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
650539 6m6k cing 1-original 2 AMBER stereochemistry chirality


#
# Chirality
#  chirality for residue 1 atoms:  C2' O4' N1 H1'
 &rst iat=25,8,11,10, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 200., rk3=200.,  &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=55,38,41,40, &end
#
#  chirality for residue 2 atoms:  C3' C1' H2'1 H2'2
 &rst iat=53,39,56,57, &end
#
#  chirality for residue 2 atoms:  O3' C2' C4' H3'
 &rst iat=58,55,36,54, &end
#
#  chirality for residue 2 atoms:  C3' C5' O4' H4'
 &rst iat=53,33,38,37, &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=87,68,71,70, &end
#
#  chirality for residue 3 atoms:  C3' C1' H2'1 H2'2
 &rst iat=85,69,88,89, &end
#
#  chirality for residue 3 atoms:  O3' C2' C4' H3'
 &rst iat=90,87,66,86, &end
#
#  chirality for residue 3 atoms:  C3' C5' O4' H4'
 &rst iat=85,63,68,67, &end
#
#  chirality for residue 3 atoms:  C4' O5' H5'1 H5'2
 &rst iat=66,62,64,65, &end
#
#  chirality for residue 4 atoms:  C2' O4' N9 H1'
 &rst iat=120,100,103,102, &end
#
#  chirality for residue 4 atoms:  C3' C1' H2'1 H2'2
 &rst iat=118,101,121,122, &end
#
#  chirality for residue 4 atoms:  O3' C2' C4' H3'
 &rst iat=123,120,98,119, &end
#
#  chirality for residue 4 atoms:  C3' C5' O4' H4'
 &rst iat=118,95,100,99, &end
#
#  chirality for residue 4 atoms:  C4' O5' H5'1 H5'2
 &rst iat=98,94,96,97, &end
#
#  chirality for residue 6 atoms:  C2' O4' N1 H1'
 &rst iat=169,152,155,154, &end
#
#  chirality for residue 6 atoms:  C3' C1' H2'1 H2'2
 &rst iat=167,153,170,171, &end
#
#  chirality for residue 6 atoms:  O3' C2' C4' H3'
 &rst iat=172,169,150,168, &end
#
#  chirality for residue 6 atoms:  C3' C5' O4' H4'
 &rst iat=167,147,152,151, &end
#
#  chirality for residue 6 atoms:  C4' O5' H5'1 H5'2
 &rst iat=150,146,148,149, &end
#
#  chirality for residue 7 atoms:  C2' O4' N1 H1'
 &rst iat=199,182,185,184, &end
#
#  chirality for residue 7 atoms:  C3' C1' H2'1 H2'2
 &rst iat=197,183,200,201, &end
#
#  chirality for residue 7 atoms:  O3' C2' C4' H3'
 &rst iat=202,199,180,198, &end
#
#  chirality for residue 7 atoms:  C3' C5' O4' H4'
 &rst iat=197,177,182,181, &end
#
#  chirality for residue 7 atoms:  C4' O5' H5'1 H5'2
 &rst iat=180,176,178,179, &end
#
#  chirality for residue 8 atoms:  C2' O4' N1 H1'
 &rst iat=231,212,215,214, &end
#
#  chirality for residue 8 atoms:  C3' C1' H2'1 H2'2
 &rst iat=229,213,232,233, &end
#
#  chirality for residue 8 atoms:  O3' C2' C4' H3'
 &rst iat=234,231,210,230, &end
#
#  chirality for residue 8 atoms:  C3' C5' O4' H4'
 &rst iat=229,207,212,211, &end
#
#  chirality for residue 8 atoms:  C4' O5' H5'1 H5'2
 &rst iat=210,206,208,209, &end
#
#  chirality for residue 9 atoms:  C2' O4' N9 H1'
 &rst iat=264,244,247,246, &end
#
#  chirality for residue 9 atoms:  C3' C1' H2'1 H2'2
 &rst iat=262,245,265,266, &end
#
#  chirality for residue 9 atoms:  O3' C2' C4' H3'
 &rst iat=267,264,242,263, &end
#
#  chirality for residue 9 atoms:  C3' C5' O4' H4'
 &rst iat=262,239,244,243, &end
#
#  chirality for residue 9 atoms:  C4' O5' H5'1 H5'2
 &rst iat=242,238,240,241, &end
#
# Manually input chirality rst for X5.
#  chirality for residue 5 atoms:  C2' O4' H1'2 H1'1
 &rst iat=139,133,136,135, &end
#
#  chirality for residue 5 atoms:  C3' C1' H2'1 H2'2
 &rst iat=137,134,140,141, &end
#
#  chirality for residue 5 atoms:  O3' C2' C4' H3'
 &rst iat=142,139,131,138, &end
#
#  chirality for residue 5 atoms:  C3' C5' O4' H4'
 &rst iat=137,128,133,132, &end
#
#  chirality for residue 5 atoms:  C4' O5' H5'1 H5'2
 &rst iat=131,127,129,130, &end
#
#


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