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
655562 7d0z cing 1-original 3 AMBER stereochemistry chirality


#  chirality for residue 1 atoms:  C2' O4' N1 H1'
 &rst iat=26,8,11,10,
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
bad constraint for residue 3 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 1 atoms:  O3' C2' C4' H3'
 &rst iat=29,26,6,25, &end
#
#  chirality for residue 1 atoms:  C3' C5' O4' H4'
 &rst iat=24,3,8,7, &end
bad constraint for residue 3 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 2 atoms:  C2' O4' N1 H1'
 &rst iat=57,39,42,41,
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
bad constraint for residue 3 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 2 atoms:  O3' C2' C4' H3'
 &rst iat=60,57,37,56, &end
#
#  chirality for residue 2 atoms:  C3' C5' O4' H4'
 &rst iat=55,34,39,38, &end
bad constraint for residue 3 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 3 atoms:  C2' O4' N1 H1'
 &rst iat=89,70,73,72, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
bad constraint for residue 3 atoms:  C3' C1' H2'1 H2'2
#
#  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
bad constraint for residue 3 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 4 atoms:  C2' O4' N9 H1'
 &rst iat=122,102,105,104, &end
bad constraint for residue 4 atoms:  C3' C1' H2'1 H2'2
#
#  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
bad constraint for residue 4 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 5 atoms:  C2' O4' N1 H1'
 &rst iat=152,135,138,137, &end
bad constraint for residue 5 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 5 atoms:  O3' C2' C4' H3'
 &rst iat=155,152,133,151, &end
#
#  chirality for residue 5 atoms:  C3' C5' O4' H4'
 &rst iat=150,130,135,134, &end
bad constraint for residue 5 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 6 atoms:  C2' O4' N1 H1'
 &rst iat=182,165,168,167, &end
bad constraint for residue 6 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 6 atoms:  O3' C2' C4' H3'
 &rst iat=185,182,163,181, &end
#
#  chirality for residue 6 atoms:  C3' C5' O4' H4'
 &rst iat=180,160,165,164, &end
bad constraint for residue 6 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 7 atoms:  C2' O4' N1 H1'
 &rst iat=214,195,198,197, &end
bad constraint for residue 7 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 7 atoms:  O3' C2' C4' H3'
 &rst iat=217,214,193,213, &end
#
#  chirality for residue 7 atoms:  C3' C5' O4' H4'
 &rst iat=212,190,195,194, &end
bad constraint for residue 7 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 8 atoms:  C2' O4' N9 H1'
 &rst iat=247,227,230,229, &end
bad constraint for residue 8 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 8 atoms:  O3' C2' C4' H3'
 &rst iat=250,247,225,246, &end
#
#  chirality for residue 8 atoms:  C3' C5' O4' H4'
 &rst iat=245,222,227,226, &end
bad constraint for residue 8 atoms:  C4' O5' H5'1 H5'2



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