NMR Restraints Grid

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

image	mrblock_id	pdb_id	cing	stage	position	program	type
	13421	1uqd	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=-164.7,r2=-154.7,r3=-149.7,r4=-139.7,
       rk2=50,rk3=50,&end
 &rst  iat=195,212,217,218,r1=-164.7,r2=-154.7,r3=-149.7,r4=-139.7,&end
 &rst  iat=24,23,28,29,r1=-43.0,r2=-33.0,r3=-28.0,r4=-18.0,&end
 &rst  iat=213,212,217,218,r1=-43.0,r2=-33.0,r3=-28.0,r4=-18.0,&end
# from G2 and G8   =================================================
 &rst  iat=29,32,33,36,r1=145.7,r2=155.7,r3=160.7,r4=170.7,
       rk2=50,rk3=50,&end
 &rst  iat=36,56,61,62,r1=-170.7,r2=-160.7,r3=-155.7,r4=-145.7,
       rk2=50,rk3=50,&end
 &rst  iat=57,56,61,62,r1=-50.7,r2=-40.7,r3=-35.7,r4=-25.7,&end
 &rst  iat=218,221,222,225,r1=145.7,r2=155.7,r3=160.7,r4=170.7,
       rk2=50,rk3=50,&end
 &rst  iat=225,245,250,251,r1=-170.7,r2=-160.7,r3=-155.7,r4=-145.7,
       rk2=50,rk3=50,&end
 &rst  iat=246,245,250,251,r1=-50.7,r2=-40.7,r3=-35.7,r4=-25.7,&end
# from A3 and A9   =================================================
 &rst  iat=62,65,66,69,r1=155.1,r2=165.1,r3=170.1,r4=180.1,
       rk2=50,rk3=50,&end
 &rst  iat=69,88,93,94,r1=-180.1,r2=-170.1,r3=-165.1,r4=-155.1,
       rk2=50,rk3=50,&end
 &rst  iat=89,88,93,94,r1=-60.8,r2=-50.8,r3=-45.8,r4=-35.8,&end
 &rst  iat=251,254,255,258,r1=155.1,r2=165.1,r3=170.1,r4=180.1,
       rk2=50,rk3=50,&end
 &rst  iat=258,277,282,283,r1=-180.1,r2=-170.1,r3=-165.1,r4=-155.1,
       rk2=50,rk3=50,&end
 &rst  iat=278,277,282,283,r1=-60.8,r2=-50.8,r3=-45.8,r4=-35.8,&end
# from T4 and T10   =================================================
 &rst  iat=94,97,98,101,r1=147.6,r2=157.6,r3=162.6,r4=172.6,
       rk2=50,rk3=50,&end
 &rst  iat=101,120,125,126,r1=-172.6,r2=-162.6,r3=-157.6,r4=-147.6,
       rk2=50,rk3=50,&end
 &rst  iat=121,120,125,126,r1=-50.0,r2=-40.0,r3=-35.0,r4=-25.0,&end
 &rst  iat=283,286,287,290,r1=147.6,r2=157.6,r3=162.6,r4=172.6,
       rk2=50,rk3=50,&end
 &rst  iat=290,309,314,315,r1=-172.6,r2=-162.6,r3=-157.6,r4=-147.6,
       rk2=50,rk3=50,&end
 &rst  iat=310,309,314,315,r1=-50.0,r2=-40.0,r3=-35.0,r4=-25.0,&end
# from C5 and C11   =================================================
 &rst  iat=126,129,130,133,r1=149.8,r2=159.8,r3=164.8,r4=174.8,
       rk2=50,rk3=50,&end
 &rst  iat=133,150,155,156,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8,
       rk2=50,rk3=50,&end
 &rst  iat=151,150,155,156,r1=-54.8,r2=-44.8,r3=-39.8,r4=-29.8,&end
 &rst  iat=315,318,319,322,r1=149.8,r2=159.8,r3=164.8,r4=174.8,
       rk2=50,rk3=50,&end
 &rst  iat=322,339,344,345,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8,
       rk2=50,rk3=50,&end
 &rst  iat=340,339,344,345,r1=-54.8,r2=-44.8,r3=-39.8,r4=-29.8,&end
# from G6 and G12  ==================================================
 &rst  iat=156,159,160,163,r1=138.1,r2=148.1,r3=153.1,r4=163.1,
       rk2=50,rk3=50,&end
 &rst  iat=345,348,349,352,r1=138.1,r2=148.1,r3=153.1,r4=163.1,
       rk2=50,rk3=50,&end

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