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
	655552	7d0y	cing	1-original	6	AMBER	stereochemistry	chirality

# Chirality restraints on deoxyribose carbon atoms
# restraints for T3, G4, C5, T7 and G8 were generated by amber.
#  chirality for residue 3 atoms:  C2' O4' N1 H1'
 &rst iat=92,73,76,75, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 1000., rk3=1000.,  &end
#
#  chirality for residue 3 atoms:  C3' C1' H2'1 H2'2
 &rst iat=90,74,93,94, &end
#
#  chirality for residue 3 atoms:  O3' C2' C4' H3'
 &rst iat=95,92,71,91, &end
#
#  chirality for residue 3 atoms:  C3' C5' O4' H4'
 &rst iat=90,68,73,72, &end
#
#  chirality for residue 3 atoms:  C4' O5' H5'1 H5'2
 &rst iat=71,67,69,70, &end
#
#  chirality for residue 4 atoms:  C2' O4' N9 H1'
 &rst iat=125,105,108,107, &end
#
#  chirality for residue 4 atoms:  C3' C1' H2'1 H2'2
 &rst iat=123,106,126,127, &end
#
#  chirality for residue 4 atoms:  O3' C2' C4' H3'
 &rst iat=128,125,103,124, &end
#
#  chirality for residue 4 atoms:  C3' C5' O4' H4'
 &rst iat=123,100,105,104, &end
#
#  chirality for residue 4 atoms:  C4' O5' H5'1 H5'2
 &rst iat=103,99,101,102, &end
#
#  chirality for residue 5 atoms:  C2' O4' N1 H1'
 &rst iat=155,138,141,140, &end
#
#  chirality for residue 5 atoms:  C3' C1' H2'1 H2'2
 &rst iat=153,139,156,157, &end
#
#  chirality for residue 5 atoms:  O3' C2' C4' H3'
 &rst iat=158,155,136,154, &end
#
#  chirality for residue 5 atoms:  C3' C5' O4' H4'
 &rst iat=153,133,138,137, &end
#
#  chirality for residue 5 atoms:  C4' O5' H5'1 H5'2
 &rst iat=136,132,134,135, &end
#
#  chirality for residue 7 atoms:  C2' O4' N1 H1'
 &rst iat=220,201,204,203, &end
#
#  chirality for residue 7 atoms:  C3' C1' H2'1 H2'2
 &rst iat=218,202,221,222, &end
#
#  chirality for residue 7 atoms:  O3' C2' C4' H3'
 &rst iat=223,220,199,219, &end
#
#  chirality for residue 7 atoms:  C3' C5' O4' H4'
 &rst iat=218,196,201,200, &end
#
#  chirality for residue 7 atoms:  C4' O5' H5'1 H5'2
 &rst iat=199,195,197,198, &end
#
#  chirality for residue 8 atoms:  C2' O4' N9 H1'
 &rst iat=253,233,236,235, &end
#
#  chirality for residue 8 atoms:  C3' C1' H2'1 H2'2
 &rst iat=251,234,254,255, &end
#
#  chirality for residue 8 atoms:  O3' C2' C4' H3'
 &rst iat=256,253,231,252, &end
#
#  chirality for residue 8 atoms:  C3' C5' O4' H4'
 &rst iat=251,228,233,232, &end
#
#  chirality for residue 8 atoms:  C4' O5' H5'1 H5'2
 &rst iat=231,227,229,230, &end
#
# Manually input chirality restraints for C1+, mC2+ and mC6.
#  chirality for residue 1 atoms:  C2' O4' N1 H1'
 &rst iat=25,8,11,10, &end
#
#  chirality for residue 1 atoms:  C3' C1' H2'1 H2'2
 &rst iat=23,9,26,27, &end
#
#  chirality for residue 1 atoms:  O3' C2' C4' H3'
 &rst iat=28,25,6,24, &end
#
#  chirality for residue 1 atoms:  C3' C5' O4' H4'
 &rst iat=23,3,8,7, &end
#
#  chirality for residue 1 atoms:  C4' O5' H5'1 H5'2
 &rst iat=6,2,4,5, &end
#
#  chirality for residue 2 atoms:  C2' O4' N1 H1'
 &rst iat=55,39,42,41, &end
#
#  chirality for residue 2 atoms:  C3' C1' H2'1 H2'2
 &rst iat=53,40,56,57, &end
#
#  chirality for residue 2 atoms:  O3' C2' C4' H3'
 &rst iat=58,55,37,54, &end
#
#  chirality for residue 2 atoms:  C3' C5' O4' H4'
 &rst iat=53,34,39,38, &end
#
#  chirality for residue 2 atoms:  C4' O5' H5'1 H5'2
 &rst iat=37,33,35,36, &end
#
#  chirality for residue 6 atoms:  C2' O4' N1 H1'
 &rst iat=184,168,171,170, &end
#
#  chirality for residue 6 atoms:  C3' C1' H2'1 H2'2
 &rst iat=182,169,185,186, &end
#
#  chirality for residue 6 atoms:  O3' C2' C4' H3'
 &rst iat=187,184,166,183, &end
#
#  chirality for residue 6 atoms:  C3' C5' O4' H4'
 &rst iat=182,163,168,167, &end
#
#  chirality for residue 6 atoms:  C4' O5' H5'1 H5'2
 &rst iat=166,162,164,165, &end
#

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