NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type | subtype | subsubtype |
|
|
627884 |
5lqg   |
34034 | cing | 1-original | 1 | AMBER | distance | NOE | simple |
# Restraints file 1: NOE.str
#NOE distance restraints
# 1 THY H1' 1 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 10, 13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,
rk2=20.0, rk3=20.0,nstep1 = 3000, nstep2 = 200000,ialtd=0,
&end
#
# 1 THY H2' 1 THY H2'' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 28, 29, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 1 THY H2' 1 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 28, 13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 1 THY H2' 1 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 28, 10, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 1 THY H2'' 1 THY H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 29, 10, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 1 THY H2'' 1 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 29, 13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 1 THY H3' 1 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 26, 13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 1 THY H4' 1 THY H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 7, 10, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 1 THY M 1 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 13, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr1= 16, 17, 18,
&end
#
#
# 1 THY H3' 1 THY H1' 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 26, 10, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 1 THY H1' 2 ADE H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 10, 45, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 1 THY H2' 2 ADE H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 28, 45, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 1 THY H2'' 2 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 29, 45, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 2 ADE H1' 2 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 42, 45, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 2 ADE H2' 2 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 60, 45, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 2 ADE H2'' 2 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 61, 45, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 2 ADE H3' 2 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 58, 45, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 2 ADE H4' 2 ADE H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 39, 42, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 2 ADE H1' 3 GUA H1 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 42, 83, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 2 ADE H2 3 GUA H1 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 54, 83, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 2 ADE H2 10 GUA H1 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 54, 311, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 2 ADE H1' 16 GUA H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 42, 500, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 2 ADE H2' 16 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 60, 500, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 2 ADE H2'' 16 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 61, 500, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 2 ADE H2' 2 ADE H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 60, 42, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 2 ADE H2'' 2 ADE H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 61, 42, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 2 ADE H8 3 GUA H1 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 45, 83, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 2 ADE H2 16 GUA H1 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 54, 506, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 2 ADE H2 22 GUA H1 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 54, 701, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 3 GUA H1' 3 GUA H8 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 74, 77, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 3 GUA H2' 3 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 93, 74, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 3 GUA H2' 3 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 93, 77, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 3 GUA H2'' 3 GUA H2' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 94, 93, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 3 GUA H2'' 3 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 94, 74, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 3 GUA H2'' 3 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 94, 77, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 3 GUA H3' 3 GUA H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 91, 77, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 3 GUA H8 10 GUA H1 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 77, 311, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
# 3 GUA H1' 4 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 74, 110, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 3 GUA H2' 4 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 93, 110, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 3 GUA H2'' 4 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 94, 110, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 4 GUA H1' 3 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 107, 77, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 4 GUA H8 3 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 110, 77, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 4 GUA H1' 4 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 107, 110, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 4 GUA H2' 4 GUA H2'' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 126, 127, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 4 GUA H2' 4 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 126, 110, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 4 GUA H2' 4 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 126, 107, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 4 GUA H2'' 4 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 127, 107, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 4 GUA H2'' 4 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 127, 110, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 4 GUA H3' 4 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 124, 110, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
#
# 4 GUA H4' 4 GUA H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 104, 107, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 4 GUA H3' 4 GUA H1' 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 124, 107, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 4 GUA H2' 5 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 126, 143, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 4 GUA H8 5 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 110, 143, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 4 GUA H1' 5 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 107, 143, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 4 GUA H2'' 5 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 127, 143, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 4 GUA H1 17 GUA H1 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 116, 539, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 5 GUA H1' 5 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 140, 143, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 5 GUA H2' 5 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 159, 143, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 5 GUA H2' 5 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 159, 140, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 5 GUA H2'' 5 GUA H2' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 160, 159, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 5 GUA H2'' 5 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 160, 140, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 5 GUA H2'' 5 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 160, 143, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 5 GUA H3' 5 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 157, 143, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 5 GUA H8 6 THY M 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 143, -1, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr2= 179, 180, 181,
&end
#
# 5 GUA H2' 6 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 159, 176, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 5 GUA H2'' 6 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 160, 176, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 5 GUA H3' 5 GUA H1' 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 157, 140, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 5 GUA H1' 6 THY H6 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 140, 176, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 6 THY H1' 6 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 173, 176, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 6 THY H2' 6 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 191, 173, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 6 THY H2' 6 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 191, 176, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 6 THY H2'' 6 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 192, 176, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 6 THY H2'' 6 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 192, 173, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 6 THY H3' 6 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 189, 176, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 6 THY H4' 6 THY H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 170, 173, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 6 THY M 6 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 176, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr1= 179, 180, 181,
&end
#
# 6 THY M 6 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 173, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr1= 179, 180, 181,
&end
#
# 6 THY H2' 7 THY H6 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 191, 208, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 6 THY H2'' 7 THY H6 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 192, 208, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 9 GUA H1' 10 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 269, 305, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 6 THY M 18 THY H6 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 566, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
igr1= 179, 180, 181,
&end
#
# 6 THY H6 18 THY H6 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 176, 566, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 6 THY H2' 6 THY H2'' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 191, 192, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 6 THY H3' 6 THY H1' 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 189, 173, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 6 THY H1' 7 THY H6 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 173, 208, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 7 THY H4' 7 THY H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 202, 205, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 7 THY H1' 7 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 205, 208, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 7 THY H2' 7 THY H2'' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 223, 224, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 7 THY H2' 7 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 223, 208, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 7 THY H2' 7 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 223, 205, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 7 THY H2'' 7 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 224, 205, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 7 THY H2'' 7 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 224, 208, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 7 THY H3' 7 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 221, 205, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 7 THY H3' 7 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 221, 208, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 7 THY M 7 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 208, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr1= 211, 212, 213,
&end
#
# 7 THY H1' 8 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 205, 240, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 7 THY H2' 8 ADE H2 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 223, 249, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 7 THY H2' 8 ADE H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 223, 240, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 7 THY H2'' 8 ADE H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 224, 240, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 7 THY H6 19 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 208, 598, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 7 THY H1' 20 ADE H2 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 205, 639, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 8 ADE H1' 8 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 237, 240, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 8 ADE H2' 8 ADE H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 255, 237, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 8 ADE H2' 8 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 255, 240, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 8 ADE H2'' 8 ADE H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 256, 237, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 8 ADE H2'' 8 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 256, 240, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 8 ADE H3' 8 ADE H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 253, 240, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 8 ADE H4' 8 ADE H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 234, 237, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 8 ADE H8 9 GUA H1 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 240, 278, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 8 ADE H1' 9 GUA H1 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 237, 278, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 9 GUA H2' 9 GUA H2'' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 288, 289, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 9 GUA H4' 9 GUA H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 266, 269, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 9 GUA H1' 9 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 269, 272, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 9 GUA H2' 9 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 288, 269, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 9 GUA H2' 9 GUA H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 288, 272, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 9 GUA H2'' 9 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 289, 269, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 9 GUA H2'' 9 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 289, 272, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 9 GUA H2' 10 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 288, 305, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 9 GUA H8 10 GUA H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 272, 305, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 9 GUA H2'' 10 GUA H8 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 289, 305, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 10 GUA H8 9 GUA H1 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 305, 278, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 10 GUA H4' 10 GUA H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 299, 302, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 10 GUA H3' 10 GUA H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 319, 305, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 10 GUA H8 22 GUA H1 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 305, 701, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 10 GUA H1' 10 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 302, 305, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 10 GUA H2' 10 GUA H2'' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 321, 322, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 10 GUA H2' 10 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 321, 305, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 10 GUA H2' 10 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 321, 302, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 10 GUA H2'' 10 GUA H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 322, 302, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 10 GUA H2'' 10 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 322, 305, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 10 GUA H3' 10 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 319, 305, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 10 GUA H1' 11 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 302, 338, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 10 GUA H2' 11 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 321, 338, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 10 GUA H8 11 GUA H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 305, 338, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 10 GUA H2'' 11 GUA H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 322, 338, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 11 GUA H8 10 GUA H1 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 338, 311, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 11 GUA H1' 11 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 335, 338, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 11 GUA H2' 11 GUA H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 354, 335, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 11 GUA H2' 11 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 354, 338, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 11 GUA H2'' 11 GUA H2' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 355, 354, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 11 GUA H2'' 11 GUA H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 355, 335, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 11 GUA H2'' 11 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 355, 338, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 11 GUA H3' 11 GUA H8 3.5 6.0
&rst
ixpk= 0, nxpk= 0, iat= 352, 338, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 11 GUA H2' 12 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 354, 371, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 11 GUA H2'' 12 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 355, 371, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 11 GUA H1' 12 THY H6 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 335, 371, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 11 GUA H2'' 13 THY M 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 355, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 406, 407, 408,
&end
#
# 11 GUA H2' 13 THY M 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 354, -1, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr2= 406, 407, 408,
&end
#
# 11 GUA H3' 13 THY M 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 352, -1, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr2= 406, 407, 408,
&end
# 12 THY M 11 GUA H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 338, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
igr1= 374, 375, 376,
&end
#
# 12 THY H2' 11 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 386, 335, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 12 THY M 11 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 335, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr1= 374, 375, 376,
&end
#
# 12 THY M 11 GUA H4' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 332, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr1= 374, 375, 376,
&end
#
# 12 THY H4' 12 THY H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 365, 368, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 12 THY H3' 12 THY H1' 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 384, 368, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 12 THY H1' 12 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 368, 371, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 12 THY H2' 12 THY H2'' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 386, 387, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 12 THY H2' 12 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 386, 371, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 12 THY H2' 12 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 386, 368, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 12 THY H2'' 12 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 387, 368, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 12 THY H2'' 12 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 387, 371, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 12 THY H3' 12 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 384, 371, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 12 THY M 12 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr1= 374, 375, 376,
&end
#
# 12 THY H1' 13 THY H6 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 368, 403, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 12 THY H2' 13 THY H6 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 386, 403, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 12 THY H2'' 13 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 387, 403, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 12 THY H2' 13 THY M 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 386, -1, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr2= 406, 407, 408,
&end
#
# 12 THY H2'' 13 THY M 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 387, -1, r1= 1.30, r2= 1.80, r3= 4.32, r4= 4.82,
igr2= 406, 407, 408,
&end
#
# 12 THY H3' 13 THY M 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 384, -1, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr2= 406, 407, 408,
&end
#
# 12 THY M 13 THY M 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, -1, r1= 2.10, r2= 2.60, r3= 7.21, r4= 7.71,
igr1= 374, 375, 376,
igr2= 406, 407, 408,
&end
#
# 13 THY M 11 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 335, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr1= 406, 407, 408,
&end
#
# 13 THY M 11 GUA H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= -1, 338, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
igr1= 406, 407, 408,
&end
#
# 13 THY H6 12 THY H6 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 403, 371, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 13 THY M 12 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 371, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr1= 406, 407, 408,
&end
#
# 13 THY H2' 13 THY H2'' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 418, 419, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 13 THY H2' 13 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 418, 403, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 13 THY H2' 13 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 418, 400, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 13 THY H2'' 13 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 419, 400, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 13 THY H2'' 13 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 419, 403, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 13 THY H3' 13 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 416, 403, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 13 THY H4' 13 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 397, 400, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 13 THY M 13 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 403, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr1= 406, 407, 408,
&end
#
# 13 THY H1' 13 THY H6 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 400, 403, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 13 THY H3' 13 THY H1' 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 416, 400, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 13 THY H1' 14 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 400, 435, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 13 THY H2' 14 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 418, 435, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 13 THY H2'' 14 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 419, 435, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 13 THY H3' 14 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 416, 435, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 13 THY H6 14 ADE H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 403, 435, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 14 ADE H2 2 ADE H2 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 444, 54, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 14 ADE H1' 14 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 432, 435, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 14 ADE H2' 14 ADE H2'' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 450, 451, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 14 ADE H2' 14 ADE H8 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 450, 435, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 14 ADE H2'' 14 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 451, 435, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 14 ADE H2'' 14 ADE H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 451, 432, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 14 ADE H3' 14 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 448, 435, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 14 ADE H1' 15 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 432, 467, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 14 ADE H2' 15 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 450, 467, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 14 ADE H2'' 15 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 451, 467, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 14 ADE H3' 15 GUA H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 448, 467, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 14 ADE H4' 14 ADE H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 429, 432, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 14 ADE H2' 14 ADE H1' 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 450, 432, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 14 ADE H3' 14 ADE H1' 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 448, 432, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 15 GUA H2' 15 GUA H2'' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 483, 484, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 15 GUA H2' 15 GUA H8 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 483, 467, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 15 GUA H2' 15 GUA H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 483, 464, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 15 GUA H2'' 15 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 484, 467, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 15 GUA H2'' 15 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 484, 464, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 15 GUA H3' 15 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 481, 467, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 15 GUA H1' 16 GUA H1 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 464, 506, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 15 GUA H2' 22 GUA H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 483, 695, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 15 GUA H2'' 22 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 484, 695, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 15 GUA H8 22 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 467, 695, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 16 GUA H8 2 ADE H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 500, 45, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 16 GUA H1' 16 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 497, 500, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 16 GUA H2' 16 GUA H2'' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 516, 517, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 16 GUA H2' 16 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 516, 497, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 16 GUA H2' 16 GUA H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 516, 500, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 16 GUA H2'' 16 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 517, 497, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 16 GUA H2'' 16 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 517, 500, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 16 GUA H4' 16 GUA H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 494, 497, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 16 GUA H1' 17 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 497, 533, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 16 GUA H2' 17 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 516, 533, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 16 GUA H2'' 17 GUA H8 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 517, 533, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 16 GUA H8 17 GUA H1 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 500, 539, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 16 GUA H1 21 GUA H1 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 506, 668, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 17 GUA H1' 16 GUA H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 530, 500, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 17 GUA H8 16 GUA H1 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 533, 506, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 17 GUA H2' 17 GUA H2'' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 549, 550, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 17 GUA H4' 17 GUA H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 527, 530, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 17 GUA H3' 17 GUA H1' 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 547, 530, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 17 GUA H1' 18 THY H6 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 530, 566, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 17 GUA H8 16 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 533, 500, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 17 GUA H1' 17 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 530, 533, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 17 GUA H2' 17 GUA H8 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 549, 533, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 17 GUA H2' 17 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 549, 530, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 17 GUA H2'' 17 GUA H8 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 550, 533, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 17 GUA H2'' 17 GUA H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 550, 530, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 17 GUA H3' 17 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 547, 533, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 17 GUA H2'' 18 THY H6 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 550, 566, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 17 GUA H2' 20 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 549, 630, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 17 GUA H2'' 20 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 550, 630, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 17 GUA H8 20 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 533, 630, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 17 GUA H8 21 GUA H1 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 533, 668, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 18 THY H1' 18 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 563, 566, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 18 THY H2' 18 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 581, 566, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 18 THY H2' 18 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 581, 563, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 18 THY H2'' 18 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 582, 563, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 18 THY H2'' 18 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 582, 566, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 18 THY H4' 18 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 560, 563, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 18 THY M 18 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 566, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr1= 569, 570, 571,
&end
#
# 18 THY H2' 19 THY H6 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 581, 598, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 18 THY H6 20 ADE H2 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 566, 639, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 18 THY H2' 18 THY H2'' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 581, 582, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 18 THY H3' 18 THY H6 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 579, 566, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 18 THY H2'' 19 THY H6 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 582, 598, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 18 THY H1' 19 THY H6 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 563, 598, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 19 THY M 18 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 563, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr1= 601, 602, 603,
&end
#
# 19 THY H2' 19 THY H2'' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 613, 614, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 19 THY H2' 19 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 613, 598, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 19 THY H2' 19 THY H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 613, 595, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 19 THY H2'' 19 THY H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 614, 595, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 19 THY H3' 19 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 611, 598, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 19 THY M 19 THY H6 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= -1, 598, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
igr1= 601, 602, 603,
&end
#
# 19 THY H1' 20 ADE H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 595, 630, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 19 THY H2' 20 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 613, 630, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 19 THY H2'' 20 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 614, 630, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 19 THY H3' 20 ADE H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 611, 630, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 19 THY H4' 19 THY H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 592, 595, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 19 THY H2'' 19 THY H6 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 614, 598, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 20 ADE H2 8 ADE H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 639, 240, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 20 ADE H2 17 GUA H1 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 639, 539, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 20 ADE H1' 20 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 627, 630, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 20 ADE H1' 20 ADE H2 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 627, 639, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 20 ADE H2' 20 ADE H8 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 645, 630, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 20 ADE H2' 20 ADE H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 645, 627, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 20 ADE H2'' 20 ADE H2' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 646, 645, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 20 ADE H2'' 20 ADE H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 646, 627, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 20 ADE H2'' 20 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 646, 630, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 20 ADE H3' 20 ADE H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 643, 630, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 20 ADE H4' 20 ADE H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 624, 627, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 20 ADE H3' 20 ADE H1' 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 643, 627, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 20 ADE H1' 21 GUA H1 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 627, 668, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 20 ADE H2 21 GUA H1 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 639, 668, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 21 GUA H1' 21 GUA H8 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 659, 662, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 21 GUA H2' 21 GUA H2'' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 678, 679, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 21 GUA H2' 21 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 678, 659, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 21 GUA H2' 21 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 678, 662, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 21 GUA H2'' 21 GUA H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 679, 659, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 21 GUA H2'' 21 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 679, 662, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 21 GUA H2'' 21 GUA H2' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 679, 678, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 21 GUA H1' 22 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 659, 695, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 21 GUA H2' 22 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 678, 695, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 21 GUA H8 22 GUA H8 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 662, 695, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
# 21 GUA H2'' 22 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 679, 695, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 22 GUA H1 9 GUA H1 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 701, 278, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 22 GUA H8 16 GUA H1 3.5 6.5
&rst
ixpk= 0, nxpk= 0, iat= 695, 506, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00, &end
#
# 22 GUA H1' 21 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 692, 662, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 22 GUA H2' 22 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 711, 692, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 22 GUA H2' 22 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 711, 695, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 22 GUA H2'' 22 GUA H1' 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 712, 692, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 22 GUA H2'' 22 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 712, 695, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 22 GUA H3' 22 GUA H8 2.6 5.0
&rst
ixpk= 0, nxpk= 0, iat= 709, 695, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 22 GUA H2' 22 GUA H2'' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 711, 712, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 22 GUA H4' 22 GUA H1' 1.8 3.6
&rst
ixpk= 0, nxpk= 0, iat= 689, 692, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10, &end
#
# 22 GUA H1' 22 GUA H8 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 692, 695, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end
#
# 22 GUA H3' 22 GUA H1' 2.6 5
&rst
ixpk= 0, nxpk= 0, iat= 709, 692, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, &end# Restraints file 2: hydrogen_bond.str
#Hydrogen bond restraints
#
# 10 GUA H1 3 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 311, 81, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40,
rk2=40.0, rk3=40.0, nstep1 = 0, nstep2 = 200000,ir6=1, ialtd=0,
&end
#
# 10 GUA H21 3 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 314, 78, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 22 GUA H1 10 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 701, 309, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 22 GUA H21 10 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 704, 306, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 16 GUA H1 22 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 506, 699, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 16 GUA H21 22 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 509, 696, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 3 GUA H1 16 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 83, 504, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 3 GUA H21 16 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 86, 501, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 4 GUA H1 9 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 116, 276, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 4 GUA H21 9 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 119, 273, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 9 GUA H1 21 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 278, 666, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 9 GUA H21 21 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 281, 663, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 21 GUA H1 17 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 668, 537, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 21 GUA H21 17 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 671, 534, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 17 GUA H1 4 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 539, 114, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 17 GUA H21 4 GUA N7 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 542, 111, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 15 GUA H1 11 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 473, 342, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 20 ADE H61 5 GUA O6 1.7 1.9
&rst
ixpk= 0, nxpk= 0, iat= 635, 147, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, &end
#
# 5 GUA H1 20 ADE N1 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 149, 637, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end
#
# 8 ADE H61 20 ADE N3 1.9 2.1
&rst
ixpk= 0, nxpk= 0, iat= 245, 640, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, &end# Restraints file 3: torsion_angle.str
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