NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image	mrblock_id	pdb_id	cing	stage	position	program	type
	13402	1uqa	cing	1-original	4	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=-48.4,r2=-38.4,r3=-33.4,r4=-23.4,&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=-48.4,r2=-38.4,r3=-33.4,r4=-23.4,&end
# from A2 and A8   =================================================
 &rst  iat=36,33,32,29,r1=-192.5,r2=-182.5,r3=-177.5,r4=-167.5,
       rk2=50,rk3=50,&end
 &rst  iat=36,55,60,61,r1=-192.5,r2=-182.5,r3=-177.5,r4=-167.5,
       rk2=50,rk3=50,&end
 &rst  iat=56,55,60,61,r1=-72.5,r2=-62.5,r3=-57.5,r4=-47.5,&end
 &rst  iat=226,223,222,219,r1=-192.5,r2=-182.5,r3=-177.5,r4=-167.5,
       rk2=50,rk3=50,&end
 &rst  iat=226,245,250,251,r1=-192.5,r2=-182.5,r3=-177.5,r4=-167.5,
       rk2=50,rk3=50,&end
 &rst  iat=246,245,250,251,r1=-72.5,r2=-62.5,r3=-57.5,r4=-47.5,&end
# from T3 and T9   =================================================
 &rst  iat=68,65,64,61,r1=-164.7,r2=-154.7,r3=-149.7,r4=-139.7,
       rk2=50,rk3=50,&end
 &rst  iat=68,87,92,93,r1=-164.7,r2=-154.7,r3=-149.7,r4=-139.7,
       rk2=50,rk3=50,&end
 &rst  iat=88,87,92,93,r1=-47.3,r2=-37.3,r3=-32.3,r4=-22.3,&end
 &rst  iat=258,255,254,251,r1=-164.7,r2=-154.7,r3=-149.7,r4=-139.7,
       rk2=50,rk3=50,&end
 &rst  iat=258,277,282,283,r1=-164.7,r2=-154.7,r3=-149.7,r4=-139.7,
       rk2=50,rk3=50,&end
 &rst  iat=278,277,282,283,r1=-47.3,r2=-37.3,r3=-32.3,r4=-22.3,&end
# from A4 and A10   =================================================
 &rst  iat=100,97,96,93,r1=-192.5,r2=-182.5,r3=-177.5,r4=-167.5,
       rk2=50,rk3=50,&end
 &rst  iat=100,119,124,125,r1=-192.5,r2=-182.5,r3=-177.5,r4=-167.5,
       rk2=50,rk3=50,&end
 &rst  iat=120,119,124,125,r1=-72.5,r2=-62.5,r3=-57.5,r4=-47.5,&end
 &rst  iat=290,287,286,283,r1=-192.5,r2=-182.5,r3=-177.5,r4=-167.5,
       rk2=50,rk3=50,&end
 &rst  iat=290,309,314,315,r1=-192.5,r2=-182.5,r3=-177.5,r4=-167.5,
       rk2=50,rk3=50,&end
 &rst  iat=310,309,314,315,r1=-72.5,r2=-62.5,r3=-57.5,r4=-47.5,&end
# from T5 and T11   =================================================
 &rst  iat=132,129,128,125,r1=-176.0,r2=-166.0,r3=-161.0,r4=-151.0,
       rk2=50,rk3=50,&end
 &rst  iat=132,151,156,157,r1=-176.0,r2=-166.0,r3=-161.0,r4=-151.0,
       rk2=50,rk3=50,&end
 &rst  iat=152,151,156,157,r1=-53.0,r2=-43.0,r3=-38.0,r4=-28.0,&end
 &rst  iat=322,319,318,315,r1=-176.0,r2=-166.0,r3=-161.0,r4=-151.0,
       rk2=50,rk3=50,&end
 &rst  iat=322,341,346,347,r1=-176.0,r2=-166.0,r3=-161.0,r4=-151.0,
       rk2=50,rk3=50,&end
 &rst  iat=342,341,346,347,r1=-53.0,r2=-43.0,r3=-38.0,r4=-28.0,&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

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