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 |
|
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569381 |
2m39   |
18950 | cing | 1-original | 3 | AMBER | distance | hydrogen bond | simple |
# H-bond restraints
#
# 2 G48 O6 23 C5L H41 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 61, 969, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,
rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
&end
#
# 2 G48 O6 23 C5L N4 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 61, 968, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 2 G48 H1 23 C5L N3 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 63, 971, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 2 G48 N1 23 C5L N3 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 62, 971, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 2 G48 H21 23 C5L O2 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 66, 973, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 3 C5L H41 22 G48 O6 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 109, 921, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 3 C5L N3 22 G48 H1 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 111, 923, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 3 C5L N3 22 G48 N1 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 111, 922, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 3 C5L N4 22 G48 O6 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 108, 921, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 3 C5L O2 22 G48 H21 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 113, 926, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 4 G48 O6 21 C5L H41 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 149, 881, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 4 G48 O6 21 C5L N4 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 149, 880, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 4 G48 H1 21 C5L N3 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 151, 883, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 4 G48 N1 21 C5L N3 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 150, 883, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 4 G48 H21 21 C5L O2 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 154, 885, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 5 A44 H61 20 T39 O4 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 194, 837, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 5 A44 N1 20 T39 H3 1.71 1.91
&rst
ixpk= 0, nxpk= 0, iat= 196, 839, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, &end
#
# 5 A44 N1 20 T39 N3 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat= 196, 838, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
#
# 6 A44 H61 19 T39 O4 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 237, 794, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 6 A44 N1 19 T39 H3 1.71 1.91
&rst
ixpk= 0, nxpk= 0, iat= 239, 796, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, &end
#
# 6 A44 N1 19 T39 N3 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat= 239, 795, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
#
# 7 T39 H3 18 A44 N1 1.71 1.91
&rst
ixpk= 0, nxpk= 0, iat= 284, 751, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, &end
#
# 7 T39 N3 18 A44 N1 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat= 283, 751, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
#
# 7 T39 O4 18 A44 H61 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 282, 749, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 8 T39 H3 17 A44 N1 1.71 1.91
&rst
ixpk= 0, nxpk= 0, iat= 327, 708, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, &end
#
# 8 T39 N3 17 A44 N1 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat= 326, 708, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
#
# 8 T39 O4 17 A44 H61 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 325, 706, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 9 C5L H41 16 G48 O6 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 369, 661, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 9 C5L N3 16 G48 H1 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 371, 663, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 9 C5L N3 16 G48 N1 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 371, 662, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 9 C5L N4 16 G48 O6 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 368, 661, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 9 C5L O2 16 G48 H21 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 373, 666, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 10 G48 O6 15 C5L H41 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 409, 621, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 10 G48 O6 15 C5L N4 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 409, 620, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 10 G48 H1 15 C5L N3 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 411, 623, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 10 G48 N1 15 C5L N3 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 410, 623, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 10 G48 H21 15 C5L O2 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 414, 625, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 11 C5L H41 14 G48 O6 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 457, 573, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 11 C5L N3 14 G48 H1 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 459, 575, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 11 C5L N3 14 G48 N1 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 459, 574, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 11 C5L N4 14 G48 O6 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 456, 573, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 11 C5L O2 14 G48 H21 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 461, 578, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 1 C5L H41 24 DG O6 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 21,1009, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,
rk2=2.0, rk3=2.0, ir6=1, ialtd=0,
&end
#
# 1 C5L N3 24 DG H1 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 23,1011, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 1 C5L N3 24 DG N1 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 23,1010, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 1 C5L N4 24 DG O6 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 20,1009, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 1 C5L O2 24 DG H21 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 25,1014, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 13 C5L H41 12 DG O6 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 533, 497, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 13 C5L N3 12 DG H1 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 535, 499, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 13 C5L N3 12 DG N1 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 535, 498, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 13 C5L N4 12 DG O6 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 532, 497, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 13 C5L O2 12 DG H21 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 537, 502, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
#
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