NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
10487 |
1pu1   |
5704 | cing | 1-original | 2 | AMBER | distance | hydrogen bond | simple |
# H-BONDS restraints
# 10 ASP- O 14 ILE HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 162, 210, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 10 ASP- O 14 ILE N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 162, 209, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 11 LEU O 15 SER HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 181, 229, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 11 LEU O 15 SER N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 181, 228, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 13 GLU- O 17 PHE HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 208, 251, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 13 GLU- O 17 PHE N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 208, 250, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 14 ILE O 18 LEU HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 227, 271, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 14 ILE O 18 LEU N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 227, 270, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 17 PHE O 21 THR HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 269, 321, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 17 PHE O 21 THR N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 269, 320, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 18 LEU O 22 ILE HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 288, 335, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 18 LEU O 22 ILE N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 288, 334, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 19 HIS O 23 SER HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 305, 354, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 19 HIS O 23 SER N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 305, 353, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 20 ASN O 24 ASP- HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 319, 365, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 20 ASN O 24 ASP- N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 319, 364, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 21 THR O 25 PHE HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 333, 377, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 21 THR O 25 PHE N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 333, 376, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 22 ILE O 26 ILE HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 352, 397, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 22 ILE O 26 ILE N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 352, 396, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 23 SER O 27 LEU HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 363, 416, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 23 SER O 27 LEU N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 363, 415, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 24 ASP- O 28 LYS+ HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 375, 435, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 24 ASP- O 28 LYS+ N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 375, 434, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 25 PHE O 29 ARG+ HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 395, 457, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 25 PHE O 29 ARG+ N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 395, 456, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 37 ASP- O 59 TYR HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 600, 937, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 37 ASP- O 59 TYR N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 600, 936, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 39 ASP- O 57 GLU- HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 631, 903, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 39 ASP- O 57 GLU- N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 631, 902, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 41 THR O 55 SER HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 664, 882, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 41 THR O 55 SER N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 664, 881, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 43 LEU O 53 ASP- HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 699, 851, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 43 LEU O 53 ASP- N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 699, 850, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 45 GLU- O 51 LYS+ HN 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 730, 813, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 45 GLU- O 51 LYS+ N 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 730, 812, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 45 GLU- HN 51 LYS+ O 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 717, 833, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 45 GLU- N 51 LYS+ O 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 716, 833, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 41 THR HN 55 SER O 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 652, 891, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 41 THR N 55 SER O 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 651, 891, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 39 ASP- HN 57 GLU- O 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 621, 916, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 39 ASP- N 57 GLU- O 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 620, 916, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
#
# 37 ASP- HN 59 TYR O 1.80 2.40
&rst
ixpk= 0, nxpk= 0, iat= 590, 956, r1= 1.30, r2= 1.80, r3= 2.40, r4= 2.90, &end
#
# 37 ASP- N 59 TYR O 2.70 3.20
&rst
ixpk= 0, nxpk= 0, iat= 589, 956, r1= 2.20, r2= 2.70, r3= 3.20, r4= 3.70, &end
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