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
630393 5oph 34168 cing 1-original 3 AMBER stereochemistry chirality


# makeCHI_RST in amber
#
#
#
#
#
#  chirality for residue 1 atoms:  C2' O4' N9 H1'
 &rst iat=28,8,11,10, 
   r1=10., r2=60., r3=80., r4=130., rk2 = 10., rk3=10.,  &end
#
#  chirality for residue 1 atoms:  C3' C1' H2' H2''
 &rst iat=26,9,29,30, &end
#
#  chirality for residue 1 atoms:  O3' C2' C4' H3'
 &rst iat=31,28,6,27, &end
#
#  chirality for residue 1 atoms:  C3' C5' O4' H4'
 &rst iat=26,3,8,7, &end
#
#  chirality for residue 1 atoms:  C4' O5' H5' H5''
 &rst iat=6,2,4,5, &end
#
#  chirality for residue 2 atoms:  C2' O4' N9 H1'
 &rst iat=61,41,44,43, &end
#
#  chirality for residue 2 atoms:  C3' C1' H2' H2''
 &rst iat=59,42,62,63, &end
#
#  chirality for residue 2 atoms:  O3' C2' C4' H3'
 &rst iat=64,61,39,60, &end
#
#  chirality for residue 2 atoms:  C3' C5' O4' H4'
 &rst iat=59,36,41,40, &end
#
#  chirality for residue 2 atoms:  C4' O5' H5' H5''
 &rst iat=39,35,37,38, &end
#
#  chirality for residue 3 atoms:  C2' O4' N9 H1'
 &rst iat=94,74,77,76, &end
#
#  chirality for residue 3 atoms:  C3' C1' H2' H2''
 &rst iat=92,75,95,96, &end
#
#  chirality for residue 3 atoms:  O3' C2' C4' H3'
 &rst iat=97,94,72,93, &end
#
#  chirality for residue 3 atoms:  C3' C5' O4' H4'
 &rst iat=92,69,74,73, &end
#
#  chirality for residue 3 atoms:  C4' O5' H5' H5''
 &rst iat=72,68,70,71, &end
#
#  chirality for residue 4 atoms:  C2' O4' N9 H1'
 &rst iat=127,107,110,109, &end
#
#  chirality for residue 4 atoms:  C3' C1' H2' H2''
 &rst iat=125,108,128,129, &end
#
#  chirality for residue 4 atoms:  O3' C2' C4' H3'
 &rst iat=130,127,105,126, &end
#
#  chirality for residue 4 atoms:  C3' C5' O4' H4'
 &rst iat=125,102,107,106, &end
#
#  chirality for residue 4 atoms:  C4' O5' H5' H5''
 &rst iat=105,101,103,104, &end
#
#  chirality for residue 5 atoms:  C2' O4' N1 H1'
 &rst iat=157,140,143,142, &end
#
#  chirality for residue 5 atoms:  C3' C1' H2' H2''
 &rst iat=155,141,158,159, &end
#
#  chirality for residue 5 atoms:  O3' C2' C4' H3'
 &rst iat=160,157,138,156, &end
#
#  chirality for residue 5 atoms:  C3' C5' O4' H4'
 &rst iat=155,135,140,139, &end
#
#  chirality for residue 5 atoms:  C4' O5' H5' H5''
 &rst iat=138,134,136,137, &end
#
#  chirality for residue 6 atoms:  C2' O4' N1 H1'
 &rst iat=187,170,173,172, &end
#
#  chirality for residue 6 atoms:  C3' C1' H2' H2''
 &rst iat=185,171,188,189, &end
#
#  chirality for residue 6 atoms:  O3' C2' C4' H3'
 &rst iat=190,187,168,186, &end
#
#  chirality for residue 6 atoms:  C3' C5' O4' H4'
 &rst iat=185,165,170,169, &end
#
#  chirality for residue 6 atoms:  C4' O5' H5' H5''
 &rst iat=168,164,166,167, &end
#
#  chirality for residue 7 atoms:  C2' O4' N9 H1'
 &rst iat=220,200,203,202, &end
#
#  chirality for residue 7 atoms:  C3' C1' H2' H2''
 &rst iat=218,201,221,222, &end
#
#  chirality for residue 7 atoms:  O3' C2' C4' H3'
 &rst iat=223,220,198,219, &end
#
#  chirality for residue 7 atoms:  C3' C5' O4' H4'
 &rst iat=218,195,200,199, &end
#
#  chirality for residue 7 atoms:  C4' O5' H5' H5''
 &rst iat=198,194,196,197, &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' H2''
 &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' H5''
 &rst iat=231,227,229,230, &end
#
#  chirality for residue 9 atoms:  C2' O4' N9 H1'
 &rst iat=286,266,269,268, &end
#
#  chirality for residue 9 atoms:  C3' C1' H2' H2''
 &rst iat=284,267,287,288, &end
#
#  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
#
#  chirality for residue 9 atoms:  C4' O5' H5' H5''
 &rst iat=264,260,262,263, &end
#
#  chirality for residue 10 atoms:  C2' O4' N9 H1'
 &rst iat=319,299,302,301, &end
#
#  chirality for residue 10 atoms:  C3' C1' H2' H2''
 &rst iat=317,300,320,321, &end
#
#  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
#
#  chirality for residue 10 atoms:  C4' O5' H5' H5''
 &rst iat=297,293,295,296, &end
#
#  chirality for residue 11 atoms:  C2' O4' N1 H1'
 &rst iat=349,332,335,334, &end
#
#  chirality for residue 11 atoms:  C3' C1' H2' H2''
 &rst iat=347,333,350,351, &end
#
#  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
#
#  chirality for residue 11 atoms:  C4' O5' H5' H5''
 &rst iat=330,326,328,329, &end
#
#  chirality for residue 12 atoms:  C2' O4' N1 H1'
 &rst iat=379,362,365,364, &end
#
#  chirality for residue 12 atoms:  C3' C1' H2' H2''
 &rst iat=377,363,380,381, &end
#
#  chirality for residue 12 atoms:  O3' C2' C4' H3'
 &rst iat=382,379,360,378, &end
#
#  chirality for residue 12 atoms:  C3' C5' O4' H4'
 &rst iat=377,357,362,361, &end
#
#  chirality for residue 12 atoms:  C4' O5' H5' H5''
 &rst iat=360,356,358,359, &end
#
#  chirality for residue 13 atoms:  C2' O4' N9 H1'
 &rst iat=412,392,395,394, &end
#
#  chirality for residue 13 atoms:  C3' C1' H2' H2''
 &rst iat=410,393,413,414, &end
#
#  chirality for residue 13 atoms:  O3' C2' C4' H3'
 &rst iat=415,412,390,411, &end
#
#  chirality for residue 13 atoms:  C3' C5' O4' H4'
 &rst iat=410,387,392,391, &end
#
#  chirality for residue 13 atoms:  C4' O5' H5' H5''
 &rst iat=390,386,388,389, &end
#
#  chirality for residue 14 atoms:  C2' O4' N9 H1'
 &rst iat=445,425,428,427, &end
#
#  chirality for residue 14 atoms:  C3' C1' H2' H2''
 &rst iat=443,426,446,447, &end
#
#  chirality for residue 14 atoms:  O3' C2' C4' H3'
 &rst iat=448,445,423,444, &end
#
#  chirality for residue 14 atoms:  C3' C5' O4' H4'
 &rst iat=443,420,425,424, &end
#
#  chirality for residue 14 atoms:  C4' O5' H5' H5''
 &rst iat=423,419,421,422, &end
#
#  chirality for residue 15 atoms:  C2' O4' N9 H1'
 &rst iat=478,458,461,460, &end
#
#  chirality for residue 15 atoms:  C3' C1' H2' H2''
 &rst iat=476,459,479,480, &end
#
#  chirality for residue 15 atoms:  O3' C2' C4' H3'
 &rst iat=481,478,456,477, &end
#
#  chirality for residue 15 atoms:  C3' C5' O4' H4'
 &rst iat=476,453,458,457, &end
#
#  chirality for residue 15 atoms:  C4' O5' H5' H5''
 &rst iat=456,452,454,455, &end
#
#  chirality for residue 16 atoms:  C2' O4' N9 H1'
 &rst iat=511,491,494,493, &end
#
#  chirality for residue 16 atoms:  C3' C1' H2' H2''
 &rst iat=509,492,512,513, &end
#
#  chirality for residue 16 atoms:  O3' C2' C4' H3'
 &rst iat=514,511,489,510, &end
#
#  chirality for residue 16 atoms:  C3' C5' O4' H4'
 &rst iat=509,486,491,490, &end
#
#  chirality for residue 16 atoms:  C4' O5' H5' H5''
 &rst iat=489,485,487,488, &end
#
#  chirality for residue 17 atoms:  C2' O4' N1 H1'
 &rst iat=541,524,527,526, &end
#
#  chirality for residue 17 atoms:  C3' C1' H2' H2''
 &rst iat=539,525,542,543, &end
#
#  chirality for residue 17 atoms:  O3' C2' C4' H3'
 &rst iat=544,541,522,540, &end
#
#  chirality for residue 17 atoms:  C3' C5' O4' H4'
 &rst iat=539,519,524,523, &end
#
#  chirality for residue 17 atoms:  C4' O5' H5' H5''
 &rst iat=522,518,520,521, &end
#
#  chirality for residue 18 atoms:  C2' O4' N1 H1'
 &rst iat=571,554,557,556, &end
#
#  chirality for residue 18 atoms:  C3' C1' H2' H2''
 &rst iat=569,555,572,573, &end
#
#  chirality for residue 18 atoms:  O3' C2' C4' H3'
 &rst iat=574,571,552,570, &end
#
#  chirality for residue 18 atoms:  C3' C5' O4' H4'
 &rst iat=569,549,554,553, &end
#
#  chirality for residue 18 atoms:  C4' O5' H5' H5''
 &rst iat=552,548,550,551, &end
#
#  chirality for residue 19 atoms:  C2' O4' N9 H1'
 &rst iat=604,584,587,586, &end
#
#  chirality for residue 19 atoms:  C3' C1' H2' H2''
 &rst iat=602,585,605,606, &end
#
#  chirality for residue 19 atoms:  O3' C2' C4' H3'
 &rst iat=607,604,582,603, &end
#
#  chirality for residue 19 atoms:  C3' C5' O4' H4'
 &rst iat=602,579,584,583, &end
#
#  chirality for residue 19 atoms:  C4' O5' H5' H5''
 &rst iat=582,578,580,581, &end
#
#  chirality for residue 20 atoms:  C2' O4' N9 H1'
 &rst iat=637,617,620,619, &end
#
#  chirality for residue 20 atoms:  C3' C1' H2' H2''
 &rst iat=635,618,638,639, &end
#
#  chirality for residue 20 atoms:  O3' C2' C4' H3'
 &rst iat=640,637,615,636, &end
#
#  chirality for residue 20 atoms:  C3' C5' O4' H4'
 &rst iat=635,612,617,616, &end
#
#  chirality for residue 20 atoms:  C4' O5' H5' H5''
 &rst iat=615,611,613,614, &end
#
#  chirality for residue 21 atoms:  C2' O4' N9 H1'
 &rst iat=670,650,653,652, &end
#
#  chirality for residue 21 atoms:  C3' C1' H2' H2''
 &rst iat=668,651,671,672, &end
#
#  chirality for residue 21 atoms:  O3' C2' C4' H3'
 &rst iat=673,670,648,669, &end
#
#  chirality for residue 21 atoms:  C3' C5' O4' H4'
 &rst iat=668,645,650,649, &end
#
#  chirality for residue 21 atoms:  C4' O5' H5' H5''
 &rst iat=648,644,646,647, &end
#
#  chirality for residue 22 atoms:  C2' O4' N9 H1'
 &rst iat=703,683,686,685, &end
#
#  chirality for residue 22 atoms:  C3' C1' H2' H2''
 &rst iat=701,684,704,705, &end
#
#  chirality for residue 22 atoms:  O3' C2' C4' H3'
 &rst iat=706,703,681,702, &end
#
#  chirality for residue 22 atoms:  C3' C5' O4' H4'
 &rst iat=701,678,683,682, &end
#
#  chirality for residue 22 atoms:  C4' O5' H5' H5''
 &rst iat=681,677,679,680, &end
#
#
#
#
#


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