NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype
626441 5nyt 34136 cing 1-original 3 AMBER stereochemistry chirality


#  chirality for residue 1 atoms:  C2' O4' N1 H1'
 &rst iat=27,8,11,10, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 1000, rk3=1000,  &end
bad constraint for residue 1 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 1 atoms:  O3' C2' C4' H3'
 &rst iat=30,27,6,26, &end
#
#  chirality for residue 1 atoms:  C3' C5' O4' H4'
 &rst iat=25,3,8,7, &end
bad constraint for residue 1 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 2 atoms:  C2' O4' N9 H1'
 &rst iat=59,40,43,42, &end
bad constraint for residue 2 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 2 atoms:  O3' C2' C4' H3'
 &rst iat=62,59,38,58, &end
#
#  chirality for residue 2 atoms:  C3' C5' O4' H4'
 &rst iat=57,35,40,39, &end
bad constraint for residue 2 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 3 atoms:  C2' O4' N9 H1'
 &rst iat=92,72,75,74, &end
bad constraint for residue 3 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 3 atoms:  O3' C2' C4' H3'
 &rst iat=95,92,70,91, &end
#
#  chirality for residue 3 atoms:  C3' C5' O4' H4'
 &rst iat=90,67,72,71, &end
bad constraint for residue 3 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 4 atoms:  C2' O4' N9 H1'
 &rst iat=125,105,108,107, &end
bad constraint for residue 4 atoms:  C3' C1' H2'1 H2'2
#
#  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
bad constraint for residue 4 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 5 atoms:  C2' O4' N9 H1'
 &rst iat=158,138,141,140, &end
bad constraint for residue 5 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 5 atoms:  O3' C2' C4' H3'
 &rst iat=161,158,136,157, &end
#
#  chirality for residue 5 atoms:  C3' C5' O4' H4'
 &rst iat=156,133,138,137, &end
bad constraint for residue 5 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 6 atoms:  C2' O4' N9 H1'
 &rst iat=190,171,174,173, &end
bad constraint for residue 6 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 6 atoms:  O3' C2' C4' H3'
 &rst iat=193,190,169,189, &end
#
#  chirality for residue 6 atoms:  C3' C5' O4' H4'
 &rst iat=188,166,171,170, &end
bad constraint for residue 6 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 7 atoms:  C2' O4' N1 H1'
 &rst iat=220,203,206,205, &end
bad constraint for residue 7 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 7 atoms:  O3' C2' C4' H3'
 &rst iat=223,220,201,219, &end
#
#  chirality for residue 7 atoms:  C3' C5' O4' H4'
 &rst iat=218,198,203,202, &end
bad constraint for residue 7 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 8 atoms:  C2' O4' N9 H1'
 &rst iat=253,233,236,235, &end
bad constraint for residue 8 atoms:  C3' C1' H2'1 H2'2
#
#  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
bad constraint for residue 8 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 9 atoms:  C2' O4' N9 H1'
 &rst iat=286,266,269,268, &end
bad constraint for residue 9 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 9 atoms:  O3' C2' C4' H3'
 &rst iat=289,286,264,285, &end
#
#  chirality for residue 9 atoms:  C3' C5' O4' H4'
 &rst iat=284,261,266,265, &end
bad constraint for residue 9 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 10 atoms:  C2' O4' N9 H1'
 &rst iat=319,299,302,301, &end
bad constraint for residue 10 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 10 atoms:  O3' C2' C4' H3'
 &rst iat=322,319,297,318, &end
#
#  chirality for residue 10 atoms:  C3' C5' O4' H4'
 &rst iat=317,294,299,298, &end
bad constraint for residue 10 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 11 atoms:  C2' O4' N1 H1'
 &rst iat=349,332,335,334, &end
bad constraint for residue 11 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 11 atoms:  O3' C2' C4' H3'
 &rst iat=352,349,330,348, &end
#
#  chirality for residue 11 atoms:  C3' C5' O4' H4'
 &rst iat=347,327,332,331, &end
bad constraint for residue 11 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 12 atoms:  C2' O4' N9 H1'
 &rst iat=382,362,365,364, &end
bad constraint for residue 12 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 12 atoms:  O3' C2' C4' H3'
 &rst iat=385,382,360,381, &end
#
#  chirality for residue 12 atoms:  C3' C5' O4' H4'
 &rst iat=380,357,362,361, &end
bad constraint for residue 12 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 13 atoms:  C2' O4' N9 H1'
 &rst iat=415,395,398,397, &end
bad constraint for residue 13 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 13 atoms:  O3' C2' C4' H3'
 &rst iat=418,415,393,414, &end
#
#  chirality for residue 13 atoms:  C3' C5' O4' H4'
 &rst iat=413,390,395,394, &end
bad constraint for residue 13 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 14 atoms:  C2' O4' N9 H1'
 &rst iat=448,428,431,430, &end
bad constraint for residue 14 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 14 atoms:  O3' C2' C4' H3'
 &rst iat=451,448,426,447, &end
#
#  chirality for residue 14 atoms:  C3' C5' O4' H4'
 &rst iat=446,423,428,427, &end
bad constraint for residue 14 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 15 atoms:  C2' O4' N1 H1'
 &rst iat=478,461,464,463, &end
bad constraint for residue 15 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 15 atoms:  O3' C2' C4' H3'
 &rst iat=481,478,459,477, &end
#
#  chirality for residue 15 atoms:  C3' C5' O4' H4'
 &rst iat=476,456,461,460, &end
bad constraint for residue 15 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 16 atoms:  C2' O4' N9 H1'
 &rst iat=510,491,494,493, &end
bad constraint for residue 16 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 16 atoms:  O3' C2' C4' H3'
 &rst iat=513,510,489,509, &end
#
#  chirality for residue 16 atoms:  C3' C5' O4' H4'
 &rst iat=508,486,491,490, &end
bad constraint for residue 16 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 17 atoms:  C2' O4' N9 H1'
 &rst iat=543,523,526,525, &end
bad constraint for residue 17 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 17 atoms:  O3' C2' C4' H3'
 &rst iat=546,543,521,542, &end
#
#  chirality for residue 17 atoms:  C3' C5' O4' H4'
 &rst iat=541,518,523,522, &end
bad constraint for residue 17 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 18 atoms:  C2' O4' N9 H1'
 &rst iat=576,556,559,558, &end
bad constraint for residue 18 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 18 atoms:  O3' C2' C4' H3'
 &rst iat=579,576,554,575, &end
#
#  chirality for residue 18 atoms:  C3' C5' O4' H4'
 &rst iat=574,551,556,555, &end
bad constraint for residue 18 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 19 atoms:  C2' O4' N9 H1'
 &rst iat=609,589,592,591, &end
bad constraint for residue 19 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 19 atoms:  O3' C2' C4' H3'
 &rst iat=612,609,587,608, &end
#
#  chirality for residue 19 atoms:  C3' C5' O4' H4'
 &rst iat=607,584,589,588, &end
bad constraint for residue 19 atoms:  C4' O5' H5'1 H5'2
#
#  chirality for residue 20 atoms:  C2' O4' N1 H1'
 &rst iat=641,622,625,624, &end
bad constraint for residue 20 atoms:  C3' C1' H2'1 H2'2
#
#  chirality for residue 20 atoms:  O3' C2' C4' H3'
 &rst iat=644,641,620,640, &end
#
#  chirality for residue 20 atoms:  C3' C5' O4' H4'
 &rst iat=639,617,622,621, &end
bad constraint for residue 20 atoms:  C4' O5' H5'1 H5'2


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