BMRB

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
630395 5oph RC 34168 cing 1-original 5 AMBER planarity 

# PLANARITY RESTRAINTS
#
# FIRST QUARTET: 1-22-13-10
#
# 1-22
#  planaritets restraint:  N9 N7 N1 N3
 &rst iat=1,1,22,22, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C5 C2 N7 C4
 &rst iat=1,1,22,22, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C2 C8 C2 C8
 &rst iat=1,1,22,22, atnam(1)='C2', atnam(2)='C8',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

# 22-13
#  planarity restraints:  N9 N7 N1 N3
 &rst iat=22,22,13,13, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C5 C2 N7 C4
 &rst iat=22,22,13,13, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C2 C8 C2 C8
 &rst iat=22,22,13,13, atnam(1)='C2', atnam(2)='C8',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end
     
# 13-10   
#  planaritets restraint:  N9 N7 N1 N3
 &rst iat=13,13,10,10, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C5 C2 N7 C4
 &rst iat=13,13,10,10, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C2 C8 C2 C8
 &rst iat=13,13,10,10, atnam(1)='C2', atnam(2)='C8',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

# 10-1
#  planarity restraints:  N9 N7 N1 N3
 &rst iat=22,22,1,1, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C5 C2 N7 C4
 &rst iat=22,22,1,1, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C2 C8 C2 C8
 &rst iat=22,22,1,1, atnam(1)='C2', atnam(2)='C8',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end





#  SECOND QUARTET: 2-9-14-21
# 2-9
#  planaritets restraint:  N9 N7 N1 N3
 &rst iat=2,2,9,9, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C5 C2 N7 C4
 &rst iat=2,2,9,9, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C2 C8 C2 C8
 &rst iat=2,2,9,9, atnam(1)='C2', atnam(2)='C8',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end
     
# 9-14     
#  planarity restraints:  N9 N7 N1 N3
 &rst iat=9,9,14,14, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C5 C2 N7 C4
 &rst iat=9,9,14,14, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C2 C8 C2 C8
 &rst iat=9,9,14,14, atnam(1)='C2', atnam(2)='C8',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

# 14-21
#  planarity restraints:  N9 N7 N1 N3
 &rst iat=14,14,21,21, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C5 C2 N7 C4
 &rst iat=14,14,21,21, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C2 C8 C2 C8
 &rst iat=14,14,21,21, atnam(1)='C2', atnam(2)='C8',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

# 21-2
#  planarity restraints:  N9 N7 N1 N3
 &rst iat=21,21,2,2, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C5 C2 N7 C4
 &rst iat=21,21,2,2, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C2 C8 C2 C8
 &rst iat=21,21,2,2, atnam(1)='C2', atnam(2)='C8',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end


#
#THIRD QUARTET: 3-20-15-8
# 3-20
#  planaritets restraint:  N9 N7 N1 N3
 &rst iat=3,3,20,20, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C5 C2 N7 C4
 &rst iat=3,3,20,20, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C2 C8 C2 C8
 &rst iat=3,3,20,20, atnam(1)='C2', atnam(2)='C8',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

# 20-15
#  planarity restraints:  N9 N7 N1 N3
 &rst iat=20,20,15,15, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C5 C2 N7 C4
 &rst iat=20,20,15,15, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C2 C8 C2 C8
 &rst iat=20,20,15,15, atnam(1)='C2', atnam(2)='C8',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end


# 15-8
#  planarity restraints:  N9 N7 N1 N3
 &rst iat=15,15,8,8, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C5 C2 N7 C4
 &rst iat=15,15,8,8, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C2 C8 C2 C8
 &rst iat=15,15,8,8, atnam(1)='C2', atnam(2)='C8',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end


# 8-3
#  planarity restraints:  N9 N7 N1 N3
 &rst iat=8,8,3,3, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C5 C2 N7 C4
 &rst iat=8,8,3,3, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C2 C8 C2 C8
 &rst iat=8,8,3,3, atnam(1)='C2', atnam(2)='C8',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#
#
#
#
#
#
#
#
#FOURTH QUARTET: 4-7-16-19	
# 4-7
#  planarity restraints:  N9 N7 N1 N3
 &rst iat=4,4,7,7, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C5 C2 N7 C4
 &rst iat=4,4,7,7, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C2 C8 C2 C8
 &rst iat=4,4,7,7, atnam(1)='C2', atnam(2)='C8',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

# 7-16
#  planarity restraints:  N9 N7 N1 N3
 &rst iat=7,7,16,16, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C5 C2 N7 C4
 &rst iat=7,7,16,16, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C2 C8 C2 C8
 &rst iat=7,7,16,16, atnam(1)='C2', atnam(2)='C8',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

# 16-19
#  planarity restraints:  N9 N7 N1 N3
 &rst iat=16,16,19,19, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C5 C2 N7 C4
 &rst iat=16,16,19,19, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C2 C8 C2 C8
 &rst iat=16,16,19,19, atnam(1)='C2', atnam(2)='C8',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

# 19-4
#  planarity restraints:  N9 N7 N1 N3
 &rst iat=19,19,4,4, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C5 C2 N7 C4
 &rst iat=19,19,4,4, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end

#  planaritets restraint:  C2 C8 C2 C8
 &rst iat=19,19,4,4, atnam(1)='C2', atnam(2)='C8',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     rk2=20.0, rk3=20.0, nstep1=0, nstep2=100000, iresid=1, &end
# 
# 
# 
# 
#

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

Contact our support address for help, if required. Sunday, August 16, 2026, 6:57:16 AM Coordinated Universal Time