NMR Restraints Grid

Result table
(Save to zip file containing files for each block)
image	mrblock_id	pdb_id	cing	stage	position	program	type
	476133	1buf R C	cing	1-original	5	AMBER	dihedral angle
# backbone torsion; belta and epsilon (can be determined from HSQC expt.)
# the following torsion angles are in the order of:
# C4'-C5'-O5'-P (beta); C4'-C3'-O3'-P(n+1) (epsilon); H3'-C3'-O3'-P(n+1)
# +/- 2.5 Hz => +/- 2.5 deg. extending 10 deg. at each side.
#
# from C1 and C7   =================================================
 &rst  iat=6,23,28,29,r1=-168.8,r2=-158.8,r3=-153.8,r4=-143.8,
       rk2=50,rk3=50,&end
 &rst  iat=24,23,28,29,r1=-46.1,r2=-36.1,r3=-31.1,r4=-21.1,&end
 &rst  iat=196,213,218,219,r1=-168.8,r2=-158.8,r3=-153.8,r4=-143.8,&end
 &rst  iat=214,213,218,219,r1=-46.1,r2=-36.1,r3=-31.1,r4=-21.1,&end
# from A2 and A8   =================================================
 &rst  iat=36,33,32,29,r1=-168.8,r2=-158.8,r3=-153.8,r4=-143.8,
       rk2=50,rk3=50,&end
 &rst  iat=36,55,60,61,r1=-168.8,r2=-158.8,r3=-153.8,r4=-143.8,
       rk2=50,rk3=50,&end
 &rst  iat=56,55,60,61,r1=-47.9,r2=-37.9,r3=-32.9,r4=-22.9,&end
 &rst  iat=226,223,222,219,r1=-168.8,r2=-158.8,r3=-153.8,r4=-143.8,
       rk2=50,rk3=50,&end
 &rst  iat=226,245,250,251,r1=-168.8,r2=-158.8,r3=-153.8,r4=-143.8,
       rk2=50,rk3=50,&end
 &rst  iat=246,245,250,251,r1=-47.9,r2=-37.9,r3=-32.9,r4=-22.9,&end
# from A3 and A9   =================================================
 &rst  iat=68,65,64,61,r1=147.6,r2=157.6,r3=162.6,r4=172.6,
       rk2=50,rk3=50,&end
 &rst  iat=68,87,92,93,r1=-172.6,r2=-162.6,r3=-157.6,r4=-147.6,
       rk2=50,rk3=50,&end
 &rst  iat=88,87,92,93,r1=-52.0,r2=-42.0,r3=-37.0,r4=-27.0,&end
 &rst  iat=258,255,254,251,r1=147.6,r2=157.6,r3=162.6,r4=172.6,
       rk2=50,rk3=50,&end
 &rst  iat=258,277,282,283,r1=-172.6,r2=-162.6,r3=-157.6,r4=-147.6,
       rk2=50,rk3=50,&end
 &rst  iat=278,277,282,283,r1=-52.0,r2=-42.0,r3=-37.0,r4=-27.0,&end
# from T4 and T10   =================================================
 &rst  iat=100,97,96,93,r1=142.9,r2=152.9,r3=157.9,r4=167.9,
       rk2=50,rk3=50,&end
 &rst  iat=100,119,124,125,r1=-167.9,r2=-157.9,r3=-152.9,r4=-142.9,
       rk2=50,rk3=50,&end
 &rst  iat=120,119,124,125,r1=-46.1,r2=-36.1,r3=-31.1,r4=-21.1,&end
 &rst  iat=290,287,286,283,r1=142.9,r2=152.9,r3=157.9,r4=167.9,
       rk2=50,rk3=50,&end
 &rst  iat=290,309,314,315,r1=-167.9,r2=-157.9,r3=-152.9,r4=-142.9,
       rk2=50,rk3=50,&end
 &rst  iat=310,309,314,315,r1=-46.1,r2=-36.1,r3=-31.1,r4=-21.1,&end
# from T5 and T11   =================================================
 &rst  iat=132,129,128,125,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8,
       rk2=50,rk3=50,&end
 &rst  iat=132,151,156,157,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8,
       rk2=50,rk3=50,&end
 &rst  iat=152,151,156,157,r1=-58.2,r2=-48.2,r3=-43.2,r4=-33.2,&end
 &rst  iat=322,319,318,315,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8,
       rk2=50,rk3=50,&end
 &rst  iat=322,341,346,347,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8,
       rk2=50,rk3=50,&end
 &rst  iat=342,341,346,347,r1=-58.2,r2=-48.2,r3=-43.2,r4=-33.2,&end
# from G6 and G12  ==================================================
 &rst  iat=164,161,160,157,r1=148.7,r2=158.7,r3=163.7,r4=173.7,
       rk2=50,rk3=50,&end
 &rst  iat=354,351,350,347,r1=148.7,r2=158.7,r3=163.7,r4=173.7,
       rk2=50,rk3=50,&end