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

609537 5gwq 36022 cing 1-original 1 AMBER distance NOE simple
# Restraints file 1: ttta2_rst_distance
# noe
# 1	THY	H6	2	THY	H6	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  45, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
# 1	THY	H1'	2	THY	H6	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  45, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 1	THY	H1'	2	THY	H2'1	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  60, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 1	THY	H1'	2	THY	H2'2	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  61, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 1	THY	H1'	2	THY	H5'1	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  36, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 1	THY	H1'	2	THY	H5'2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  37, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 1	THY	H2'1	2	THY	H6	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  45, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 1	THY	H2'2	2	THY	H6	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  45, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 1	THY	H2'2	2	THY	H4'	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  39, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 1	THY	H2'2	2	THY	H5'1	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  36, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 1	THY	H2'2	2	THY	H5'2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  37, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 1	THY	H4'	2	THY	H6	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  45, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 1	THY	H6	3	THY	H7	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2=  80,  81,  82,
 &end
#
# 1	THY	H1'	3	THY	H6	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  77, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 1	THY	H1'	3	THY	H7	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  -1, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50,
 igr2=  80,  81,  82,
 &end
#
# 1	THY	H2'1	3	THY	H6	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  77, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 1	THY	H2'1	3	THY	H7	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2=  80,  81,  82,
 &end
#
# 1	THY	H2'2	3	THY	H7	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2=  80,  81,  82,
 &end
#
# 1	THY	H4'	3	THY	H7	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr2=  80,  81,  82,
 &end
#
# 1	THY	H6	8	ADE	H2	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  13, 246, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 1	THY	H6	8	ADE	H1'	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  13, 234, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 1	THY	H6	8	ADE	H2'1	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  13, 252, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 1	THY	H6	8	ADE	H2'2	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  13, 253, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 1	THY	H7	8	ADE	H2	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  16,  17,  18,
 &end
#
# 1	THY	H7	8	ADE	H8	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 237, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr1=  16,  17,  18,
 &end
#
# 1	THY	H7	8	ADE	H1'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr1=  16,  17,  18,
 &end
#
# 1	THY	H7	8	ADE	H2'1	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50,
 igr1=  16,  17,  18,
 &end
#
# 1	THY	H7	8	ADE	H2'2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr1=  16,  17,  18,
 &end
#
# 1	THY	H1'	8	ADE	H2'1	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  10, 252, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 1	THY	H1'	8	ADE	H2'2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  10, 253, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 1	THY	H4'	8	ADE	H1'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=   7, 234, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 1	THY	H4'	8	ADE	H2'1	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=   7, 252, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 1	THY	H4'	8	ADE	H2'2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=   7, 253, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 2	THY	H6	3	THY	H6	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  77, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 2	THY	H6	3	THY	H7	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr2=  80,  81,  82,
 &end
#
# 2	THY	H1'	3	THY	H6	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  77, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 2	THY	H1'	3	THY	H7	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr2=  80,  81,  82,
 &end
#
# 2	THY	H2'1	3	THY	H6	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  77, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 2	THY	H2'2	3	THY	H6	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  77, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 2	THY	H3'	3	THY	H6	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  77, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 2	THY	H4'	3	THY	H6	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  77, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 2	THY	H4'	3	THY	H7	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr2=  80,  81,  82,
 &end
#
# 2	THY	H5'2	3	THY	H7	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  37,  -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr2=  80,  81,  82,
 &end
#
# 2	THY	H1'	4	ADE	H2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 118, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 2	THY	H2'2	4	ADE	H2	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  61, 118, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 2	THY	H3'	4	ADE	H2	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  58, 118, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 2	THY	H7	6	THY	H1'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 170, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr1=  48,  49,  50,
 &end
#
# 2	THY	H1'	6	THY	H7	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 176, 177, 178,
 &end
#
# 2	THY	H4'	6	THY	H7	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  -1, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50,
 igr2= 176, 177, 178,
 &end
#
# 2	THY	H7	8	ADE	H1'	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 234, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr1=  48,  49,  50,
 &end
#
# 2	THY	H7	8	ADE	H2'1	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 252, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr1=  48,  49,  50,
 &end
#
# 2	THY	H7	8	ADE	H2'2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 253, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr1=  48,  49,  50,
 &end
#
# 2	THY	H7	8	ADE	H4'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 231, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr1=  48,  49,  50,
 &end
#
# 3	THY	H6	4	ADE	H2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 118, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 3	THY	H7	4	ADE	H2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 118, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr1=  80,  81,  82,
 &end
#
# 3	THY	H2'1	4	ADE	H2	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 118, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 3	THY	H2'2	4	ADE	H2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  93, 118, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 3	THY	H3'	4	ADE	H2	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 118, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 4	ADE	H2	5	THY	H7	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 118,  -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr2= 144, 145, 146,
 &end
#
# 4	ADE	H8	5	THY	H7	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr2= 144, 145, 146,
 &end
#
# 4	ADE	H1'	5	THY	H6	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 141, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 4	ADE	H1'	5	THY	H7	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr2= 144, 145, 146,
 &end
#
# 4	ADE	H1'	6	THY	H7	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 106,  -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr2= 176, 177, 178,
 &end
#
# 5	THY	H6	6	THY	H6	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 173, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 5	THY	H1'	6	THY	H6	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 173, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 5	THY	H1'	6	THY	H7	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 176, 177, 178,
 &end
#
# 5	THY	H1'	6	THY	H2'1	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 188, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 5	THY	H1'	6	THY	H2'2	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 189, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 5	THY	H2'1	6	THY	H6	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 173, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 5	THY	H2'2	6	THY	H6	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 173, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 5	THY	H3'	6	THY	H7	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 154,  -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr2= 176, 177, 178,
 &end
#
# 5	THY	H4'	6	THY	H6	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 173, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 5	THY	H4'	6	THY	H7	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 135,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 176, 177, 178,
 &end
#
# 5	THY	H6	7	THY	H7	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 141,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 208, 209, 210,
 &end
#
# 5	THY	H1'	7	THY	H6	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 205, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 5	THY	H1'	7	THY	H7	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 138,  -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr2= 208, 209, 210,
 &end
#
# 5	THY	H2'1	7	THY	H7	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 156,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 208, 209, 210,
 &end
#
# 5	THY	H2'2	7	THY	H6	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 205, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 5	THY	H2'2	7	THY	H7	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 157,  -1, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr2= 208, 209, 210,
 &end
#
# 6	THY	H6	7	THY	H6	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 205, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 6	THY	H6	7	THY	H7	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 173,  -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr2= 208, 209, 210,
 &end
#
# 6	THY	H1'	7	THY	H6	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 205, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 6	THY	H2'1	7	THY	H6	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 205, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 6	THY	H2'2	7	THY	H6	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 205, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 6	THY	H2'2	7	THY	H7	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 189,  -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr2= 208, 209, 210,
 &end
#
# 6	THY	H3'	7	THY	H6	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 205, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 6	THY	H3'	7	THY	H7	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 186,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 208, 209, 210,
 &end
#
# 6	THY	H4'	7	THY	H6	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 205, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 6	THY	H4'	7	THY	H7	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 167,  -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr2= 208, 209, 210,
 &end
#
# 6	THY	H5'1	7	THY	H6	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 164, 205, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 6	THY	H5'1	7	THY	H7	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 164,  -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr2= 208, 209, 210,
 &end
#
# 6	THY	H5'2	7	THY	H6	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 165, 205, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 6	THY	H5'2	7	THY	H7	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 165,  -1, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr2= 208, 209, 210,
 &end
#
# 6	THY	H7	8	ADE	H2	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 246, r1= 3.50, r2= 4.00, r3= 7.21, r4= 7.71,
 igr1= 176, 177, 178,
 &end
#
# 6	THY	H1'	8	ADE	H2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 246, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 6	THY	H2'1	8	ADE	H2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 246, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 6	THY	H2'2	8	ADE	H2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 246, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 6	THY	H3'	8	ADE	H2	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 246, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 7	THY	H6	8	ADE	H2	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 246, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 7	THY	H1'	8	ADE	H2	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 246, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 7	THY	H2'1	8	ADE	H2	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 246, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 7	THY	H2'2	8	ADE	H2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 246, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 7	THY	H3'	8	ADE	H2	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 246, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 1	THY	H6	1	THY	H1'	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  10, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 1	THY	H6	1	THY	H2'1	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  28, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 1	THY	H6	1	THY	H2'2	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  29, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 1	THY	H6	1	THY	H3'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  26, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 1	THY	H6	1	THY	H4'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  13,   7, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 1	THY	H7	1	THY	H1'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  10, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr1=  16,  17,  18,
 &end
#
# 1	THY	H7	1	THY	H4'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,   7, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr1=  16,  17,  18,
 &end
#
# 1	THY	H1'	1	THY	H2'1	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  28, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 1	THY	H1'	1	THY	H2'2	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  29, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 1	THY	H1'	1	THY	H3'	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  26, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 1	THY	H1'	1	THY	H4'	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  10,   7, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 1	THY	H2'1	1	THY	H3'	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  26, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 1	THY	H2'1	1	THY	H4'	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  28,   7, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 1	THY	H2'2	1	THY	H3'	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  26, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 1	THY	H2'2	1	THY	H4'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  29,   7, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 1	THY	H3'	1	THY	H4'	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  26,   7, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 2	THY	H6	2	THY	H1'	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  42, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 2	THY	H6	2	THY	H2'1	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  60, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 2	THY	H6	2	THY	H2'2	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  61, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 2	THY	H6	2	THY	H3'	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  58, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 2	THY	H6	2	THY	H4'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  39, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 2	THY	H6	2	THY	H5'1	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  36, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 2	THY	H6	2	THY	H5'2	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  37, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 2	THY	H1'	2	THY	H2'1	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  60, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 2	THY	H1'	2	THY	H2'2	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  61, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 2	THY	H1'	2	THY	H3'	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  58, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 2	THY	H1'	2	THY	H4'	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  39, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 2	THY	H1'	2	THY	H5'1	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  36, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 2	THY	H1'	2	THY	H5'2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  37, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 2	THY	H2'1	2	THY	H3'	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 2	THY	H2'1	2	THY	H4'	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  39, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 2	THY	H2'1	2	THY	H5'1	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  36, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 2	THY	H2'1	2	THY	H5'2	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  37, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 2	THY	H2'2	2	THY	H3'	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  58, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 2	THY	H2'2	2	THY	H4'	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  39, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 2	THY	H2'2	2	THY	H5'1	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  36, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 2	THY	H2'2	2	THY	H5'2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  37, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 2	THY	H3'	2	THY	H4'	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  39, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 2	THY	H3'	2	THY	H5'1	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  36, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 2	THY	H3'	2	THY	H5'2	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  37, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 2	THY	H4'	2	THY	H5'1	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  36, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 2	THY	H4'	2	THY	H5'2	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  37, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 3	THY	H6	3	THY	H2'1	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  92, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 3	THY	H6	3	THY	H2'2	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  93, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 3	THY	H6	3	THY	H3'	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  90, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 3	THY	H7	3	THY	H2'1	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  92, r1= 2.00, r2= 2.50, r3= 5.40, r4= 5.90,
 igr1=  80,  81,  82,
 &end
#
# 3	THY	H7	3	THY	H2'2	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  93, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1=  80,  81,  82,
 &end
#
# 3	THY	H7	3	THY	H3'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  90, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr1=  80,  81,  82,
 &end
#
# 3	THY	H1'	3	THY	H2'1	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  92, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 3	THY	H1'	3	THY	H2'2	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  93, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 3	THY	H2'1	3	THY	H3'	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 3	THY	H2'2	3	THY	H3'	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  90, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 4	ADE	H2	4	ADE	H1'	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 118, 106, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 4	ADE	H8	4	ADE	H1'	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 106, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4	ADE	H1'	4	ADE	H4'	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 103, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 4	ADE	H3'	4	ADE	H4'	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 122, 103, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 5	THY	H6	5	THY	H1'	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 138, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 5	THY	H6	5	THY	H2'1	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 156, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 5	THY	H6	5	THY	H2'2	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 5	THY	H6	5	THY	H3'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 154, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 5	THY	H6	5	THY	H4'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 135, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 5	THY	H6	5	THY	H5'1	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 132, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 5	THY	H6	5	THY	H5'2	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 133, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 5	THY	H1'	5	THY	H2'1	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 156, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 5	THY	H1'	5	THY	H2'2	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 157, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 5	THY	H1'	5	THY	H3'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 154, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 5	THY	H1'	5	THY	H4'	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 135, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 5	THY	H1'	5	THY	H5'1	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 132, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 5	THY	H1'	5	THY	H5'2	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 138, 133, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 5	THY	H2'1	5	THY	H3'	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 154, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 5	THY	H2'1	5	THY	H4'	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 135, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 5	THY	H2'1	5	THY	H5'1	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 132, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 5	THY	H2'1	5	THY	H5'2	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 133, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 5	THY	H2'2	5	THY	H3'	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 154, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 5	THY	H2'2	5	THY	H4'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 135, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 5	THY	H2'2	5	THY	H5'1	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 132, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 5	THY	H2'2	5	THY	H5'2	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 133, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 5	THY	H4'	5	THY	H5'1	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 132, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 5	THY	H4'	5	THY	H5'2	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 135, 133, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 6	THY	H6	6	THY	H1'	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 170, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 6	THY	H6	6	THY	H2'1	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 188, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 6	THY	H6	6	THY	H2'2	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 189, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 6	THY	H6	6	THY	H3'	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 186, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 6	THY	H6	6	THY	H4'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 167, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 6	THY	H6	6	THY	H5'1	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 164, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 6	THY	H6	6	THY	H5'2	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 165, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 6	THY	H7	6	THY	H1'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 170, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr1= 176, 177, 178,
 &end
#
# 6	THY	H7	6	THY	H2'1	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 188, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr1= 176, 177, 178,
 &end
#
# 6	THY	H7	6	THY	H5'1	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 164, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr1= 176, 177, 178,
 &end
#
# 6	THY	H1'	6	THY	H2'1	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 188, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 6	THY	H1'	6	THY	H2'2	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 189, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 6	THY	H1'	6	THY	H3'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 186, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 6	THY	H1'	6	THY	H4'	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 167, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 6	THY	H1'	6	THY	H5'1	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 164, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 6	THY	H1'	6	THY	H5'2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 170, 165, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 6	THY	H2'1	6	THY	H3'	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 186, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 6	THY	H2'1	6	THY	H4'	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 167, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 6	THY	H2'1	6	THY	H5'1	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 164, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 6	THY	H2'1	6	THY	H5'2	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 188, 165, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 6	THY	H2'2	6	THY	H3'	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 186, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 6	THY	H2'2	6	THY	H4'	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 167, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 6	THY	H2'2	6	THY	H5'1	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 164, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 6	THY	H2'2	6	THY	H5'2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 165, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 6	THY	H3'	6	THY	H4'	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 167, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 6	THY	H3'	6	THY	H5'1	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 164, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 6	THY	H3'	6	THY	H5'2	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 165, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 6	THY	H4'	6	THY	H5'1	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 164, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 6	THY	H4'	6	THY	H5'2	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 167, 165, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 7	THY	H6	7	THY	H1'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 202, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 7	THY	H6	7	THY	H2'1	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 220, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 7	THY	H6	7	THY	H2'2	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 221, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 7	THY	H6	7	THY	H3'	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 205, 218, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 7	THY	H7	7	THY	H2'1	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 220, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 208, 209, 210,
 &end
#
# 7	THY	H7	7	THY	H2'2	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 221, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr1= 208, 209, 210,
 &end
#
# 7	THY	H7	7	THY	H3'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 218, r1= 3.00, r2= 3.50, r3= 6.61, r4= 7.11,
 igr1= 208, 209, 210,
 &end
#
# 7	THY	H1'	7	THY	H2'1	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 220, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 7	THY	H1'	7	THY	H2'2	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 221, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 7	THY	H1'	7	THY	H3'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 202, 218, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 7	THY	H2'1	7	THY	H3'	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 220, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 7	THY	H2'2	7	THY	H3'	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 218, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 8	ADE	H2	8	ADE	H1'	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 234, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 8	ADE	H2	8	ADE	H2'1	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 252, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 8	ADE	H2	8	ADE	H2'2	4.0	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 246, 253, r1= 3.50, r2= 4.00, r3= 6.00, r4= 6.50,  &end
#
# 8	ADE	H8	8	ADE	H1'	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 234, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 8	ADE	H8	8	ADE	H2'1	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 252, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 8	ADE	H8	8	ADE	H2'2	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 237, 253, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 8	ADE	H1'	8	ADE	H2'1	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 252, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 8	ADE	H1'	8	ADE	H2'2	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 253, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 8	ADE	H1'	8	ADE	H4'	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 234, 231, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 8	ADE	H2'1	8	ADE	H3'	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 250, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 8	ADE	H2'1	8	ADE	H4'	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 231, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 8	ADE	H2'1	8	ADE	H5'1	3.0	5.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 228, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
# 8	ADE	H2'1	8	ADE	H5'2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 252, 229, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 8	ADE	H2'2	8	ADE	H3'	1.8	6.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 250, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
# 8	ADE	H2'2	8	ADE	H4'	2.5	4.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 231, r1= 2.00, r2= 2.50, r3= 4.50, r4= 5.00,  &end
#
# 8	ADE	H2'2	8	ADE	H5'1	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 228, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 8	ADE	H2'2	8	ADE	H5'2	3.5	5.5																									
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 229, r1= 3.00, r2= 3.50, r3= 5.50, r4= 6.00,  &end
#
# 8	ADE	H4'	8	ADE	H5'1	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 228, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
# 8	ADE	H4'	8	ADE	H5'2	1.8	4.0																									
 &rst
  ixpk= 0, nxpk= 0, iat= 231, 229, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
# Restraints file 2: ttta2_rst_hbond
# hbond
# 1	THY	O4	4	ADE	N6	2.85	3.05
 &rst
  ixpk= 0, nxpk= 0, iat=  20, 113, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
# 1	THY	N3	4	ADE	N1	2.72	2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  21, 116, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
# 5	THY	O4	8	ADE	N6	2.85	3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 241, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
# 5	THY	N3	8	ADE	N1	2.72	2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 244, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
Please acknowledge these references in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Thursday, May 2, 2024 3:20:53 AM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type	subtype	subsubtype
	609537	5gwq	36022	cing	1-original	1	AMBER	distance	NOE	simple