN2        5.20    (#     61 )
 &rst
  ixpk= 61, nxpk= 0, iat= 152, 163, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 11   CYS   HN    10   VAL   HA        3.40    (#     83 )
 &rst
  ixpk= 83, nxpk= 0, iat= 152, 138, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
# 11   CYS   HN    10   VAL  MG1        5.20    (#     72 )
 &rst
  ixpk= 72, nxpk= 0, iat= 152,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 142, 143, 144,
 &end
#
# 12   NHE  HN2    11   CYS  HB2        5.20    (#     97 )
 &rst
  ixpk= 97, nxpk= 0, iat= 163, 156, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 12   NHE  HN2    2    CYS   HA        5.20    (#    110 )
 &rst
  ixpk= 110, nxpk= 0, iat= 163,  10, r1= 1.30, r2= 1.80, r3= 5.20, r4= 5.70,  &end
#
# 12   NHE  HN2    10   VAL  MG1        5.20    (#     89 )
 &rst
  ixpk= 89, nxpk= 0, iat= 163,  -1, r1= 1.30, r2= 1.80, r3= 6.24, r4= 6.74,
 igr2= 142, 143, 144,
 &end
#
# 8    LYS   HA    8    LYS  QPD        4.20    (#     56 )
 &rst
  ixpk= 56, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 4.71, r4= 5.21,
 igr2= 105, 106,
 &end
#
# 8    LYS   HA    8    LYS  QPE        5.20    (#     48 )
 &rst
  ixpk= 48, nxpk= 0, iat=  97,  -1, r1= 1.30, r2= 1.80, r3= 5.84, r4= 6.34,
 igr2= 108, 109,
 &end
#
# 8    LYS  QPB    10   VAL  MG2        6.20    (#     88 )
 &rst
  ixpk= 88, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.36, r4= 8.86,
 igr1=  99, 100,
 igr2= 146, 147, 148,
 &end
#
# 8    LYS  QPD    10   VAL  MG2        6.20    (#     89 )
 &rst
  ixpk= 89, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.36, r4= 8.86,
 igr1= 105, 106,
 igr2= 146, 147, 148,
 &end
#
# 8    LYS  QPE    8    LYS  QPB        5.20    (#     77 )
 &rst
  ixpk= 77, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.55, r4= 7.05,
 igr1= 108, 109,
 igr2=  99, 100,
 &end
#
# 8    LYS  QPE    10   VAL  MG1        6.20    (#    100 )
 &rst
  ixpk= 100, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.36, r4= 8.86,
 igr1= 108, 109,
 igr2= 142, 143, 144,
 &end
#
# 8    LYS  QPE    10   VAL  MG2        6.20    (#     74 )
 &rst
  ixpk= 74, nxpk= 0, iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.36, r4= 8.86,
 igr1= 108, 109,
 igr2= 146, 147, 148,
 &end
#
# 8    LYS   HN    8    LYS  QPB        3.40    (#     35 )
 &rst
  ixpk= 35, nxpk= 0, iat=  95,  -1, r1= 1.30, r2= 1.80, r3= 3.82, r4= 4.32,
 igr2=  99, 100,
 &end
#


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