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

631453 6gzn 34297 cing 1-original 2 AMBER planarity
# Restraints file 3: RANG4T_PLANARITY.list
# 1-13
#  planarity restraint:  N9 N7 N1 N3
 &rst iat=1,1,13,13, 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=225000, iresid=1, &end
#
#  planarity restraint:  C5 C2 N7 C4
 &rst iat=1,1,13,13, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C8 C2 C8 C2
 &rst iat=1,1,13,13, atnam(1)='C8', atnam(2)='C2',
     atnam(3)='C8', atnam(4)='C2',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
# 13-19
  planarity restraints:  N9 N7 N1 N3
 &rst iat=13,13,19,19, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C5 C2 N7 C4
 &rst iat=13,13,19,19, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C8 C2 C8 C2
 &rst iat=13,13,19,19, atnam(1)='C8', atnam(2)='C2',
     atnam(3)='C8', atnam(4)='C2',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#     
# 19-7
#  planarity restraint:  N9 N7 N1 N3
 &rst iat=19,19,7,7, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C5 C2 N7 C4
 &rst iat=19,19,7,7, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end

#  planarity restraint:  C8 C2 C8 C2
 &rst iat=19,19,7,7, atnam(1)='C8', atnam(2)='C2',
     atnam(3)='C8', atnam(4)='C2',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  7-1
#  planarity restraints:  N9 N7 N1 N3
 &rst iat=7,7,1,1, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C5 C2 N7 C4
 &rst iat=7,7,1,1, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C8 C2 C8 C2
 &rst iat=7,7,1,1, atnam(1)='C8', atnam(2)='C2',
     atnam(3)='C8', atnam(4)='C2',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
# 2-6
#  planarity restraint:  N9 N7 N1 N3
 &rst iat=2,2,6,6, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C5 C2 N7 C4
 &rst iat=2,2,6,6, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C8 C2 C8 C2
 &rst iat=2,2,6,6, atnam(1)='C8', atnam(2)='C2',
     atnam(3)='C8', atnam(4)='C2',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#     
# 6-18
#  planarity restraints:  N9 N7 N1 N3
 &rst iat=6,6,18,18, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C5 C2 N7 C4
 &rst iat=6,6,18,18, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C8 C2 C8 C2
 &rst iat=6,6,18,18, atnam(1)='C8', atnam(2)='C2',
     atnam(3)='C8', atnam(4)='C2',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
# 18-14
#  planarity restraints:  N9 N7 N1 N3
 &rst iat=18,18,14,14, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end

#  planarity restraint:  C5 C2 N7 C4
 &rst iat=18,18,14,14, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end

#  planarity restraint:  C8 C2 C8 C2
 &rst iat=18,18,14,14, atnam(1)='C8', atnam(2)='C2',
     atnam(3)='C8', atnam(4)='C2',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end

# 14-2
#  planarity restraints:  N9 N7 N1 N3
 &rst iat=14,14,2,2, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C5 C2 N7 C4
 &rst iat=14,14,2,2, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C8 C2 C8 C2
 &rst iat=14,14,2,2, atnam(1)='C8', atnam(2)='C2',
     atnam(3)='C8', atnam(4)='C2',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
# 8-20
#  planarity restraint:  N9 N7 N1 N3
 &rst iat=20,20,8,8, 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=225000, iresid=1, &end
#
#  planarity restraint:  C5 C2 N7 C4
 &rst iat=20,20,8,8, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C8 C2 C8 C2
 &rst iat=20,20,8,8, atnam(1)='C8', atnam(2)='C2',
     atnam(3)='C8', atnam(4)='C2',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
# 8-12
#  planarity restraints:  N9 N7 C6 N3
 &rst iat=12,12,8,8, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='C6', atnam(4)='N3',
     r1=170.0, r2=175.0, r3=185.0, r4=190.0,
     iresid=1, &end
#
#  planarity restraint:  C4 C2 C4 N7 
 &rst iat=12,12,8,8, atnam(1)='C4', atnam(2)='C2',
     atnam(3)='C4', atnam(4)='N7',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C8 C2 C2 C8
 &rst iat=12,12,8,8, atnam(1)='C8', atnam(2)='C2',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#     
# 3-17
#  planarity restraint:  N9 N7 C5 N3
 &rst iat=3,3,17,17, atnam(1)='N9', atnam(2)='N7',
     atnam(3)='C5', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C5 C2 C4 N7
 &rst iat=3,3,17,17, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='C4', atnam(4)='N7',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C8 C2 C2 C8
 &rst iat=3,3,17,17, atnam(1)='C8', atnam(2)='C2',
     atnam(3)='C2', atnam(4)='C8',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#     
# 3-5
#  planarity restraints:  N7 N9 N1 N3 
 &rst iat=3,3,5,5, atnam(1)='N7', atnam(2)='N9',
     atnam(3)='N1', atnam(4)='N3',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C5 C2 N7 C4
 &rst iat=3,3,5,5, atnam(1)='C5', atnam(2)='C2',
     atnam(3)='N7', atnam(4)='C4',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
#  planarity restraint:  C8 C2 C8 C2
 &rst iat=3,3,5,5, atnam(1)='C8', atnam(2)='C2',
     atnam(3)='C8', atnam(4)='C2',
     r1=350.0, r2=355.0, r3=365.0, r4=370.0,
     iresid=1, &end
#
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Contact the webmaster for help, if required. Friday, April 26, 2024 4:44:27 PM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	631453	6gzn	34297	cing	1-original	2	AMBER	planarity