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
611256 5l06 30148 cing 1-original 4 AMBER distance hydrogen bond simple


#RESTRAINTS FOR H-BOND OR WC

#
# 10    DG    H1    15    DMC   N3    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 306, 464, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
# 10    DG    H21    15    DMC   O2    1.7    2
 &rst
  ixpk= 0, nxpk= 0, iat= 309, 463, r1= 1.20, r2= 1.70, r3= 2.00, r4= 2.50,  &end
#
# 10    DG    N1    15    DMC   N3    2.8    3
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 464, r1= 2.30, r2= 2.80, r3= 3.00, r4= 3.50,  &end
#
# 10    DG    N2    15    DMC   O2    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 308, 463, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 10    DG    O6    15    DMC   H41    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 467, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 10    DG    O6    15    DMC   N4    2.8    3
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 466, r1= 2.30, r2= 2.80, r3= 3.00, r4= 3.50,  &end
#
# 11    DC    H41    14    DG    O6    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 338, 429, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 11    DC    N3    14    DG    H1    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 431, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 11    DC    N3    14    DG    N1    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 340, 430, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 11    DC    N4    14    DG    O6    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 429, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 11    DC    O2    14    DG    H21    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 434, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 11    DC    O2    14    DG    N2    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 433, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 12    DG    H1    13    DC    N3    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 369, 402, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 12    DG    H21    13    DC    O2    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 372, 404, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 12    DG    N1    13    DC    N3    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 402, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 12    DG    N2    13    DC    O2    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 404, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 12    DG    O6    13    DC    H41    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 400, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 12    DG    O6    13    DC    N4    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 399, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 1    DC    H41    24    DG    O6    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat=  18, 749, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 1    DC    N3    24    DG    H1    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat=  20, 751, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 1    DC    N3    24    DG    N1    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat=  20, 750, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 1    DC    N4    24    DG    O6    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat=  17, 749, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 1    DC    O2    24    DG    H21    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat=  22, 754, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 1    DC    O2    24    DG    N2    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat=  22, 753, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 2    DG    H1    23    DC    N3    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat=  49, 722, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 2    DG    H21    23    DC    O2    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 724, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 2    DG    N1    23    DC    N3    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat=  48, 722, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 2    DG    N2    23    DC    O2    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 724, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 2    DG    O6    23    DC    H41    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat=  47, 720, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 2    DG    O6    23    DC    N4    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat=  47, 719, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 3    DMC   H41    22    DG    O6    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 686, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 3    DMC   N3    22    DG    H1    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat=  82, 688, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 3    DMC   N3    22    DG    N1    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat=  82, 687, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 3    DMC   N4    22    DG    O6    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat=  84, 686, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 3    DMC   O2    22    DG    H21    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 691, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 3    DMC   O2    22    DG    N2    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat=  81, 690, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 4    DG     O6    21    DC     H41    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 657, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 4    DG     O6    21    DC     N4    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 656, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 4    DG     H1    21    DC     N3    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 659, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 4    DG     H21    21    DC     O2    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 661, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 4    DG     N1    21    DC     N3    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 659, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 4    DG     N2    21    DC     O2    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 117, 661, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 5    DA    H61    20    DT    O4    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 147, 627, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 5    DA    N1    20    DT    H3    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 629, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 5    DA    N1    20    DT    N3    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 628, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 5    DA    N6    20    DT    O4    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 627, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 6    DA    H61    19    DT    O4    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 595, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 6    DA    N1    19    DT    H3    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 597, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 6    DA    N1    19    DT    N3    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 181, 596, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 6    DA    N6    19    DT    O4    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 595, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 7    DT    H3    18    DA    N1    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 215, 563, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 7    DT    N3    18    DA    N1    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 563, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 7    DT    O4    18    DA    H61    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 561, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 7    DT    O4    18    DA    N6    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 560, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 8    DT    H3    17    DA    N1    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 531, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 8    DT    N3    17    DA    N1    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 531, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 8    DT    O4    17    DA    H61    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 529, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 8    DT    O4    17    DA    N6    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 245, 528, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 9    DC     H41    16    DG     O6    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 275, 495, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 9    DC     N3    16    DG     H1    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 497, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 9    DC     N3    16    DG     N1    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 277, 496, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 9    DC     N4    16    DG     O6    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 274, 495, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end
#
# 9    DC     O2    16    DG     H21    1.8    2
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 500, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
# 9    DC     O2    16    DG     N2    2.7    3
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 499, r1= 2.20, r2= 2.70, r3= 3.00, r4= 3.50,  &end


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