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 subsubtype
627917 5o4d 34145 cing 1-original 3 AMBER distance NOE simple


# Restraints file 2: dist.rst
#HYDROGEN BONDS
#1st QUARTET (2-12-20-6)
# 2   DG   H1     6   DG  O6    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 180, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, 				
      rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, ir6=1, ialtd=0,
 &end
#
# 2   DG   H21    6   DG  N7    1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat=  55, 177, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 6   DG   H1     20  DG  O6    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 629, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 6   DG   H21    20  DG  N7    1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 626, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 20  DG   H1     12  DG  O6    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 374, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 20  DG   H21    12  DG  N7    1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 634, 371, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 12  DG   H1     2   DG  O6    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  50, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 12  DG   H21    2   DG  N7    1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 379,  47, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
#2nd QUARTET (1-13-21-7)
# 1   DG   H1     13  DG  O6    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 407, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 1   DG   H21    13  DG  N7    1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat=  22, 404, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 13  DG   H1     21  DG  O6    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 662, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 13  DG   H21    21  DG  N7    1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 659, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 21  DG   H1     7   DG  O6    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 213, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 21  DG   H21    7   DG  N7    1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 667, 210, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 7   DG   H1     1   DG  O6    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 215,  17, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 7   DG   H21    1   DG  N7    1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 218,  14, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
#3rd QUARTET (11-14-22-8)
# 11  DG   H1     14  DG  O6    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 440, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 11  DG   H21    14  DG  N7    1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 437, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 14  DG   H1     22  DG  O6    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 695, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 14  DG   H21    22  DG  N7    1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 692, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 22  DG   H1     8   DG  O6    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 246, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 22  DG   H21    8   DG  N7    1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 700, 243, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 8   DG   H1     11  DG  O6    1.7     1.9
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 341, r1= 1.20, r2= 1.70, r3= 1.90, r4= 2.40, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#
# 8   DG   H21    11  DG  N7    1.9     2.1
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 338, r1= 1.40, r2= 1.90, r3= 2.10, r4= 2.60, rk2=30.0, rk3=30.0, nstep1=0, nstep2=300000, &end
#





#NOE RESTRAINTS
# 1	DG	H1'	1	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  13, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50, 
      rk2=10.0, rk3=10.0, nstep1=100000, nstep2=300000, ir6=1, ialtd=0,
 &end
#
# 1	DG	H1'	2	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  46, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 1	DG	H2'	1	DG	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,   7, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 1	DG	H2'	1	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  27, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 1	DG	H2'	2	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  46, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 1	DG	H2''	1	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  13, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 1	DG	H3'	1	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  13, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 1	DG	H4'	1	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  27, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 1	DG	H4'	11	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat=   7, 337, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 2	DG	H1'	2	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  46, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 2	DG	H2'	2	DG	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  40, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 2	DG	H2'	2	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  46, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 2	DG	H2''	2	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  46, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 2	DG	H2''	3	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  79, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 2	DG	H3'	2	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  46, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 2	DG	H3'	3	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  79, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 2	DG	H4'	2	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  46, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 2	DG	H4'	2	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  60, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 2	DG	H8	3	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat=  46,  79, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 3	DG	H1'	3	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  79, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 3	DG	H1'	4	DT	H6	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat=  76, 112, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 3	DG	H2'	3	DG	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  73, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 3	DG	H2'	3	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  79, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 3	DG	H2'	4	DT	H6	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat=  95, 112, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 3	DG	H2''	4	DT	H6	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat=  96, 112, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 3	DG	H3'	3	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  79, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 3	DG	H3'	4	DT	H6	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 112, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 3	DG	H4'	3	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat=  73,  93, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 4	DT	H1'	4	DT	H6	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 112, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 4	DT	H1'	5	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 144, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 4	DT	H1'	5	DA	H2	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 153, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 4	DT	H2'	4	DT	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 125, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 4	DT	H2'	4	DT	H6	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 112, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 4	DT	H2''	4	DT	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 125, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 4	DT	H2''	4	DT	H6	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 112, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 4	DT	H3'	4	DT	H1'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 109, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 4	DT	H3'	4	DT	H6	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 112, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 4	DT	H4'	4	DT	H5'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 103, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 4	DT	H4'	4	DT	H6	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 112, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 4	DT	H4'	4	DT	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 125, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 4	DT	H4'	5	DA	H2	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 153, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 4	DT	H4'	5	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 144, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 4	DT	H5'	4	DT	H6	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 103, 112, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 4	DT	H5'	4	DT	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 103, 125, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 4	DT	H5''	4	DT	H6	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 112, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 4	DT	H5''	4	DT	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 125, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 4	DT	H5''	5	DA	H2	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 153, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 4	DT	H6	3	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  79, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 4	DT	C7	3	DG	H8	2.0	5.5	 (#medium1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 114,  79, r1= 1.50, r2= 2.00, r3= 5.50, r4= 6.00,  &end
#
# 4	DT	C7	4	DT	H6	2.0	5.5	 (#medium1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 112, r1= 1.50, r2= 2.00, r3= 5.50, r4= 6.00,  &end
#
# 5	DA	H1'	5	DA	H2	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 153, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 5	DA	H1'	5	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 144, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 5	DA	H2'	5	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 144, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 5	DA	H2'	5	DA	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 138, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 5	DA	H2''	5	DA	H5'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 135, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 5	DA	H2''	5	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 144, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 5	DA	H2''	5	DA	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 138, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 5	DA	H2''	5	DA	H5''	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 136, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 5	DA	H3'	5	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 144, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 5	DA	H4'	5	DA	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 157, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 5	DA	H4'	5	DA	H2	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 153, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 5	DA	H5'	5	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 144, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 5	DA	H5'	5	DA	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 157, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 5	DA	H5''	5	DA	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 136, 157, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 6	DG	H1'	5	DA	H2	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 153, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 6	DG	H1'	6	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 176, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 6	DG	H2'	6	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 190, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 6	DG	H2'	6	DG	H4'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 170, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 6	DG	H2'	6	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 176, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 6	DG	H2''	6	DG	H4'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 170, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 6	DG	H2''	6	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 190, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 6	DG	H2''	6	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 176, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 6	DG	H2''	7	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 209, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 6	DG	H3'	6	DG	H1'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 173, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 6	DG	H3'	7	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 209, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 6	DG	H4'	6	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 190, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 6	DG	H8	5	DA	H2	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 153, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 6	DG	H8	7	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 209, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 7	DG	H1'	8	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 242, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 7	DG	H2'	7	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 209, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 7	DG	H2''	7	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 209, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 7	DG	H2''	7	DG	H5''	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 201, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 7	DG	H2''	8	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 242, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 7	DG	H3'	7	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 209, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 7	DG	H3'	8	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 242, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 7	DG	H4'	7	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 223, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 7	DG	H4'	7	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 209, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 8	DG	H1'	8	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 242, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 8	DG	H2'	8	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 242, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 8	DG	H2'	8	DG	H5''	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 234, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 8	DG	H3'	8	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 242, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 8	DG	H4'	8	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 256, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 8	DG	H4'	8	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 242, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 8	DG	H5'	8	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 233, 256, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 8	DG	H5'	8	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 233, 242, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 8	DG	H8	7	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 209, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 9	DC	H1'	10	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 305, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 9	DC	H2'	10	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 305, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 9	DC	H2''	10	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 305, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 9	DC	H2''	10	DA	H5''	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 297, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 9	DC	H3'	9	DC	H1'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 272, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 9	DC	H3'	10	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 286, 305, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 9	DC	H4'	9	DC	H1'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 272, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 9	DC	H4'	10	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 269, 305, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 9	DC	H5'	9	DC	H4'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 266, 269, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 9	DC	H5''	9	DC	H4'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 269, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 9	DC	H5''	9	DC	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 286, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 9	DC	H5''	10	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 305, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 10	DA	H1'	10	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 305, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 10	DA	H1'	10	DA	H2	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 314, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 10	DA	H2'	10	DA	H5''	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 297, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 10	DA	H2'	10	DA	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 299, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 10	DA	H2'	10	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 305, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 10	DA	H2''	10	DA	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 299, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 10	DA	H2''	10	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 305, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 10	DA	H2''	10	DA	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 318, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 10	DA	H3'	10	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 305, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 10	DA	H3'	10	DA	H1'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 302, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 10	DA	H4'	10	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 305, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 10	DA	H4'	10	DA	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 318, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 10	DA	H4'	11	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 337, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 10	DA	H5'	9	DC	H1'	3.6	6.5	 (#weak	)
# &rst
#  ixpk= 0, nxpk= 0, iat= 296, 272, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 10	DA	H5'	10	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 305, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 10	DA	H5'	10	DA	H5''	1.8	3.6	 (#strong	)
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 297, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10	DA	H5'	10	DA	H4'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 299, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 10	DA	H5'	10	DA	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 318, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 10	DA	H5'	11	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 296, 337, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 10	DA	H5''	9	DC	H1'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 272, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 10	DA	H5''	10	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 305, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 10	DA	H5''	10	DA	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 318, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 10	DA	H5''	11	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 337, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 11	DG	H1'	11	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 337, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 11	DG	H2'	1	DG	H5''	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 353,   5, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 11	DG	H2'	11	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 337, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 11	DG	H2''	11	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 337, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 11	DG	H4'	10	DA	H1'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 302, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 11	DG	H8	1	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  13, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 11	DG	H8	10	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 337,  305, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 12	DG	H1'	12	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 367, 370, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 12	DG	H2'	12	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 370, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 12	DG	H2'	19	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 386, 593, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 12	DG	H2''	12	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 370, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 12	DG	H2''	12	DG	H4'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 364, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 12	DG	H3'	12	DG	H1'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 367, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 12	DG	H3'	12	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 384, 370, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 12	DG	H4'	12	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 384, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 12	DG	H4'	12	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 364, 370, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 12	DG	H8	13	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 403, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 12	DG	H8	19	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 370, 593, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 13	DG	H1'	12	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 370, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 13	DG	H1'	13	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 403, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 13	DG	H1'	14	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 400, 436, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 13	DG	H2'	13	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 403, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 13	DG	H2'	13	DG	C5'	3.1	7.0	 (#weak1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 393, r1= 2.60, r2= 3.10, r3= 7.00, r4= 7.50,  &end
#
# 13	DG	H2'	13	DG	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 397, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 13	DG	H2'	14	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 436, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 13	DG	H2''	13	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 403, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 13	DG	H2''	14	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 436, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 13	DG	H3'	13	DG	H1'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 400, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 13	DG	H3'	13	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 403, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 13	DG	H3'	14	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 436, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 13	DG	H4'	13	DG	H1'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 400, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 14	DG	H1'	14	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 436, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 14	DG	H1'	15	DA	H2	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 433, 478, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 14	DG	H3'	14	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 450, 436, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 14	DG	H4'	14	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 436, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 14	DG	H4'	15	DA	H2	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 430, 478, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 14	DG	H5'	14	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 436, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 14	DG	H5'	15	DA	H2	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 478, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 14	DG	H5'	15	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 427, 469, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 14	DG	H5''	14	DG	H4'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 430, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 14	DG	H5''	14	DG	H5'	1.8	3.6	 (#strong	)
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 427, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 14	DG	H5''	15	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 469, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 14	DG	C2'	14	DG	H4'	3.1	7.0	 (#weak1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 430, r1= 2.60, r2= 3.10, r3= 7.00, r4= 7.50,  &end
#
# 14	DG	C2'	14	DG	H8	2.0	5.5	 (#medium1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 436, r1= 1.50, r2= 2.00, r3= 5.50, r4= 6.00,  &end
#
# 15	DA	H1'	15	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 469, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 15	DA	H1'	15	DA	H2	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 478, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 15	DA	H1'	17	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 531, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 15	DA	H2'	15	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 469, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 15	DA	H2'	15	DA	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 482, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 15	DA	H2'	15	DA	H4'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 463, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 15	DA	H2''	15	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 469, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 15	DA	H2''	15	DA	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 482, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 15	DA	H3'	15	DA	H1'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 466, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 15	DA	H3'	15	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 469, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 15	DA	H4'	15	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 469, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 15	DA	H4'	15	DA	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 463, 482, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 16	DC	H1'	17	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 498, 531, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 16	DC	H2'	16	DC	C5'	3.1	7.0	 (#weak1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 514, 491, r1= 2.60, r2= 3.10, r3= 7.00, r4= 7.50,  &end
#
# 16	DC	H2'	16	DC	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 514, 495, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 16	DC	H2'	17	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 514, 531, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 16	DC	H2''	16	DC	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 495, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 16	DC	H2''	16	DC	C5'	3.1	7.0	 (#weak1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 515, 491, r1= 2.60, r2= 3.10, r3= 7.00, r4= 7.50,  &end
#
# 16	DC	H3'	17	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 512, 531, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 16	DC	H4'	16	DC	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 512, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 16	DC	H4'	16	DC	H1'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 498, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 17	DA	H1'	15	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 469, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 17	DA	H1'	17	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 528, 531, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 17	DA	H3'	17	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 531, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 17	DA	H4'	17	DA	H1'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 528, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 17	DA	H4'	17	DA	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 544, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 17	DA	H4'	17	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 531, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 17	DA	C2'	15	DA	H8	3.1	7.0	 (#weak1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 469, r1= 2.60, r2= 3.10, r3= 7.00, r4= 7.50,  &end
#
# 17	DA	C2'	17	DA	H8	2.0	5.5	 (#medium1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 531, r1= 1.50, r2= 2.00, r3= 5.50, r4= 6.00,  &end
#
# 17	DA	C2'	17	DA	C5'	2.0	5.5	 (#medium1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 521, r1= 1.50, r2= 2.00, r3= 5.50, r4= 6.00,  &end
#
# 17	DA	C2'	17	DA	H1'	2.0	5.5	 (#medium1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 528, r1= 1.50, r2= 2.00, r3= 5.50, r4= 6.00,  &end
#
# 17	DA	C2'	17	DA	H3'	2.0	5.5	 (#medium1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 544, r1= 1.50, r2= 2.00, r3= 5.50, r4= 6.00,  &end
#
# 17	DA	C2'	17	DA	H4'	2.0	5.5	 (#medium1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 525, r1= 1.50, r2= 2.00, r3= 5.50, r4= 6.00,  &end
#
# 17	DA	C2'	18	DC	H5'	2.0	5.5	 (#medium1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 554, r1= 1.50, r2= 2.00, r3= 5.50, r4= 6.00,  &end
#
# 17	DA	C2'	18	DC	H6	2.0	5.5	 (#medium1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 563, r1= 1.50, r2= 2.00, r3= 5.50, r4= 6.00,  &end
#
# 18	DC	H1'	18	DC	H6	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 563, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 18	DC	H1'	19	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 593, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 18	DC	H2'	18	DC	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 557, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 18	DC	H2'	19	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 593, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 18	DC	H2''	18	DC	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 577, 557, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 18	DC	H3'	19	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 593, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 19	DA	H1'	19	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 590, 593, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 19	DA	H2'	19	DA	H5'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 584, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 19	DA	H2'	19	DA	H5''	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 585, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 19	DA	H2'	19	DA	H4'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 587, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 19	DA	H2'	19	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 593, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 19	DA	H2''	19	DA	H4'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 587, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 19	DA	H2''	19	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 593, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 19	DA	H3'	19	DA	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 593, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 19	DA	H4'	19	DA	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 606, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 19	DA	H4'	19	DA	H1'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 590, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 19	DA	H4'	20	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 625, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 19	DA	H5'	19	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 593, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 19	DA	H5'	19	DA	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 606, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 19	DA	H5'	19	DA	H4'	1.8	3.6	 (#strong	)
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 587, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 19	DA	H5''	19	DA	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 606, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 19	DA	H5''	19	DA	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 593, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 19	DA	H5''	19	DA	H4'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 587, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 20	DG	H1'	20	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 625, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 20	DG	H1'	21	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 658, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 20	DG	H2'	20	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 625, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 20	DG	H2'	20	DG	H5''	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 617, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 20	DG	H2'	20	DG	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 619, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 20	DG	H2'	21	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 658, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 20	DG	H2''	20	DG	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 619, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 20	DG	H2''	20	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 625, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 20	DG	H2''	20	DG	H5''	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 617, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 20	DG	H2''	20	DG	H5'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 616, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 20	DG	H2''	21	DG	H5'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 649, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 20	DG	H2''	21	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 658, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 20	DG	H2''	21	DG	H5''	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 650, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 20	DG	H2''	21	DG	H3'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 672, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 20	DG	H3'	20	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 625, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 20	DG	H3'	21	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 658, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 20	DG	H4'	20	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 619, 639, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 20	DG	H4'	20	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 619, 625, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end

# 20	DG	H8	21	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 658, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 21	DG	H1'	20	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 625, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 21	DG	H1'	21	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 658, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 21	DG	H1'	22	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 691, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 21	DG	H2'	21	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 658, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 21	DG	H2'	21	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 672, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 21	DG	H2'	22	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 691, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 21	DG	H2''	21	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 672, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 21	DG	H2''	21	DG	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 652, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 21	DG	H2''	21	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 658, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 21	DG	H2''	22	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 691, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 21	DG	H3'	21	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 658, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 21	DG	H3'	22	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 691, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 21	DG	H4'	21	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 672, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 21	DG	H4'	21	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 658, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 21	DG	H5'	20	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 625, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 21	DG	H5''	20	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 625, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 21	DG	H5''	21	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 672, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 21	DG	H5''	21	DG	H4'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 652, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 21	DG	H5''	21	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 650, 658, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 22	DG	H1'	22	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 691, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 22	DG	H1'	23	DT	H6	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 724, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 22	DG	H2'	22	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 705, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 22	DG	H2'	22	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 691, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 22	DG	H2'	23	DT	H6	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 724, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 22	DG	H2''	22	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 705, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 22	DG	H2''	22	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 691, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 22	DG	H2''	23	DT	H6	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 724, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 22	DG	H2''	23	DT	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 718, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 22	DG	H3'	22	DG	H1'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 688, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 22	DG	H3'	22	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 691, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 22	DG	H3'	23	DT	H6	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 724, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 22	DG	H4'	22	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 691, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 22	DG	H4'	22	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 705, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 22	DG	H4'	22	DG	H1'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 685, 688, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 22	DG	H5'	22	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 691, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 22	DG	H5'	22	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 705, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 22	DG	H5''	22	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 691, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 22	DG	H5''	22	DG	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 683, 705, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 22	DG	H8	21	DG	H8	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 691, 658, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 23	DT	H1'	23	DT	H6	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 721, 724, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 23	DT	H2'	23	DT	H6	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 724, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 23	DT	H2'	23	DT	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 737, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 23	DT	H2'	23	DT	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 739, 718, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 23	DT	H2''	23	DT	H6	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 724, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 23	DT	H2''	23	DT	H4'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 718, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,    &end
#
# 23	DT	H2''	23	DT	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 740, 737, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 23	DT	H3'	23	DT	H6	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 737, 724, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 23	DT	H4'	23	DT	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 737, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 23	DT	H4'	23	DT	H1'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 721, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 23	DT	H5'	23	DT	H3'	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 737, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 23	DT	H6	22	DG	H8	2.5	5.0	 (#medium	)
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 691, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 23	DT	C7	10	DA	H2	3.1	7.0	 (#weak1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 314, r1= 2.60, r2= 3.10, r3= 7.00, r4= 7.50,  &end
#
# 23	DT	C7	22	DG	H8	2.0	5.5	 (#medium1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 691, r1= 1.50, r2= 2.00, r3= 5.50, r4= 6.00,  &end
#
# 23	DT	C7	23	DT	H6	2.0	5.5	 (#medium1	)
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 724, r1= 1.50, r2= 2.00, r3= 5.50, r4= 6.00,  &end
#
##NOEs OF EXCHANGEABLE PROTONS
# 1	DG	H1	7	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 215, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 2	DG	H1	7	DG	H1	1.8	4.1	 (#strong(80))
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 215, r1= 1.30, r2= 1.80, r3= 4.10, r4= 4.60,  &end
#
# 2	DG	H1	6	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 182, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 6	DG	H1	20	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 631, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 8	DG	H1	1	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  19, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 8	DG	H1	7	DG	H1	2.5	5.0	 (#medium(80))
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 215, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
# 8	DG	H1	22	DG	H1	2.5	5.0	 (#medium(80))
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 697, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
# 11	DG	H1	1	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 343,  19, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 12	DG	H1	2	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  52, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 12	DG	H1	20	DG	H1	2.5	5.0	 (#medium(80))
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 631, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
# 13	DG	H1	20	DG	H1	2.5	5.0	 (#medium(80))
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 631, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
# 14	DG	H1	13	DG	H1	2.5	5.0	 (#medium(80))
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 409, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
# 14	DG	H1	22	DG	H1	2.5	5.0	 (#medium(80))
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 697, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
# 21	DG	H1	7	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 215, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 22	DG	H1	21	DG	H1	2.5	5.0	 (#medium(80))
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 664, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
# 1	DG	H1	11	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 337, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 1	DG	H1	13	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 403, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 2	DG	H1	1	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  13, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 2	DG	H1	6	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 176, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 6	DG	H1	20	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 625, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 7	DG	H1	1	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 215,  13, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 8	DG	H1	1	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 248,  13, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 8	DG	H1	11	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 337, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 11	DG	H1	13	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 403, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 11	DG	H1	14	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 343, 436, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 12	DG	H1	2	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 376,  46, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 13	DG	H1	21	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 658, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 14	DG	H1	21	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 658, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 14	DG	H1	22	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 691, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 21	DG	H1	7	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 664, 209, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 22	DG	H1	7	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 209, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 22	DG	H1	8	DG	H8	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 697, 242, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 13	DG	H2'	11	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 343, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 11	DG	H2''	1	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 354,  19, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 13	DG	H2''	11	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 343, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 5	DA	H8	6	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 182, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 5	DA	H2	2	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 153,  52, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 5	DA	H2	6	DG	H1	2.5	5.0	 (#medium(80))
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 182, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
# 5	DA	H2'	6	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 182, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 5	DA	H2''	6	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 182, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 10	DA	H8	8	DG	H1	3.6	7.0	 (#weak(80,P))
 &rst
  ixpk= 0, nxpk= 0, iat= 305, 248, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 10	DA	H2	8	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 248, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 10	DA	H2	11	DG	H1	2.5	5.0	 (#medium(80))
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 343, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
# 10	DA	H2	14	DG	H1	2.5	5.0	 (#medium(80))
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 442, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
# 10	DA	H2	22	DG	H1	2.5	5.0	 (#medium(80))
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 697, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
# 10	DA	H1'	11	DG	H1	2.5	5.0	 (#medium(80))
 &rst
  ixpk= 0, nxpk= 0, iat= 302, 343, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
# 19	DA	H2	2	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 602,  52, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 19	DA	H2	6	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 182, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 19	DA	H2	12	DG	H1	3.6	7.0	 (#medium(80)-> weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 376, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 19	DA	H2	20	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 602, 631, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 19	DA	H2''	20	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 631, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 9	DC	H2'	8	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 248, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 9	DC	H2''	8	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 289, 248, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 23	DT	H6	22	DG	H1	3.6	7.0	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 724, 697, r1= 3.10, r2= 3.60, r3= 7.00, r4= 7.50,  &end
#
# 23	DT	C7	14	DG	H1	3.6	7.5	 (#weak1)
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 442, r1= 3.10, r2= 3.60, r3= 7.50, r4= 8.00,  &end
#
#
#ADDITIONAL NOEs
# 9	DC	H5''	10	DA	H8	3.6	6.5	 (#additional NOE)
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 305, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,   &end
#
# 18	DC	H5'	17	DA	H8	3.6	6.5	 (#additional NOE )
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 531, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,   &end
#
# 18	DC	H5'	17	DA	H8	3.6	6.5	 (#additional NOE )
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 531, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,   &end
#
# 16	DC	H4'	17	DA	H8	3.6	6.5	 (#additional NOE )
 &rst
  ixpk= 0, nxpk= 0, iat= 495, 531, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,   &end

# 5	DA	H8	19	DA	H8	3.6	6.0	 (#additional NOE)
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 593, r1= 3.10, r2= 3.60, r3= 6.00, r4= 6.50,   &end
#
# 23	DT	H5'	22	DG	H1'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 688, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,  &end
#
# 23	DT	H4'	22	DG	H1'	3.6	6.5	 (#weak	)
 &rst
  ixpk= 0, nxpk= 0, iat= 718, 688, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,  &end
#
# 23	DT	H3	10	DA	N1		 (#H bond not observed	)
 &rst
  ixpk= 0, nxpk= 0, iat= 733, 312, r1= 3.00, r2= 3.50, r3= 10.50, r4= 11.00,  &end
#
# 23	DT	O2	10	DA	N61		 (#H bond not observed)
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 310, r1= 3.00, r2= 3.50, r3= 10.50, r4= 11.00,  &end
#
# 23	DT	O2	10	DA	N62		 (#H bond not observed	)
 &rst
  ixpk= 0, nxpk= 0, iat= 735, 311, r1= 3.00, r2= 3.50, r3= 10.50, r4= 11.00,  &end
#
# 4	DT	H4'	5	DA	N1		 (#GTA loop	)
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 151, r1= 1.70, r2= 2.20, r3= 3.5, r4= 4.0,  &end
#
# 4	DT	H4'	5	DA	N3		 (#GTA loop    )
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 154, r1= 1.70, r2= 2.20, r3= 3.0, r4= 3.5,  &end
#
# 4	DT	H4'	5	DA	N7		 (#GTA loop    )
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 145, r1= 1.70, r2= 2.20, r3= 3.5, r4= 4.0,  &end
#
# 4	DT	H4'	5	DA	N9		 (#GTA loop    )
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 142, r1= 1.70, r2= 2.20, r3= 3.5, r4= 4.0,  &end
#
# 15	DA	H1'	17	DA	H2	3.6	6.5	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 540, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,  &end
#
# 15	DA	H3'	17	DA	H2	3.6	6.5	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 540, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,  &end
#
# 15	DA	H2'	17	DA	H2	3.6	6.5	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 484, 540, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,  &end
#
# 17	DA	C2'	15	DA	H2	3.6	6.5	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 478, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,  &end
#
# 14	DG	C2'	15	DA	H2	3.6	6.5	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 478, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,  &end
#
# 17	DA	C2'	15	DA	H2	3.6	6.5	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 545, 478, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,  &end
#
# 13	DG	H3'	15	DA	H2	3.6	6.5	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 417, 478, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,  &end
#
# 13	DG	H4'	15	DA	H2	3.6	6.5	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 478, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,  &end
#
# 13	DG	H22	15	DA	H2	3.6	6.5	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 413, 478, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,  &end
#
# 13	DG	H21	15	DA	H2	3.6	6.5	 (#weak)
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 478, r1= 3.10, r2= 3.60, r3= 6.50, r4= 7.00,  &end







Please acknowledge these references in publications where the data from this site have been utilized.

Contact the webmaster for help, if required. Tuesday, April 23, 2024 3:34:59 PM GMT (wattos1)