NMR Restraints Grid

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

image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype	subsubtype
	13413	1uqc	cing	1-original	3	AMBER	distance	hydrogen bond	simple

# H-bond distance C1-G12, rk2, rk3 = 50% of kdist (10) = 5
 &rst iat=17,363,-1,-1,iresid=0,r1=0,r2=2.81,r3=3.01,r4=3.31,
                                rk2=5,rk3=5,&end
 &rst iat=20,364,r1=0,r2=2.85,r3=3.05,r4=3.35,&end
 &rst iat=22,367,r1=0,r2=2.76,r3=2.96,r4=3.26,&end
# H-bond distance A2-A11
 &rst iat=47,334,-1,-1,r1=0,r2=2.85,r3=3.05,r4=3.35,&end
 &rst iat=50,335,-1,-1,r1=0,r2=2.72,r3=2.92,r4=3.22,&end
# H-bond distance C3-G10
 &rst iat=79,298,-1,-1,r1=0,r2=2.81,r3=3.01,r4=3.31,&end
 &rst iat=82,299,-1,-1,r1=0,r2=2.85,r3=3.05,r4=3.35,&end
 &rst iat=84,302,-1,-1,r1=0,r2=2.76,r3=2.96,r4=3.26,&end
# H-bond distance G4-C9
 &rst iat=109,268,-1,-1,r1=0,r2=2.81,r3=3.01,r4=3.31,&end
 &rst iat=110,271,-1,-1,r1=0,r2=2.85,r3=3.05,r4=3.35,&end
 &rst iat=113,273,-1,-1,r1=0,r2=2.76,r3=2.96,r4=3.26,&end
# H-bond distance T5-T8
 &rst iat=145,236,-1,-1,r1=0,r2=2.85,r3=3.05,r4=3.35,&end
 &rst iat=146,239,-1,-1,r1=0,r2=2.72,r3=2.92,r4=3.22,&end
# H-bond distance G6-C7
 &rst iat=174,206,-1,-1,r1=0,r2=2.81,r3=3.01,r4=3.31,&end
 &rst iat=175,209,-1,-1,r1=0,r2=2.85,r3=3.05,r4=3.35,&end
 &rst iat=178,211,-1,-1,r1=0,r2=2.76,r3=2.96,r4=3.26,&end

# assume 'with parabolic regions continuing on either side for 20 degree'
# means r1=r2-20, r4=r3+20, rk2, rk3 = 50 % of kdist (10) = 5
# H-bond angle C1-G12
 &rst iat=17,18,363,-1,iresid=0,r1=150,r2=170,r3=190,r4=210,
                                rk2=5,rk3=5,&end
 &rst iat=20,365,364,-1,r2=170,r3=190,&end
 &rst iat=22,368,367,-1,r2=170,r3=190,&end
# H-bond angle A2-A11
 &rst iat=47,48,334,-1,r2=170,r3=190,&end
 &rst iat=50,336,335,-1,r2=170,r3=190,&end
# H-bond angle C3-G10
 &rst iat=79,80,298,-1,r2=170,r3=190,&end
 &rst iat=82,300,299,-1,r2=170,r3=190,&end
 &rst iat=84,303,302,-1,r2=170,r3=190,&end
# H-bond angle G4-C9
 &rst iat=109,269,268,-1,r2=170,r3=190,&end
 &rst iat=110,111,271,-1,r2=170,r3=190,&end
 &rst iat=113,114,273,-1,r2=170,r3=190,&end
# H-bond angle T5-T8
 &rst iat=145,237,236,-1,r2=170,r3=190,&end
 &rst iat=146,147,239,-1,r2=170,r3=190,&end
# H-bond angle G6-C7
 &rst iat=174,207,206,-1,r2=170,r3=190,&end
 &rst iat=175,176,209,-1,r2=170,r3=190,&end
 &rst iat=178,179,211,-1,r2=170,r3=190,&end

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