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

608178 5lig 34025 cing 1-original 4 AMBER distance NOE simple
# Restraints file 4: NOE_distance_restraint.mr
#NOE distance restraint
#
# 1	THY	H1'	1	THY	H2'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  28, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50, 
      rk2=20.0, rk3=20.0, nstep1 = 3000, nstep2 = 200000, ir6 = 0, ialtd=0,
 &end
#
# 1	THY	H1'	1	THY	H2''	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  29, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 1	THY	H1'	1	THY	H4'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  10,   7, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 1	THY	H1'	1	THY	H6	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 1	THY	H1'	1	THY	M	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  -1, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr2=  16,  17,  18,
 &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	H3'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  26, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 1	THY	H2'	1	THY	H4'	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  28,   7, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 1	THY	H2'	1	THY	H6	2.6	5
 &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	Q5'	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  -1, r1= 3.00, r2= 3.50, r3= 7.30, r4= 7.80,
 igr2=   4,   5,
 &end
#
# 1	THY	H2''	1	THY	H3'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  26, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 1	THY	H2''	1	THY	H4'	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  29,   7, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 1	THY	H2''	1	THY	H6	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 1	THY	H2''	1	THY	M	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  -1, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr2=  16,  17,  18,
 &end
#
# 1	THY	H2''	1	THY	Q5'	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  -1, r1= 3.00, r2= 3.50, r3= 7.30, r4= 7.80,
 igr2=   4,   5,
 &end
#
# 1	THY	H3'	1	THY	H4'	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat=  26,   7, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 1	THY	H3'	1	THY	H6	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  13, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 1	THY	H3'	1	THY	M	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  -1, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr2=  16,  17,  18,
 &end
#
# 1	THY	H3'	1	THY	Q5'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  -1, r1= 2.10, r2= 2.60, r3= 5.61, r4= 6.11,
 igr2=   4,   5,
 &end
#
# 1	THY	H4'	1	THY	H6	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  13, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 1	THY	H4'	1	THY	Q5'	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  -1, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr2=   4,   5,
 &end
#
# 1	THY	H6	1	THY	M	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr2=  16,  17,  18,
 &end
#
# 1	THY	H6	1	THY	Q5'	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 3.00, r2= 3.50, r3= 7.30, r4= 7.80,
 igr2=   4,   5,
 &end
#
# 1	THY	Q5'	1	THY	M	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.00, r2= 3.50, r3= 8.76, r4= 9.26,
 igr1=   4,   5,
 igr2=  16,  17,  18,
 &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	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  45, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 1	THY	H3'	2	ADE	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  45, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 1	THY	H6	2	ADE	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  45, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 2	ADE	H8	1	THY	H4'	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  45,   7, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 2	ADE	H1'	2	ADE	H3'	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  58, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 2	ADE	H1'	2	ADE	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  45, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 2	ADE	H3'	2	ADE	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  45, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 2	ADE	Q2'	2	ADE	H3'	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  58, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1=  60,  61,
 &end
#
# 2	ADE	Q2'	2	ADE	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  45, r1= 2.10, r2= 2.60, r3= 5.61, r4= 6.11,
 igr1=  60,  61,
 &end
#
# 2	ADE	H1'	3	GUA	H8	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  77, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 2	ADE	H3'	3	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  77, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 3	GUA	H8	2	ADE	Q2'	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  -1, r1= 3.00, r2= 3.50, r3= 7.30, r4= 7.80,
 igr2=  60,  61,
 &end
#
# 3	GUA	H1'	3	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  77, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 3	GUA	H2'	3	GUA	H1'	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  74, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 3	GUA	H2'	3	GUA	H8	2.6	5
 &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	H1'	2.6	5
 &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
 &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	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  77, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 3	GUA	H2'	4	GUA	H8	2.6	5
 &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	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat=  94, 110, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 3	GUA	H1	7	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 208, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 3	GUA	H8	16	GUA	H1	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 508, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 3	GUA	H8	17	GUA	H1	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 541, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 4	GUA	H8	3	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 110,  77, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 4	GUA	H1'	4	GUA	H8	2.6	5
 &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	H1'	2.6	5
 &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	H8	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 126, 110, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 4	GUA	H2''	4	GUA	H1'	2.6	5
 &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
 &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	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	H3'	4	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 110, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 4	GUA	H1	8	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 116, 241, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 4	GUA	H8	17	GUA	H1	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 541, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 4	GUA	H8	18	GUA	H1	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 574, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 5	GUA	H1	4	GUA	H1	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 116, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 5	GUA	H8	4	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 110, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 5	GUA	H1'	5	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 140, 143, 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	H4'	5	GUA	H1'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 140, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 5	GUA	H4'	5	GUA	H3'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 157, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 5	GUA	Q5'	5	GUA	H1'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 2.10, r2= 2.60, r3= 5.61, r4= 6.11,
 igr1= 134, 135,
 &end
#
# 5	GUA	Q5'	5	GUA	H3'	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 157, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 134, 135,
 &end
#
# 5	GUA	H1	8	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 241, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 5	GUA	H1	9	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 274, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 6	ADE	H1'	6	ADE	H2	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 185, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 6	ADE	H1'	6	ADE	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 176, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 6	ADE	H3'	6	ADE	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	ADE	H3'	6	ADE	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 176, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 6	ADE	Q2'	6	ADE	H1'	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 173, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 191, 192,
 &end
#
# 6	ADE	Q2'	6	ADE	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 176, r1= 2.10, r2= 2.60, r3= 5.61, r4= 6.11,
 igr1= 191, 192,
 &end
#
# 7	GUA	H8	4	GUA	H1	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 116, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 7	GUA	H1'	7	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 208, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 7	GUA	H2'	7	GUA	H1'	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 205, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 7	GUA	H2'	7	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 208, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 7	GUA	H2''	7	GUA	H1'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 205, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 7	GUA	H2''	7	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 208, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 7	GUA	H3'	7	GUA	H1'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 205, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 7	GUA	H3'	7	GUA	H2'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 224, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 7	GUA	H3'	7	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 208, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 7	GUA	H8	7	GUA	H1'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 205, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 7	GUA	H1'	8	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 241, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 7	GUA	H2'	8	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 224, 241, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 7	GUA	H2''	8	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 241, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 7	GUA	H3'	8	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 241, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 7	GUA	H1	12	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 214, 371, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 8	GUA	H1'	8	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 241, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 8	GUA	H2'	8	GUA	H1'	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 238, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 8	GUA	H2'	8	GUA	H3'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 255, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 8	GUA	H2'	8	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 257, 241, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 8	GUA	H2''	8	GUA	H1'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 238, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 8	GUA	H2''	8	GUA	H8	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 241, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 8	GUA	H3'	8	GUA	H1'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 238, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 8	GUA	H3'	8	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 255, 241, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 8	GUA	H1'	9	GUA	H8	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 274, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 8	GUA	H1	12	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 371, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 8	GUA	H1	13	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 247, 404, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 9	GUA	H1	8	GUA	H1	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 247, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 9	GUA	H1'	9	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 274, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 9	GUA	H2'	9	GUA	H1'	2.5	5
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 271, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 9	GUA	H2'	9	GUA	H8	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 274, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 9	GUA	H2''	9	GUA	H1'	2.5	5
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 271, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 9	GUA	H2''	9	GUA	H8	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 274, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 9	GUA	H3'	9	GUA	H1'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 271, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 9	GUA	H3'	9	GUA	H2'	2.5	5
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 290, r1= 2.00, r2= 2.50, r3= 5.00, r4= 5.50,  &end
#
# 9	GUA	H3'	9	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 274, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 9	GUA	H1'	11	ADE	H2	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 271, 348, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 9	GUA	H1	13	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 404, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 9	GUA	H1	14	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 437, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 10	THY	Q5'	9	GUA	H1'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 271, r1= 2.10, r2= 2.60, r3= 5.61, r4= 6.11,
 igr1= 298, 299,
 &end
#
# 10	THY	H1'	10	THY	H2'	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 322, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10	THY	H1'	10	THY	H2''	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 323, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10	THY	H1'	10	THY	H4'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 301, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 10	THY	H1'	10	THY	H6	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 307, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 10	THY	H1'	10	THY	M	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 304,  -1, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr2= 310, 311, 312,
 &end
#
# 10	THY	H1'	10	THY	Q5'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 304,  -1, r1= 2.10, r2= 2.60, r3= 5.61, r4= 6.11,
 igr2= 298, 299,
 &end
#
# 10	THY	H2'	10	THY	H2''	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 323, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 10	THY	H2'	10	THY	H4'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 301, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 10	THY	H2'	10	THY	H6	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 307, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 10	THY	H2'	10	THY	M	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 322,  -1, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr2= 310, 311, 312,
 &end
#
# 10	THY	H2''	10	THY	H6	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 307, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 10	THY	H2''	10	THY	M	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 323,  -1, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr2= 310, 311, 312,
 &end
#
# 10	THY	H3'	10	THY	H2'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 322, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 10	THY	H3'	10	THY	H2''	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 323, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 10	THY	H3'	10	THY	H4'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 301, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 10	THY	H3'	10	THY	H6	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 307, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 10	THY	H3'	10	THY	Q5'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 320,  -1, r1= 2.10, r2= 2.60, r3= 5.61, r4= 6.11,
 igr2= 298, 299,
 &end
#
# 10	THY	H4'	10	THY	H6	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 307, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 10	THY	H6	10	THY	M	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 307,  -1, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr2= 310, 311, 312,
 &end
#
# 10	THY	Q5'	10	THY	H6	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 307, r1= 2.10, r2= 2.60, r3= 5.61, r4= 6.11,
 igr1= 298, 299,
 &end
#
# 10	THY	H2'	11	ADE	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 322, 339, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 10	THY	H2''	11	ADE	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 323, 339, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 10	THY	H4'	11	ADE	H2	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 348, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 10	THY	H4'	11	ADE	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 301, 339, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 10	THY	M	11	ADE	H2	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 348, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr1= 310, 311, 312,
 &end
#
# 10	THY	Q5'	11	ADE	H1'	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 336, r1= 3.00, r2= 3.50, r3= 7.30, r4= 7.80,
 igr1= 298, 299,
 &end
#
# 10	THY	Q5'	11	ADE	H2	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 348, r1= 3.00, r2= 3.50, r3= 7.30, r4= 7.80,
 igr1= 298, 299,
 &end
#
# 10	THY	Q5'	11	ADE	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 339, r1= 3.00, r2= 3.50, r3= 7.30, r4= 7.80,
 igr1= 298, 299,
 &end
#
# 11	ADE	H8	10	THY	H4'	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 339, 301, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 11	ADE	H1'	11	ADE	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 339, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11	ADE	H2'	11	ADE	H1'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 336, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11	ADE	H2'	11	ADE	H3'	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 352, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 11	ADE	H2'	11	ADE	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 354, 339, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11	ADE	H2''	11	ADE	H1'	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 336, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 11	ADE	H2''	11	ADE	H3'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 352, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11	ADE	H2''	11	ADE	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 339, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11	ADE	H3'	11	ADE	H1'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 336, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 11	ADE	H3'	11	ADE	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 339, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 11	ADE	H1'	12	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 336, 371, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 11	ADE	H3'	12	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 371, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 12	GUA	H3'	11	ADE	H1'	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 336, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 12	GUA	H3'	11	ADE	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 339, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 12	GUA	H1'	12	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 368, 371, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 12	GUA	H2'	12	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 387, 371, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 12	GUA	H2''	12	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 388, 371, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 12	GUA	H3'	12	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 385, 371, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 12	GUA	H1	16	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 502, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 13	GUA	H8	11	ADE	H2	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 348, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 13	GUA	H8	12	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 404, 371, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 13	GUA	H1'	13	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 401, 404, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13	GUA	H2'	13	GUA	H1'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 401, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13	GUA	H2'	13	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 420, 404, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13	GUA	H2''	13	GUA	H1'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 401, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13	GUA	H2''	13	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 421, 404, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13	GUA	H3'	13	GUA	H1'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 401, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13	GUA	H3'	13	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 418, 404, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 13	GUA	H1	16	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 502, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 13	GUA	H1	17	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 410, 535, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 14	GUA	H1	13	GUA	H1	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 410, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 14	GUA	H2'	14	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 453, 437, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 14	GUA	H2''	14	GUA	H8	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 437, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 14	GUA	H3'	14	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 451, 437, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 14	GUA	H1	17	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 535, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 14	GUA	H1	18	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 443, 568, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 16	GUA	H1'	16	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 499, 502, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 16	GUA	H2'	16	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 518, 502, 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= 519, 502, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 16	GUA	H3'	16	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 516, 502, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 16	GUA	H8	16	GUA	H1'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 499, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17	GUA	H8	16	GUA	H1'	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 535, 499, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 17	GUA	H1'	17	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 535, 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= 551, 535, r1= 1.30, r2= 1.80, r3= 3.60, r4= 4.10,  &end
#
# 17	GUA	H2''	17	GUA	H8	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat= 552, 535, 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= 549, 532, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17	GUA	H3'	17	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 549, 535, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 17	GUA	H1'	18	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 532, 568, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18	GUA	H1	5	GUA	H8	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 143, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 18	GUA	H1	17	GUA	H1	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 574, 541, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18	GUA	H1'	18	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 568, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18	GUA	H3'	18	GUA	H8	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 568, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 18	GUA	Q2'	18	GUA	H8	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 568, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 584, 585,
 &end
#
# 18	GUA	H3'	19	THY	M	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 582,  -1, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr2= 604, 605, 606,
 &end
#
# 18	GUA	Q2'	19	THY	M	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.00, r2= 3.50, r3= 8.76, r4= 9.26,
 igr1= 584, 585,
 igr2= 604, 605, 606,
 &end
#
# 19	THY	M	18	GUA	H1'	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 565, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr1= 604, 605, 606,
 &end
#
# 19	THY	H1'	19	THY	H6	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 598, 601, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 19	THY	H4'	19	THY	H6	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 601, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 19	THY	H6	19	THY	M	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat= 601,  -1, r1= 2.10, r2= 2.60, r3= 6.00, r4= 6.50,
 igr2= 604, 605, 606,
 &end
#
# 19	THY	Q2'	19	THY	H1'	1.8	3.6
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 598, r1= 1.30, r2= 1.80, r3= 4.04, r4= 4.54,
 igr1= 616, 617,
 &end
#
# 19	THY	Q2'	19	THY	H6	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 601, r1= 2.10, r2= 2.60, r3= 5.61, r4= 6.11,
 igr1= 616, 617,
 &end
#
# 19	THY	Q2'	19	THY	M	3.5	6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.00, r2= 3.50, r3= 8.76, r4= 9.26,
 igr1= 616, 617,
 igr2= 604, 605, 606,
 &end
#
# 19	THY	Q5'	19	THY	H1'	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 598, r1= 2.10, r2= 2.60, r3= 5.61, r4= 6.11,
 igr1= 592, 593,
 &end
#
# 19	THY	Q5'	19	THY	H6	2.6	5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 601, r1= 2.10, r2= 2.60, r3= 5.61, r4= 6.11,
 igr1= 592, 593,
 &end
#
# 1       THY     H6      20      DA0     HB      2.6     5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 2.10, r2= 2.60, r3= 5.61, r4= 6.11,

      rk2=20.0, rk3=20.0, nstep1 = 3000, nstep2 = 200000, ir6 = 0, ialtd=0,
 igr2= 635, 636,
 &end
#
# 1       THY     H6      20      DA0     HC      2.6     5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 2.10, r2= 2.60, r3= 6.30, r4= 6.80,
 igr2= 621, 622, 631, 632,
 &end
#
# 1       THY     H6      20      DA0     HA      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 3.00, r2= 3.50, r3= 7.30, r4= 7.80,
 igr2= 638, 639,
 &end
#
# 1       THY     H1'     20      DA0     HA'     3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  -1, r1= 3.00, r2= 3.50, r3= 7.30, r4= 7.80,
 igr2= 672, 673,
 &end
#
# 1       THY     M       20      DA0     H3      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 644, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr1=  16,  17,  18,
 &end
#
# 1       THY     M       20      DA0     H4      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 664, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr1=  16,  17,  18,
 &end
#
# 1       THY     M       20      DA0     HB      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.00, r2= 3.50, r3= 8.76, r4= 9.26,
 igr1=  16,  17,  18,
 igr2= 635, 636,
 &end
#
# 1       THY     M       20      DA0     HC      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.00, r2= 3.50, r3= 9.84, r4=10.34,
 igr1=  16,  17,  18,
 igr2= 621, 622, 631, 632,
 &end
#
# 1       THY     M       20      DA0     HD      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.00, r2= 3.50, r3= 9.84, r4=10.34,
 igr1=  16,  17,  18,
 igr2= 624, 625, 629, 628,
 &end
#
# 2       ADE     H8      20      DA0     H1'     2.6     5.0
 &rst
  ixpk= 0, nxpk= 0, iat=  45, 653, r1= 2.10, r2= 2.60, r3= 5.00, r4= 5.50,  &end
#
# 7       GUA     H8      20      DA0     H1      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 208, 648, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 7       GUA     H1'     20      DA0     HD      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 205,  -1, r1= 3.00, r2= 3.50, r3= 8.19, r4= 8.69,
 igr2= 624, 625, 629, 628,
 &end
#
# 12      GUA     H8      20      DA0     H3      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 644, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 12      GUA     H8      20      DA0     H4      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 371, 664, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 12      GUA     H8      20      DA0     HA      2.6     5.0
 &rst
  ixpk= 0, nxpk= 0, iat= 371,  -1, r1= 2.10, r2= 2.60, r3= 5.61, r4= 6.11,
 igr2= 638, 639,
 &end
#
# 16      GUA     H8      20      DA0     H1'     3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 653, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 16      GUA     H8      20      DA0     H2'     3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 655, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 16      GUA     H8      20      DA0     H3'     3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 657, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 16      GUA     H8      20      DA0     H4'     3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 502, 668, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 11      ADE     H2      21      DA0     H4      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 348, 735, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 11      ADE     H2      21      DA0     HB      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 348,  -1, r1= 3.00, r2= 3.50, r3= 7.30, r4= 7.80,
 igr2= 706, 707,
 &end
#
# 11      ADE     H2      21      DA0     HC      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 348,  -1, r1= 3.00, r2= 3.50, r3= 8.19, r4= 8.69,
 igr2= 692, 693, 702, 703,
 &end
#
# 11      ADE     H1'     21      DA0     HB      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 3.00, r2= 3.50, r3= 7.30, r4= 7.80,
 igr2= 706, 707,
 &end
#
# 11      ADE     H1'     21      DA0     HC      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 336,  -1, r1= 3.00, r2= 3.50, r3= 8.19, r4= 8.69,
 igr2= 692, 693, 702, 703,
 &end
#
# 10      THY     M       21      DA0     HB      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.00, r2= 3.50, r3= 8.76, r4= 9.26,
 igr1= 310, 311, 312,
 igr2= 706, 707,
 &end
#
# 10      THY     M       21      DA0     HC      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.00, r2= 3.50, r3= 9.84, r4=10.34,
 igr1= 310, 311, 312,
 igr2= 692, 693, 702, 703,
 &end
#
# 5       GUA     H1'     21      DA0     HD'     3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 140,  -1, r1= 3.00, r2= 3.50, r3= 8.19, r4= 8.69,
 igr2= 757, 758, 753, 754,
 &end
#
# 5       GUA     H8      21      DA0     H1'     3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 724, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 5       GUA     H8      21      DA0     H3'     3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 143, 728, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 14      GUA     H8      21      DA0     H3      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 715, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 14      GUA     H8      21      DA0     H4      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 437, 735, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 18      GUA     H8      21      DA0     H1      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat= 568, 719, r1= 3.00, r2= 3.50, r3= 6.50, r4= 7.00,  &end
#
# 19      THY     M       21      DA0     HD      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.00, r2= 3.50, r3= 9.84, r4=10.34,
 igr1= 604, 605, 606,
 igr2= 695, 696, 700, 699,
 &end
#
# 19      THY     M       21      DA0     HB      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.00, r2= 3.50, r3= 8.76, r4= 9.26,
 igr1= 604, 605, 606,
 igr2= 706, 707,
 &end
#
# 19      THY     M       21      DA0     HC      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 3.00, r2= 3.50, r3= 9.84, r4=10.34,
 igr1= 604, 605, 606,
 igr2= 692, 693, 702, 703,
 &end
#
# 19      THY     M       21      DA0     H3      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 715, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr1= 604, 605, 606,
 &end
#
# 19      THY     M       21      DA0     H4      3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 735, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr1= 604, 605, 606,
 &end
#
# 19	THY	Q5'	21	DA0	H2'	3.5     6.5
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 726, r1= 3.00, r2= 3.50, r3= 7.30, r4= 7.80,
 igr1= 592, 593,
 &end
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image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	608178	5lig	34025	cing	1-original	4	AMBER	distance	NOE	simple