NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
648454 |
6va1   |
30697 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: tau_unb_RST
#
# 1 C H1' 1 C H2' 2.32 3.32
&rst
ixpk= 0, nxpk= 0, iat= 12, 28, r1= 1.82, r2= 2.32, r3= 3.32, r4= 3.82,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 1 C H6 1 C H1' 2.67 3.67
&rst
ixpk= 0, nxpk= 0, iat= 15, 12, r1= 2.17, r2= 2.67, r3= 3.67, r4= 4.17, &end
#
# 1 C H6 1 C H2' 2.91 3.91
&rst
ixpk= 0, nxpk= 0, iat= 15, 28, r1= 2.41, r2= 2.91, r3= 3.91, r4= 4.41, &end
#
# 1 C H6 1 C H3' 2.71 4.21
&rst
ixpk= 0, nxpk= 0, iat= 15, 26, r1= 2.21, r2= 2.71, r3= 4.21, r4= 4.71, &end
#
# 1 C H6 1 C H5 2.40 2.60
&rst
ixpk= 0, nxpk= 0, iat= 15, 17, r1= 1.90, r2= 2.40, r3= 2.60, r4= 3.10, &end
#
# 1 C H6 2 C H5 3.96 5.46
&rst
ixpk= 0, nxpk= 0, iat= 15, 48, r1= 3.46, r2= 3.96, r3= 5.46, r4= 5.96, &end
#
# 2 C H6 1 C H1' 3.46 4.96
&rst
ixpk= 0, nxpk= 0, iat= 46, 12, r1= 2.96, r2= 3.46, r3= 4.96, r4= 5.46, &end
#
# 2 C H6 1 C H2' 2.02 3.02
&rst
ixpk= 0, nxpk= 0, iat= 46, 28, r1= 1.52, r2= 2.02, r3= 3.02, r4= 3.52, &end
#
# 2 C H1' 2 C H2' 2.48 3.48
&rst
ixpk= 0, nxpk= 0, iat= 43, 59, r1= 1.98, r2= 2.48, r3= 3.48, r4= 3.98, &end
#
# 2 C H6 2 C H5 2.40 2.60
&rst
ixpk= 0, nxpk= 0, iat= 46, 48, r1= 1.90, r2= 2.40, r3= 2.60, r4= 3.10, &end
#
# 3 G H8 2 C H1' 3.79 5.29
&rst
ixpk= 0, nxpk= 0, iat= 77, 43, r1= 3.29, r2= 3.79, r3= 5.29, r4= 5.79, &end
#
# 3 G H8 2 C H2' 2.50 3.50
&rst
ixpk= 0, nxpk= 0, iat= 77, 59, r1= 2.00, r2= 2.50, r3= 3.50, r4= 4.00, &end
#
# 3 G H1' 3 G H2' 2.31 3.31
&rst
ixpk= 0, nxpk= 0, iat= 74, 93, r1= 1.81, r2= 2.31, r3= 3.31, r4= 3.81, &end
#
# 3 G H8 3 G H1' 2.79 3.79
&rst
ixpk= 0, nxpk= 0, iat= 77, 74, r1= 2.29, r2= 2.79, r3= 3.79, r4= 4.29, &end
#
# 4 G H8 3 G H2' 2.44 3.44
&rst
ixpk= 0, nxpk= 0, iat= 111, 93, r1= 1.94, r2= 2.44, r3= 3.44, r4= 3.94, &end
#
# 4 G H8 3 G H3' 3.30 4.80
&rst
ixpk= 0, nxpk= 0, iat= 111, 91, r1= 2.80, r2= 3.30, r3= 4.80, r4= 5.30, &end
#
# 4 G H1' 4 G H2' 2.44 3.44
&rst
ixpk= 0, nxpk= 0, iat= 108, 127, r1= 1.94, r2= 2.44, r3= 3.44, r4= 3.94, &end
#
# 4 G H1' 4 G H3' 3.10 4.60
&rst
ixpk= 0, nxpk= 0, iat= 108, 125, r1= 2.60, r2= 3.10, r3= 4.60, r4= 5.10, &end
#
# 4 G H8 4 G H1' 3.01 4.01
&rst
ixpk= 0, nxpk= 0, iat= 111, 108, r1= 2.51, r2= 3.01, r3= 4.01, r4= 4.51, &end
#
# 4 G H8 5 C H5 3.41 4.91
&rst
ixpk= 0, nxpk= 0, iat= 111, 147, r1= 2.91, r2= 3.41, r3= 4.91, r4= 5.41, &end
#
# 5 C H6 4 G H1' 4.40 5.90
&rst
ixpk= 0, nxpk= 0, iat= 145, 108, r1= 3.90, r2= 4.40, r3= 5.90, r4= 6.40, &end
#
# 5 C H6 4 G H2' 1.77 2.77
&rst
ixpk= 0, nxpk= 0, iat= 145, 127, r1= 1.27, r2= 1.77, r3= 2.77, r4= 3.27, &end
#
# 5 C H6 4 G H3' 2.77 4.27
&rst
ixpk= 0, nxpk= 0, iat= 145, 125, r1= 2.27, r2= 2.77, r3= 4.27, r4= 4.77, &end
#
# 5 C H6 4 G H8 2.97 4.47
&rst
ixpk= 0, nxpk= 0, iat= 145, 111, r1= 2.47, r2= 2.97, r3= 4.47, r4= 4.97, &end
#
# 5 C H1' 5 C H2' 2.19 3.19
&rst
ixpk= 0, nxpk= 0, iat= 142, 158, r1= 1.69, r2= 2.19, r3= 3.19, r4= 3.69, &end
#
# 5 C H1' 5 C H3' 2.73 4.23
&rst
ixpk= 0, nxpk= 0, iat= 142, 156, r1= 2.23, r2= 2.73, r3= 4.23, r4= 4.73, &end
#
# 5 C H6 5 C H1' 2.81 3.81
&rst
ixpk= 0, nxpk= 0, iat= 145, 142, r1= 2.31, r2= 2.81, r3= 3.81, r4= 4.31, &end
#
# 5 C H6 5 C H3' 2.79 4.29
&rst
ixpk= 0, nxpk= 0, iat= 145, 156, r1= 2.29, r2= 2.79, r3= 4.29, r4= 4.79, &end
#
# 5 C H6 5 C H5 2.40 2.60
&rst
ixpk= 0, nxpk= 0, iat= 145, 147, r1= 1.90, r2= 2.40, r3= 2.60, r4= 3.10, &end
#
# 6 A H8 5 C H1' 4.00 5.50
&rst
ixpk= 0, nxpk= 0, iat= 176, 142, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00, &end
#
# 6 A H8 5 C H2' 2.23 3.23
&rst
ixpk= 0, nxpk= 0, iat= 176, 158, r1= 1.73, r2= 2.23, r3= 3.23, r4= 3.73, &end
#
# 6 A H8 5 C H3' 2.71 4.21
&rst
ixpk= 0, nxpk= 0, iat= 176, 156, r1= 2.21, r2= 2.71, r3= 4.21, r4= 4.71, &end
#
# 6 A H1' 6 A H2' 2.67 3.67
&rst
ixpk= 0, nxpk= 0, iat= 173, 191, r1= 2.17, r2= 2.67, r3= 3.67, r4= 4.17, &end
#
# 6 A H1' 6 A H3' 3.24 4.74
&rst
ixpk= 0, nxpk= 0, iat= 173, 189, r1= 2.74, r2= 3.24, r3= 4.74, r4= 5.24, &end
#
# 6 A H2 6 A H1' 3.95 5.45
&rst
ixpk= 0, nxpk= 0, iat= 185, 173, r1= 3.45, r2= 3.95, r3= 5.45, r4= 5.95, &end
#
# 6 A H8 6 A H1' 2.93 3.93
&rst
ixpk= 0, nxpk= 0, iat= 176, 173, r1= 2.43, r2= 2.93, r3= 3.93, r4= 4.43, &end
#
# 6 A H8 6 A H2' 2.76 3.76
&rst
ixpk= 0, nxpk= 0, iat= 176, 191, r1= 2.26, r2= 2.76, r3= 3.76, r4= 4.26, &end
#
# 7 G H8 6 A H1' 3.98 5.48
&rst
ixpk= 0, nxpk= 0, iat= 209, 173, r1= 3.48, r2= 3.98, r3= 5.48, r4= 5.98, &end
#
# 7 G H1' 7 G H2' 2.46 3.46
&rst
ixpk= 0, nxpk= 0, iat= 206, 225, r1= 1.96, r2= 2.46, r3= 3.46, r4= 3.96, &end
#
# 7 G H1' 7 G H3' 3.53 5.03
&rst
ixpk= 0, nxpk= 0, iat= 206, 223, r1= 3.03, r2= 3.53, r3= 5.03, r4= 5.53, &end
#
# 7 G H8 7 G H1' 2.94 3.94
&rst
ixpk= 0, nxpk= 0, iat= 209, 206, r1= 2.44, r2= 2.94, r3= 3.94, r4= 4.44, &end
#
# 8 U H6 7 G H1' 3.33 4.83
&rst
ixpk= 0, nxpk= 0, iat= 243, 206, r1= 2.83, r2= 3.33, r3= 4.83, r4= 5.33, &end
#
# 8 U H6 7 G H2' 2.22 3.22
&rst
ixpk= 0, nxpk= 0, iat= 243, 225, r1= 1.72, r2= 2.22, r3= 3.22, r4= 3.72, &end
#
# 8 U H6 7 G H3' 2.52 4.02
&rst
ixpk= 0, nxpk= 0, iat= 243, 223, r1= 2.02, r2= 2.52, r3= 4.02, r4= 4.52, &end
#
# 8 U H6 8 U H1' 3.04 4.54
&rst
ixpk= 0, nxpk= 0, iat= 243, 240, r1= 2.54, r2= 3.04, r3= 4.54, r4= 5.04, &end
#
# 8 U H6 8 U H2' 3.17 4.17
&rst
ixpk= 0, nxpk= 0, iat= 243, 255, r1= 2.67, r2= 3.17, r3= 4.17, r4= 4.67, &end
#
# 8 U H6 8 U H5 2.40 2.60
&rst
ixpk= 0, nxpk= 0, iat= 243, 245, r1= 1.90, r2= 2.40, r3= 2.60, r4= 3.10, &end
#
# 9 G H8 8 U H1' 3.62 5.12
&rst
ixpk= 0, nxpk= 0, iat= 273, 240, r1= 3.12, r2= 3.62, r3= 5.12, r4= 5.62, &end
#
# 9 G H8 8 U H2' 2.60 3.60
&rst
ixpk= 0, nxpk= 0, iat= 273, 255, r1= 2.10, r2= 2.60, r3= 3.60, r4= 4.10, &end
#
# 9 G H1' 9 G H2' 2.34 3.34
&rst
ixpk= 0, nxpk= 0, iat= 270, 289, r1= 1.84, r2= 2.34, r3= 3.34, r4= 3.84, &end
#
# 9 G H1' 9 G H3' 3.59 5.09
&rst
ixpk= 0, nxpk= 0, iat= 270, 287, r1= 3.09, r2= 3.59, r3= 5.09, r4= 5.59, &end
#
# 9 G H8 9 G H1' 3.54 4.54
&rst
ixpk= 0, nxpk= 0, iat= 273, 270, r1= 3.04, r2= 3.54, r3= 4.54, r4= 5.04, &end
#
# 10 U H6 9 G H1' 3.64 5.14
&rst
ixpk= 0, nxpk= 0, iat= 307, 270, r1= 3.14, r2= 3.64, r3= 5.14, r4= 5.64, &end
#
# 10 U H1' 10 U H2' 2.27 3.27
&rst
ixpk= 0, nxpk= 0, iat= 304, 319, r1= 1.77, r2= 2.27, r3= 3.27, r4= 3.77, &end
#
# 10 U H1' 10 U H3' 3.07 4.57
&rst
ixpk= 0, nxpk= 0, iat= 304, 317, r1= 2.57, r2= 3.07, r3= 4.57, r4= 5.07, &end
#
# 10 U H6 10 U H1' 2.90 3.90
&rst
ixpk= 0, nxpk= 0, iat= 307, 304, r1= 2.40, r2= 2.90, r3= 3.90, r4= 4.40, &end
#
# 10 U H6 10 U H5 2.40 2.60
&rst
ixpk= 0, nxpk= 0, iat= 307, 309, r1= 1.90, r2= 2.40, r3= 2.60, r4= 3.10, &end
#
# 11 G H8 10 U H1' 3.24 4.74
&rst
ixpk= 0, nxpk= 0, iat= 337, 304, r1= 2.74, r2= 3.24, r3= 4.74, r4= 5.24, &end
#
# 11 G H8 10 U H2' 1.91 2.91
&rst
ixpk= 0, nxpk= 0, iat= 337, 319, r1= 1.41, r2= 1.91, r3= 2.91, r4= 3.41, &end
#
# 11 G H1' 11 G H2' 2.42 3.42
&rst
ixpk= 0, nxpk= 0, iat= 334, 353, r1= 1.92, r2= 2.42, r3= 3.42, r4= 3.92, &end
#
# 11 G H1' 11 G H3' 3.43 4.93
&rst
ixpk= 0, nxpk= 0, iat= 334, 351, r1= 2.93, r2= 3.43, r3= 4.93, r4= 5.43, &end
#
# 11 G H8 11 G H1' 2.94 3.94
&rst
ixpk= 0, nxpk= 0, iat= 337, 334, r1= 2.44, r2= 2.94, r3= 3.94, r4= 4.44, &end
#
# 11 G H8 11 G H2' 2.86 3.86
&rst
ixpk= 0, nxpk= 0, iat= 337, 353, r1= 2.36, r2= 2.86, r3= 3.86, r4= 4.36, &end
#
# 11 G H8 11 G H3' 3.40 4.90
&rst
ixpk= 0, nxpk= 0, iat= 337, 351, r1= 2.90, r2= 3.40, r3= 4.90, r4= 5.40, &end
#
# 12 C H1' 12 C H2' 2.66 3.66
&rst
ixpk= 0, nxpk= 0, iat= 368, 384, r1= 2.16, r2= 2.66, r3= 3.66, r4= 4.16, &end
#
# 12 C H6 12 C H1' 2.97 3.97
&rst
ixpk= 0, nxpk= 0, iat= 371, 368, r1= 2.47, r2= 2.97, r3= 3.97, r4= 4.47, &end
#
# 12 C H6 12 C H2' 2.84 3.84
&rst
ixpk= 0, nxpk= 0, iat= 371, 384, r1= 2.34, r2= 2.84, r3= 3.84, r4= 4.34, &end
#
# 12 C H6 12 C H3' 2.65 4.15
&rst
ixpk= 0, nxpk= 0, iat= 371, 382, r1= 2.15, r2= 2.65, r3= 4.15, r4= 4.65, &end
#
# 12 C H6 12 C H5 2.40 2.60
&rst
ixpk= 0, nxpk= 0, iat= 371, 373, r1= 1.90, r2= 2.40, r3= 2.60, r4= 3.10, &end
#
# 13 A H2 11 G H1' 2.99 3.99
&rst
ixpk= 0, nxpk= 0, iat= 411, 334, r1= 2.49, r2= 2.99, r3= 3.99, r4= 4.49, &end
#
# 13 A H8 12 C H1' 4.23 5.73
&rst
ixpk= 0, nxpk= 0, iat= 402, 368, r1= 3.73, r2= 4.23, r3= 5.73, r4= 6.23, &end
#
# 13 A H8 12 C H2' 2.17 3.17
&rst
ixpk= 0, nxpk= 0, iat= 402, 384, r1= 1.67, r2= 2.17, r3= 3.17, r4= 3.67, &end
#
# 13 A H8 12 C H3' 2.83 4.33
&rst
ixpk= 0, nxpk= 0, iat= 402, 382, r1= 2.33, r2= 2.83, r3= 4.33, r4= 4.83, &end
#
# 13 A H1' 13 A H2' 2.42 3.42
&rst
ixpk= 0, nxpk= 0, iat= 399, 417, r1= 1.92, r2= 2.42, r3= 3.42, r4= 3.92, &end
#
# 13 A H1' 13 A H3' 3.44 4.94
&rst
ixpk= 0, nxpk= 0, iat= 399, 415, r1= 2.94, r2= 3.44, r3= 4.94, r4= 5.44, &end
#
# 13 A H2 13 A H1' 3.75 4.75
&rst
ixpk= 0, nxpk= 0, iat= 411, 399, r1= 3.25, r2= 3.75, r3= 4.75, r4= 5.25, &end
#
# 13 A H8 13 A H1' 3.27 4.27
&rst
ixpk= 0, nxpk= 0, iat= 402, 399, r1= 2.77, r2= 3.27, r3= 4.27, r4= 4.77, &end
#
# 13 A H8 13 A H3' 3.00 4.50
&rst
ixpk= 0, nxpk= 0, iat= 402, 415, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00, &end
#
# 13 A H8 14 C H5 3.61 5.11
&rst
ixpk= 0, nxpk= 0, iat= 402, 437, r1= 3.11, r2= 3.61, r3= 5.11, r4= 5.61, &end
#
# 14 C H5 13 A H2' 3.71 5.21
&rst
ixpk= 0, nxpk= 0, iat= 437, 417, r1= 3.21, r2= 3.71, r3= 5.21, r4= 5.71, &end
#
# 14 C H5 13 A H3' 2.64 4.14
&rst
ixpk= 0, nxpk= 0, iat= 437, 415, r1= 2.14, r2= 2.64, r3= 4.14, r4= 4.64, &end
#
# 14 C H6 13 A H1' 3.58 5.08
&rst
ixpk= 0, nxpk= 0, iat= 435, 399, r1= 3.08, r2= 3.58, r3= 5.08, r4= 5.58, &end
#
# 14 C H6 13 A H2' 1.88 2.88
&rst
ixpk= 0, nxpk= 0, iat= 435, 417, r1= 1.38, r2= 1.88, r3= 2.88, r4= 3.38, &end
#
# 14 C H6 13 A H3' 3.06 4.56
&rst
ixpk= 0, nxpk= 0, iat= 435, 415, r1= 2.56, r2= 3.06, r3= 4.56, r4= 5.06, &end
#
# 14 C H1' 14 C H2' 2.16 3.16
&rst
ixpk= 0, nxpk= 0, iat= 432, 448, r1= 1.66, r2= 2.16, r3= 3.16, r4= 3.66, &end
#
# 14 C H1' 14 C H3' 3.65 5.15
&rst
ixpk= 0, nxpk= 0, iat= 432, 446, r1= 3.15, r2= 3.65, r3= 5.15, r4= 5.65, &end
#
# 14 C H6 14 C H1' 2.84 3.84
&rst
ixpk= 0, nxpk= 0, iat= 435, 432, r1= 2.34, r2= 2.84, r3= 3.84, r4= 4.34, &end
#
# 14 C H6 14 C H2' 3.04 4.04
&rst
ixpk= 0, nxpk= 0, iat= 435, 448, r1= 2.54, r2= 3.04, r3= 4.04, r4= 4.54, &end
#
# 14 C H6 14 C H5 2.40 2.60
&rst
ixpk= 0, nxpk= 0, iat= 435, 437, r1= 1.90, r2= 2.40, r3= 2.60, r4= 3.10, &end
#
# 15 A H2 9 G H1' 3.03 4.03
&rst
ixpk= 0, nxpk= 0, iat= 475, 270, r1= 2.53, r2= 3.03, r3= 4.03, r4= 4.53, &end
#
# 15 A H8 14 C H1' 3.29 4.79
&rst
ixpk= 0, nxpk= 0, iat= 466, 432, r1= 2.79, r2= 3.29, r3= 4.79, r4= 5.29, &end
#
# 15 A H8 14 C H2' 2.07 3.07
&rst
ixpk= 0, nxpk= 0, iat= 466, 448, r1= 1.57, r2= 2.07, r3= 3.07, r4= 3.57, &end
#
# 15 A H8 14 C H3' 3.11 4.61
&rst
ixpk= 0, nxpk= 0, iat= 466, 446, r1= 2.61, r2= 3.11, r3= 4.61, r4= 5.11, &end
#
# 15 A H8 14 C H5 4.18 5.68
&rst
ixpk= 0, nxpk= 0, iat= 466, 437, r1= 3.68, r2= 4.18, r3= 5.68, r4= 6.18, &end
#
# 15 A H1' 15 A H2' 2.51 3.51
&rst
ixpk= 0, nxpk= 0, iat= 463, 481, r1= 2.01, r2= 2.51, r3= 3.51, r4= 4.01, &end
#
# 15 A H2 15 A H1' 4.00 6.00
&rst
ixpk= 0, nxpk= 0, iat= 475, 463, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50, &end
#
# 15 A H8 15 A H1' 3.43 4.43
&rst
ixpk= 0, nxpk= 0, iat= 466, 463, r1= 2.93, r2= 3.43, r3= 4.43, r4= 4.93, &end
#
# 15 A H2 16 C H1' 3.30 4.30
&rst
ixpk= 0, nxpk= 0, iat= 475, 496, r1= 2.80, r2= 3.30, r3= 4.30, r4= 4.80, &end
#
# 15 A H8 16 C H5 4.15 5.65
&rst
ixpk= 0, nxpk= 0, iat= 466, 501, r1= 3.65, r2= 4.15, r3= 5.65, r4= 6.15, &end
#
# 16 C H6 15 A H1' 3.42 4.92
&rst
ixpk= 0, nxpk= 0, iat= 499, 463, r1= 2.92, r2= 3.42, r3= 4.92, r4= 5.42, &end
#
# 16 C H6 15 A H2' 2.02 3.02
&rst
ixpk= 0, nxpk= 0, iat= 499, 481, r1= 1.52, r2= 2.02, r3= 3.02, r4= 3.52, &end
#
# 16 C H6 15 A H3' 2.30 3.80
&rst
ixpk= 0, nxpk= 0, iat= 499, 479, r1= 1.80, r2= 2.30, r3= 3.80, r4= 4.30, &end
#
# 16 C H1' 16 C H2' 2.52 3.52
&rst
ixpk= 0, nxpk= 0, iat= 496, 512, r1= 2.02, r2= 2.52, r3= 3.52, r4= 4.02, &end
#
# 16 C H1' 16 C H3' 2.28 3.78
&rst
ixpk= 0, nxpk= 0, iat= 496, 510, r1= 1.78, r2= 2.28, r3= 3.78, r4= 4.28, &end
#
# 16 C H6 16 C H1' 2.97 3.97
&rst
ixpk= 0, nxpk= 0, iat= 499, 496, r1= 2.47, r2= 2.97, r3= 3.97, r4= 4.47, &end
#
# 16 C H6 16 C H5 2.40 2.60
&rst
ixpk= 0, nxpk= 0, iat= 499, 501, r1= 1.90, r2= 2.40, r3= 2.60, r4= 3.10, &end
#
# 17 G H8 16 C H1' 3.10 4.60
&rst
ixpk= 0, nxpk= 0, iat= 530, 496, r1= 2.60, r2= 3.10, r3= 4.60, r4= 5.10, &end
#
# 17 G H8 16 C H2' 2.07 3.07
&rst
ixpk= 0, nxpk= 0, iat= 530, 512, r1= 1.57, r2= 2.07, r3= 3.07, r4= 3.57, &end
#
# 17 G H8 16 C H3' 2.88 4.38
&rst
ixpk= 0, nxpk= 0, iat= 530, 510, r1= 2.38, r2= 2.88, r3= 4.38, r4= 4.88, &end
#
# 17 G H1' 17 G H2' 2.34 3.34
&rst
ixpk= 0, nxpk= 0, iat= 527, 546, r1= 1.84, r2= 2.34, r3= 3.34, r4= 3.84, &end
#
# 17 G H8 17 G H1' 3.16 4.16
&rst
ixpk= 0, nxpk= 0, iat= 530, 527, r1= 2.66, r2= 3.16, r3= 4.16, r4= 4.66, &end
#
# 17 G H8 17 G H3' 2.72 4.22
&rst
ixpk= 0, nxpk= 0, iat= 530, 544, r1= 2.22, r2= 2.72, r3= 4.22, r4= 4.72, &end
#
# 18 U H5 17 G H2' 4.27 5.77
&rst
ixpk= 0, nxpk= 0, iat= 566, 546, r1= 3.77, r2= 4.27, r3= 5.77, r4= 6.27, &end
#
# 18 U H6 17 G H1' 3.87 5.37
&rst
ixpk= 0, nxpk= 0, iat= 564, 527, r1= 3.37, r2= 3.87, r3= 5.37, r4= 5.87, &end
#
# 18 U H6 17 G H2' 2.14 3.14
&rst
ixpk= 0, nxpk= 0, iat= 564, 546, r1= 1.64, r2= 2.14, r3= 3.14, r4= 3.64, &end
#
# 18 U H6 17 G H3' 2.72 4.22
&rst
ixpk= 0, nxpk= 0, iat= 564, 544, r1= 2.22, r2= 2.72, r3= 4.22, r4= 4.72, &end
#
# 18 U H1' 18 U H2' 2.32 3.32
&rst
ixpk= 0, nxpk= 0, iat= 561, 576, r1= 1.82, r2= 2.32, r3= 3.32, r4= 3.82, &end
#
# 18 U H6 18 U H1' 3.00 4.00
&rst
ixpk= 0, nxpk= 0, iat= 564, 561, r1= 2.50, r2= 3.00, r3= 4.00, r4= 4.50, &end
#
# 18 U H6 18 U H2' 2.76 3.76
&rst
ixpk= 0, nxpk= 0, iat= 564, 576, r1= 2.26, r2= 2.76, r3= 3.76, r4= 4.26, &end
#
# 18 U H6 18 U H3' 2.58 4.08
&rst
ixpk= 0, nxpk= 0, iat= 564, 574, r1= 2.08, r2= 2.58, r3= 4.08, r4= 4.58, &end
#
# 18 U H6 18 U H5 2.40 2.60
&rst
ixpk= 0, nxpk= 0, iat= 564, 566, r1= 1.90, r2= 2.40, r3= 2.60, r4= 3.10, &end
#
# 19 C H6 18 U H1' 3.89 5.39
&rst
ixpk= 0, nxpk= 0, iat= 594, 561, r1= 3.39, r2= 3.89, r3= 5.39, r4= 5.89, &end
#
# 19 C H6 18 U H2' 1.90 2.90
&rst
ixpk= 0, nxpk= 0, iat= 594, 576, r1= 1.40, r2= 1.90, r3= 2.90, r4= 3.40, &end
#
# 19 C H6 18 U H5 2.62 5.12
&rst
ixpk= 0, nxpk= 0, iat= 594, 566, r1= 2.12, r2= 2.62, r3= 5.12, r4= 5.62, &end
#
# 19 C H1' 19 C H2' 2.64 3.64
&rst
ixpk= 0, nxpk= 0, iat= 591, 607, r1= 2.14, r2= 2.64, r3= 3.64, r4= 4.14, &end
#
# 19 C H1' 19 C H3' 2.74 4.24
&rst
ixpk= 0, nxpk= 0, iat= 591, 605, r1= 2.24, r2= 2.74, r3= 4.24, r4= 4.74, &end
#
# 19 C H6 19 C H1' 3.07 4.07
&rst
ixpk= 0, nxpk= 0, iat= 594, 591, r1= 2.57, r2= 3.07, r3= 4.07, r4= 4.57, &end
#
# 19 C H6 19 C H5 2.40 2.60
&rst
ixpk= 0, nxpk= 0, iat= 594, 596, r1= 1.90, r2= 2.40, r3= 2.60, r4= 3.10, &end
#
# 19 C H6 20 G H8 3.03 4.53
&rst
ixpk= 0, nxpk= 0, iat= 594, 625, r1= 2.53, r2= 3.03, r3= 4.53, r4= 5.03, &end
#
# 20 G H8 19 C H1' 3.49 4.99
&rst
ixpk= 0, nxpk= 0, iat= 625, 591, r1= 2.99, r2= 3.49, r3= 4.99, r4= 5.49, &end
#
# 20 G H8 19 C H2' 1.90 2.90
&rst
ixpk= 0, nxpk= 0, iat= 625, 607, r1= 1.40, r2= 1.90, r3= 2.90, r4= 3.40, &end
#
# 20 G H8 19 C H3' 3.63 5.13
&rst
ixpk= 0, nxpk= 0, iat= 625, 605, r1= 3.13, r2= 3.63, r3= 5.13, r4= 5.63, &end
#
# 20 G H1' 20 G H2' 2.10 3.10
&rst
ixpk= 0, nxpk= 0, iat= 622, 641, r1= 1.60, r2= 2.10, r3= 3.10, r4= 3.60, &end
#
# 20 G H8 20 G H1' 3.01 4.01
&rst
ixpk= 0, nxpk= 0, iat= 625, 622, r1= 2.51, r2= 3.01, r3= 4.01, r4= 4.51, &end
#
# 21 G H8 20 G H1' 4.00 5.50
&rst
ixpk= 0, nxpk= 0, iat= 659, 622, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00, &end
#
# 21 G H8 20 G H2' 2.04 3.04
&rst
ixpk= 0, nxpk= 0, iat= 659, 641, r1= 1.54, r2= 2.04, r3= 3.04, r4= 3.54, &end
#
# 21 G H8 20 G H3' 2.93 4.43
&rst
ixpk= 0, nxpk= 0, iat= 659, 639, r1= 2.43, r2= 2.93, r3= 4.43, r4= 4.93, &end
#
# 21 G H1' 21 G H2' 2.30 3.30
&rst
ixpk= 0, nxpk= 0, iat= 656, 675, r1= 1.80, r2= 2.30, r3= 3.30, r4= 3.80, &end
#
# 21 G H8 21 G H1' 3.07 4.07
&rst
ixpk= 0, nxpk= 0, iat= 659, 656, r1= 2.57, r2= 3.07, r3= 4.07, r4= 4.57, &end
#
# 21 G H8 21 G H2' 1.59 2.59
&rst
ixpk= 0, nxpk= 0, iat= 659, 675, r1= 1.09, r2= 1.59, r3= 2.59, r4= 3.09, &end
#
# 1 C H6 2 C H6 3.50 5.00
&rst
ixpk= 0, nxpk= 0, iat= 15, 46, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50, &end
#
# 2 C H6 3 G H8 3.50 5.00
&rst
ixpk= 0, nxpk= 0, iat= 46, 77, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50, &end
#
# 3 G H8 4 G H8 5.00 6.50
&rst
ixpk= 0, nxpk= 0, iat= 77, 111, r1= 4.50, r2= 5.00, r3= 6.50, r4= 7.00, &end
#
# 4 G H8 5 C H6 4.00 5.50
&rst
ixpk= 0, nxpk= 0, iat= 111, 145, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00, &end
#
# 5 C H6 6 A H8 4.50 6.00
&rst
ixpk= 0, nxpk= 0, iat= 145, 176, r1= 4.00, r2= 4.50, r3= 6.00, r4= 6.50, &end
#
# 6 A H8 7 G H8 5.00 6.50
&rst
ixpk= 0, nxpk= 0, iat= 176, 209, r1= 4.50, r2= 5.00, r3= 6.50, r4= 7.00, &end
#
# 7 G H8 8 U H6 3.50 5.00
&rst
ixpk= 0, nxpk= 0, iat= 209, 243, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50, &end
#
# 8 U H6 9 G H8 3.50 5.00
&rst
ixpk= 0, nxpk= 0, iat= 243, 273, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50, &end
#
# 9 G H8 10 U H6 3.50 5.00
&rst
ixpk= 0, nxpk= 0, iat= 273, 307, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50, &end
#
# 10 U H6 11 G H8 3.50 5.00
&rst
ixpk= 0, nxpk= 0, iat= 307, 337, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50, &end
#
# 12 C H6 13 A H8 3.50 5.00
&rst
ixpk= 0, nxpk= 0, iat= 371, 402, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50, &end
#
# 13 A H8 14 C H6 3.50 5.00
&rst
ixpk= 0, nxpk= 0, iat= 402, 435, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50, &end
#
# 14 C H6 15 A H8 3.50 5.00
&rst
ixpk= 0, nxpk= 0, iat= 435, 466, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50, &end
#
# 15 A H8 16 C H6 4.00 5.50
&rst
ixpk= 0, nxpk= 0, iat= 466, 499, r1= 3.50, r2= 4.00, r3= 5.50, r4= 6.00, &end
#
# 16 C H6 17 G H8 3.50 5.00
&rst
ixpk= 0, nxpk= 0, iat= 499, 530, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50, &end
#
# 17 G H8 18 U H6 3.50 5.00
&rst
ixpk= 0, nxpk= 0, iat= 530, 564, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50, &end
#
# 18 U H6 19 C H6 3.50 5.00
&rst
ixpk= 0, nxpk= 0, iat= 564, 594, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50, &end
#
# 19 C H6 20 G H8 3.50 5.00
&rst
ixpk= 0, nxpk= 0, iat= 594, 625, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50, &end
#
# 20 G H8 21 G H8 3.50 5.00
&rst
ixpk= 0, nxpk= 0, iat= 625, 659, r1= 3.00, r2= 3.50, r3= 5.00, r4= 5.50, &end
#
# 6 A H2 7 G H1' 3.00 4.50
&rst
ixpk= 0, nxpk= 0, iat= 185, 206, r1= 2.50, r2= 3.00, r3= 4.50, r4= 5.00, &end
#
# 1 C H42 21 G O6 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 21, 663, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,
rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
&end
#
# 1 C N3 21 G H1 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 22, 665, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 1 C N3 21 G N1 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 22, 664, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 1 C N4 21 G O6 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 19, 663, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 1 C O2 21 G H22 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 24, 669, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 2 C H42 20 G O6 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 52, 629, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 2 C N3 20 G H1 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 53, 631, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 2 C N3 20 G N1 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 53, 630, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 2 C N4 20 G O6 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 50, 629, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 2 C O2 20 G H22 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 55, 635, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 3 G H1 19 C N3 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 83, 601, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 3 G H22 19 C O2 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 87, 603, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 3 G N1 19 C N3 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 82, 601, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 3 G O6 19 C H42 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 81, 600, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 3 G O6 19 C N4 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 81, 598, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 5 C H42 17 G O6 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 151, 534, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 5 C N3 17 G H1 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 152, 536, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 5 C N3 17 G N1 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 152, 535, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 5 C N4 17 G O6 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 149, 534, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 5 C O2 17 G H22 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 154, 540, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 7 G H1 16 C N3 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 215, 506, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 7 G H22 16 C O2 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 219, 508, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 7 G N1 16 C N3 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 214, 506, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 7 G O6 16 C H42 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 213, 505, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 7 G O6 16 C N4 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 213, 503, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 8 U H3 15 A N1 1.71 1.91
&rst
ixpk= 0, nxpk= 0, iat= 249, 473, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, &end
#
# 8 U N3 15 A N1 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat= 248, 473, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
#
# 8 U O4 15 A H61 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 247, 471, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 9 G H1 14 C N3 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 279, 442, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 9 G H22 14 C O2 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 283, 444, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 9 G N1 14 C N3 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 278, 442, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 9 G O6 14 C H42 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 277, 441, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 9 G O6 14 C N4 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 277, 439, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
#
# 10 U H3 13 A N1 1.71 1.91
&rst
ixpk= 0, nxpk= 0, iat= 313, 409, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, &end
#
# 10 U N3 13 A N1 2.72 2.92
&rst
ixpk= 0, nxpk= 0, iat= 312, 409, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42, &end
#
# 10 U O4 13 A H61 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 311, 407, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 11 G H1 12 C N3 1.84 2.04
&rst
ixpk= 0, nxpk= 0, iat= 343, 378, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54, &end
#
# 11 G H22 12 C O2 1.75 1.95
&rst
ixpk= 0, nxpk= 0, iat= 347, 380, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45, &end
#
# 11 G N1 12 C N3 2.85 3.05
&rst
ixpk= 0, nxpk= 0, iat= 342, 378, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, &end
#
# 11 G O6 12 C H42 1.80 2.00
&rst
ixpk= 0, nxpk= 0, iat= 341, 377, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50, &end
#
# 11 G O6 12 C N4 2.81 3.01
&rst
ixpk= 0, nxpk= 0, iat= 341, 375, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51, &end
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