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
594990 2n2d 25596 cing 1-original 1 AMBER distance hydrogen bond simple


# Hydrogen bonds within G-quartets 
# 
# 4  DG   O6     7   DG  H1    1.7     1.9 
 &rst 
  ixpk= 0, nxpk= 0, iat= 116, 211, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0, 
 &end 
# 
# 4  DG   N7     7   DG  H21   1.9     2.1 
 &rst 
  ixpk= 0, nxpk= 0, iat= 113, 214, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end 
# 
# 19 DG   O6     4   DG  H1    1.7     1.9 
 &rst 
  ixpk= 0, nxpk= 0, iat= 593, 118, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end 
# 
# 19 DG   N7     4   DG  H21   1.9     2.1 
 &rst 
  ixpk= 0, nxpk= 0, iat= 590, 121, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end 
# 
# 16 DG   O6     19  DG  H1    1.7     1.9 
 &rst 
  ixpk= 0, nxpk= 0, iat= 500, 595, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end 
# 
# 16 DG   N7     19  DG  H21   1.9     2.1 
 &rst 
  ixpk= 0, nxpk= 0, iat= 497, 598, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end 
# 
# 7  DG   O6     16  DG  H1    1.7     1.9 
 &rst 
  ixpk= 0, nxpk= 0, iat= 209, 502, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end 
# 
# 7  DG   N7     16  DG  H21   1.9     2.1 
 &rst 
  ixpk= 0, nxpk= 0, iat= 206, 505, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end 
# 
# 
# 1  DG   O6     22  DG  H1    1.7     1.9 
 &rst 
  ixpk= 0, nxpk= 0, iat=  17, 694, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0, 
 &end 
# 
# 1  DG   N7     22  DG  H21   1.9     2.1 
 &rst 
  ixpk= 0, nxpk= 0, iat=  14, 697, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end 
# 
# 10 DG   O6     1   DG  H1    1.7     1.9 
 &rst 
  ixpk= 0, nxpk= 0, iat= 308,  19, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end 
# 
# 10 DG   N7     1   DG  H21   1.9     2.1 
 &rst 
  ixpk= 0, nxpk= 0, iat= 305,  22, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end 
# 
# 13 DG   O6     10  DG  H1    1.7     1.9 
 &rst 
  ixpk= 0, nxpk= 0, iat= 401, 310, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end 
# 
# 13 DG   N7     10  DG  H21   1.9     2.1 
 &rst 
  ixpk= 0, nxpk= 0, iat= 398, 313, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end 
# 
# 22 DG   O6     13  DG  H1    1.7     1.9 
 &rst 
  ixpk= 0, nxpk= 0, iat= 692, 403, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end 
# 
# 22 DG   N7     13  DG  H21   1.9     2.1 
 &rst 
  ixpk= 0, nxpk= 0, iat= 689, 406, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end 
# 
# 
# 2  DG   O6     9   DG  H1    1.7     1.9 
 &rst 
  ixpk= 0, nxpk= 0, iat=  50, 277, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end 
# 
# 2  DG   N7     9   DG  H21   1.9     2.1 
 &rst 
  ixpk= 0, nxpk= 0, iat=  47, 280, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end 
# 
# 21 BG   O6     2   DG  H1    1.7     1.9 
 &rst 
  ixpk= 0, nxpk= 0, iat= 659,  52, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end 
# 
# 21 BG   N7     2   DG  H21   1.9     2.1 
 &rst 
  ixpk= 0, nxpk= 0, iat= 656,  55, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end 
# 
# 14 DG   O6     21  DG  H1    1.7     1.9 
 &rst 
  ixpk= 0, nxpk= 0, iat= 434, 661, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end 
# 
# 14 DG   N7     21  DG  H21   1.9     2.1 
 &rst 
  ixpk= 0, nxpk= 0, iat= 431, 664, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end 
# 
# 9  DG   O6     14  DG  H1    1.7     1.9 
 &rst 
  ixpk= 0, nxpk= 0, iat= 275, 436, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end 
# 
# 9  DG   N7     14  DG  H21   1.9     2.1 
 &rst 
  ixpk= 0, nxpk= 0, iat= 272, 439, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end 
# 
# 
# 
# 3  DG   O6     20  DG  H1    1.7     1.9 
 &rst 
  ixpk= 0, nxpk= 0, iat=  83, 628, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end 
# 
# 3  DG   N7     20  DG  H21   1.9     2.1 
 &rst 
  ixpk= 0, nxpk= 0, iat=  80, 631, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end 
# 
# 8  DG   O6     3   DG  H1    1.7     1.9 
 &rst 
  ixpk= 0, nxpk= 0, iat= 242,  85, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end 
# 
# 8  DG   N7     3   DG  H21   1.9     2.1 
 &rst 
  ixpk= 0, nxpk= 0, iat= 239,  88, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end 
# 
# 15 DG   O6     8   DG  H1    1.7     1.9 
 &rst 
  ixpk= 0, nxpk= 0, iat= 467, 244, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end 
# 
# 15 DG   N7     8   DG  H21   1.9     2.1 
 &rst 
  ixpk= 0, nxpk= 0, iat= 464, 247, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end 
# 
# 20 G1L  O6     15  DG  H1    1.7     1.9 
 &rst 
  ixpk= 0, nxpk= 0, iat= 626, 469, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,  &end 
# 
# 20 G1L  N7     15  DG  H21   1.9     2.1 
 &rst 
  ixpk= 0, nxpk= 0, iat= 623, 472, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60,  &end 
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