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
281732 2kp4 cing 1-original 3 AMBER distance general distance simple


#  
# Fluorine - proton distances
#
#   1 FG5  F  1 FG5  H8   1.5  3.0    ( (# M))
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  13, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   2 FC   F  2 FC H6   1.5  3.00 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  46, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  &end
#
#   3 FT   F  3 FT H6   1.5  3.50   ( (# W ))
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  76, r1= 1.00, r2= 1.50, r3= 3.50, r4= 4.00,  &end
#
#   4 FA   F  4 FA H8   1.5  2.5    ( (# S))
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 108, r1= 1.00, r2= 1.50, r3= 2.50, r4= 3.00,  &end
#
#   5 FT   F  5 FT H6   1.5  3.50   ( (# W ))
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 140, r1= 1.00, r2= 1.50, r3= 3.50, r4= 4.00,  &end
#
#   6 FA   F  6 FA H8   1.5  3.00   ( (# M ))
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 172, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  &end
#
#   7 FA   F  7 FA H8   1.5  3.0    ( (# M ))
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 204, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  &end
#
#   8 FT   F  8 FT H6   1.5  2.8    ( (# S ))
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 236, r1= 1.00, r2= 1.50, r3= 2.80, r4= 3.30,  &end
#
#   9 FG   F  9 FG H8   1.5  3.0    ( (# M ))
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 268, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  &end
#
#  10 FG   F 10 FG3  H8   1.5  3.0    ( (# M ))
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 301, r1= 1.00, r2= 1.50, r3= 3.00, r4= 3.50,  &end
#
#   1 FG5  F  2 FC H6   1.5  4.00   ( (# W))
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  46, r1= 1.00, r2= 1.50, r3= 4.00, r4= 4.50,  &end
#
#   2 FC   F  3 FT H6   1.5  4.00   ( (#over))
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  76, r1= 1.00, r2= 1.50, r3= 4.00, r4= 4.50,  &end
#
#   3 FT   F  4 FA H8   1.5  2.5    ( (#S ))
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 108, r1= 1.00, r2= 1.50, r3= 2.50, r4= 3.00,  &end
#
#   4 FA   F  5 FT H6   1.5  4.00   ( (# W ))
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 140, r1= 1.00, r2= 1.50, r3= 4.00, r4= 4.50,  &end
#
#   5 FT   F  6 FA H8   1.5  2.5    ( (#S  ))
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 172, r1= 1.00, r2= 1.50, r3= 2.50, r4= 3.00,  &end
#
#   6 FA   F  7 FA H8   1.5  3.50   ( (# W ))
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 204, r1= 1.00, r2= 1.50, r3= 3.50, r4= 4.00,  &end
#
#   7 FA   F       8 FT   H6        1.5  4.00   ( (# W))
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 236, r1= 1.00, r2= 1.50, r3= 4.00, r4= 4.50,  &end
#
#   8 FT   F       9 FG   H8        1.5  2.5    ( (#S  ))
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 268, r1= 1.00, r2= 1.50, r3= 2.50, r4= 3.00,  &end
#
#   9 FG   F      10 FG3  H8        1.5  4.9    ( (# M ))
 &rst
  ixpk= 0, nxpk= 0, iat= 285, 301, r1= 1.00, r2= 1.50, r3= 4.90, r4= 5.40,  &end



Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Tuesday, April 16, 2024 12:43:35 PM GMT (wattos1)