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
650531 6m6j cing 1-original 3 AMBER stereochemistry chirality


# chirality
# chirality restraints directly generated by AMBER using makeCHIR_RST.
# Mannually add chir rst for X5.

#  chirality for residue 1 atoms:  C2' O4' N1 H1'
 &rst iat=25,8,11,10, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 500., rk3=500.,  &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=57,38,41,40, &end
#
#  chirality for residue 2 atoms:  C3' C1' H2'1 H2'2
 &rst iat=55,39,58,59, &end
#
#  chirality for residue 2 atoms:  O3' C2' C4' H3'
 &rst iat=60,57,36,56, &end
#
#  chirality for residue 2 atoms:  C3' C5' O4' H4'
 &rst iat=55,33,38,37, &end
#
#  chirality for residue 2 atoms:  C4' O5' H5'1 H5'2
 &rst iat=36,32,34,35, &end
#
#  chirality for residue 3 atoms:  C2' O4' N1 H1'
 &rst iat=89,70,73,72, &end
#
#  chirality for residue 3 atoms:  C3' C1' H2'1 H2'2
 &rst iat=87,71,90,91, &end
#
#  chirality for residue 3 atoms:  O3' C2' C4' H3'
 &rst iat=92,89,68,88, &end
#
#  chirality for residue 3 atoms:  C3' C5' O4' H4'
 &rst iat=87,65,70,69, &end
#
#  chirality for residue 3 atoms:  C4' O5' H5'1 H5'2
 &rst iat=68,64,66,67, &end
#
#  chirality for residue 4 atoms:  C2' O4' N9 H1'
 &rst iat=122,102,105,104, &end
#
#  chirality for residue 4 atoms:  C3' C1' H2'1 H2'2
 &rst iat=120,103,123,124, &end
#
#  chirality for residue 4 atoms:  O3' C2' C4' H3'
 &rst iat=125,122,100,121, &end
#
#  chirality for residue 4 atoms:  C3' C5' O4' H4'
 &rst iat=120,97,102,101, &end
#
#  chirality for residue 4 atoms:  C4' O5' H5'1 H5'2
 &rst iat=100,96,98,99, &end
#
#  chirality for residue 5 atoms:  C2' O4' N9 H1'
 &rst iat=141,135,138,137, &end
#
#  chirality for residue 5 atoms:  C3' C1' H2'1 H2'2
 &rst iat=139,136,142,143, &end
#
#  chirality for residue 5 atoms:  O3' C2' C4' H3'
 &rst iat=144,141,133,140, &end
#
#  chirality for residue 5 atoms:  C3' C5' O4' H4'
 &rst iat=139,130,135,134, &end
#
#  chirality for residue 5 atoms:  C4' O5' H5'1 H5'2
 &rst iat=133,129,131,132, &end
#
#  chirality for residue 6 atoms:  C2' O4' N1 H1'
 &rst iat=171,154,157,156, &end
#
#  chirality for residue 6 atoms:  C3' C1' H2'1 H2'2
 &rst iat=169,155,172,173, &end
#
#  chirality for residue 6 atoms:  O3' C2' C4' H3'
 &rst iat=174,171,152,170, &end
#
#  chirality for residue 6 atoms:  C3' C5' O4' H4'
 &rst iat=169,149,154,153, &end
#
#  chirality for residue 6 atoms:  C4' O5' H5'1 H5'2
 &rst iat=152,148,150,151, &end
#
#  chirality for residue 7 atoms:  C2' O4' N1 H1'
 &rst iat=203,184,187,186, &end
#
#  chirality for residue 7 atoms:  C3' C1' H2'1 H2'2
 &rst iat=201,185,204,205, &end
#
#  chirality for residue 7 atoms:  O3' C2' C4' H3'
 &rst iat=206,203,182,202, &end
#
#  chirality for residue 7 atoms:  C3' C5' O4' H4'
 &rst iat=201,179,184,183, &end
#
#  chirality for residue 7 atoms:  C4' O5' H5'1 H5'2
 &rst iat=182,178,180,181, &end
#
#  chirality for residue 8 atoms:  C2' O4' N1 H1'
 &rst iat=235,216,219,218, &end
#
#  chirality for residue 8 atoms:  C3' C1' H2'1 H2'2
 &rst iat=233,217,236,237, &end
#
#  chirality for residue 8 atoms:  O3' C2' C4' H3'
 &rst iat=238,235,214,234, &end
#
#  chirality for residue 8 atoms:  C3' C5' O4' H4'
 &rst iat=233,211,216,215, &end
#
#  chirality for residue 8 atoms:  C4' O5' H5'1 H5'2
 &rst iat=214,210,212,213, &end
#
#  chirality for residue 9 atoms:  C2' O4' N9 H1'
 &rst iat=268,248,251,250, &end
#
#  chirality for residue 9 atoms:  C3' C1' H2'1 H2'2
 &rst iat=266,249,269,270, &end
#
#  chirality for residue 9 atoms:  O3' C2' C4' H3'
 &rst iat=271,268,246,267, &end
#
#  chirality for residue 9 atoms:  C3' C5' O4' H4'
 &rst iat=266,243,248,247, &end
#
#  chirality for residue 9 atoms:  C4' O5' H5'1 H5'2
 &rst iat=246,242,244,245, &end



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