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
627044 6f4z 34210 cing 1-original 5 AMBER distance NOE simple


# Restraints file 5: RST_NOE
#
#    1  GUA H1'      1  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  13, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50, 
      rk2=50.0, rk3=50.0, ir6=1, ialtd=0,
 &end
#
#    1  GUA H2'      1  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  13, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    1  GUA H2''     1  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  13, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    1  GUA H3'      1  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  13, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    2  GUA H1'      2  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  46, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    2  GUA H2'      2  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  46, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    2  GUA H2''     2  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  46, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    2  GUA H3'      2  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  46, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    3  GUA H1'      3  GUA H4'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  73, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3  GUA H1'      3  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  79, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    3  GUA H2'      3  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  79, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3  GUA H2''     3  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  79, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    3  GUA H3'      3  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  79, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    4  ADE H1'      4  ADE H2            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 121, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    4  ADE H1'      4  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 112, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    4  ADE H1'      4  ADE H4'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 106, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4  ADE H2'      4  ADE H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 127, 112, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4  ADE H2''     4  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 128, 112, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    4  ADE H3'      4  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 112, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    4  ADE H4'      4  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 112, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    4  ADE H5'      4  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 103, 112, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    4  ADE H5''     4  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 104, 112, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    5  THY H1'      5  THY H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 141, 144, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    5  THY H2'      5  THY H7            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 159,  -1, r1= 3.50, r2= 4.00, r3= 8.41, r4= 8.91,
 igr2= 147, 148, 149,
 &end
#
#    5  THY H2'      5  THY H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 144, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    5  THY H2''     5  THY H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 144, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    5  THY H3'      5  THY H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 144, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    6  GUA H1'      6  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 173, 176, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6  GUA H2'      6  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 192, 176, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    6  GUA H2''     6  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 193, 176, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    6  GUA H3'      6  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 176, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    7  GUA H1'      7  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 209, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    7  GUA H2'      7  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 209, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    7  GUA H2''     7  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 209, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    8  GUA H1'      8  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 242, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    8  GUA H2'      8  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 242, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8  GUA H2''     8  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 242, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    8  GUA H3'      8  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 256, 242, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    9  ADE H1'      9  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 275, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    9  ADE H2'      9  ADE H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 275, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9  ADE H2''     9  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 275, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    9  ADE H3'      9  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 275, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   10  CYT H2'     10  CYT H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 307, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   10  CYT H2''    10  CYT H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 307, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   10  CYT H3'     10  CYT H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 307, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   11  ADE H1'     11  ADE H2            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 346, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   11  ADE H1'     11  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 337, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   11  ADE H2'     11  ADE H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 337, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11  ADE H2''    11  ADE H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 353, 337, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   11  ADE H3'     11  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 350, 337, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   12  CYT H1'     12  CYT H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 369, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   12  CYT H2'     12  CYT H6            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 369, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   12  CYT H2''    12  CYT H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 369, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   12  CYT H3'     12  CYT H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 369, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   13  ADE H1'     13  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 399, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   13  ADE H2'     13  ADE H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 414, 399, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   13  ADE H2''    13  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 415, 399, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   13  ADE H3'     13  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 412, 399, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   13  ADE H5''    13  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 391, 399, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   14  GUA H1'     14  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 431, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14  GUA H2'     14  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 431, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   14  GUA H2''    14  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 431, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   14  GUA H3'     14  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 431, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   15  FAG H1'     15  FAG H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 476, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   15  FAG H2'1    15  FAG H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 476, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   15  FAG H3'     15  FAG H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 476, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   16  GUA H1'     16  GUA H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 511, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   16  GUA H1'     16  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 497, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   16  GUA H2'     16  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 497, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16  GUA H2''    16  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 514, 497, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   16  GUA H3'     16  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 497, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   17  GUA H1'     17  GUA H2''          1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 547, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17  GUA H1'     17  GUA H3'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 544, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   17  GUA H1'     17  GUA H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 527, 530, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   17  GUA H2'     17  GUA H3'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 544, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17  GUA H2''    17  GUA H3'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 544, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17  GUA H2'     17  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 530, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17  GUA H2''    17  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 530, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   17  GUA H3'     17  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 530, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   18  ADE H1'     18  ADE H4'           1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 557, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18  ADE H1'     18  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 560, 563, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   18  ADE H2'     18  ADE H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 578, 563, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18  ADE H2''    18  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 579, 563, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   18  ADE H3'     18  ADE H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 563, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   18  ADE H4'     18  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 563, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   18  ADE H5'     18  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 563, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   18  ADE H5''    18  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 563, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   19  CYT H2'     19  CYT H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 608, 595, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   19  CYT H2''    19  CYT H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 609, 595, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   19  CYT H3'     19  CYT H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 606, 595, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   20  GUA H1'     20  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 622, 625, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20  GUA H2'     20  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 641, 625, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   20  GUA H2''    20  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 642, 625, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   20  GUA H3'     20  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 639, 625, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   21  GUA H1'     21  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 658, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21  GUA H2'     21  GUA H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 658, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   21  GUA H2''    21  GUA H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 658, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   21  GUA H3'     21  GUA H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 658, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   22  GUA H1'     22  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 688, 691, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   22  GUA H2'     22  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 707, 691, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22  GUA H2''    22  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 708, 691, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   22  GUA H3'     22  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 705, 691, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    1  GUA H1'      2  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  46, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    1  GUA H2'      2  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  46, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    1  GUA H2''     2  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  30,  46, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    1  GUA H3'      2  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  46, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    1  GUA H8       2  GUA H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  43, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    2  GUA H1'      3  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  79, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    2  GUA H2'      3  GUA H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  79, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#    2  GUA H2''     3  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  63,  79, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    2  GUA H3'      3  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  79, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    4  ADE H1'      5  THY H7            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 109,  -1, r1= 4.00, r2= 4.50, r3= 9.01, r4= 9.51,
 igr2= 147, 148, 149,
 &end
#
#    4  ADE H2'      5  THY H7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 127,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 147, 148, 149,
 &end
#
#    4  ADE H2''     5  THY H7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 128,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 147, 148, 149,
 &end
#
#    4  ADE H3'      5  THY H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 144, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    4  ADE H3'      5  THY H7            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 125,  -1, r1= 3.50, r2= 4.00, r3= 8.41, r4= 8.91,
 igr2= 147, 148, 149,
 &end
#
#    4  ADE H8       5  THY H7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 112,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 147, 148, 149,
 &end
#
#    6  GUA H8       7  GUA H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 176, 206, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    7  GUA H1'      8  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 242, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    7  GUA H2'      8  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 225, 242, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    7  GUA H2''     8  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 226, 242, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    7  GUA H3'      8  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 223, 242, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    8  GUA H1'      9  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 239, 275, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    8  GUA H2'      9  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 258, 275, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    8  GUA H2''     9  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 259, 275, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#    8  GUA H8       9  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 242, 275, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    9  ADE H2'     10  CYT H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 290, 307, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    9  ADE H2''    10  CYT H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 291, 307, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    9  ADE H3'     10  CYT H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 288, 307, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   10  CYT H1'     11  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 304, 337, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   10  CYT H2'     11  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 320, 337, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   10  CYT H2''    11  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 321, 337, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   10  CYT H3'     11  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 318, 337, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   10  CYT H6      11  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 307, 337, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   11  ADE H1'     12  CYT H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 334, 369, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   11  ADE H2      12  CYT H5            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 371, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   11  ADE H2'     12  CYT H6            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 352, 369, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   11  ADE H8      12  CYT H6            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 337, 369, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   12  CYT H1'     13  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 366, 399, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   12  CYT H2'     13  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 382, 399, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   12  CYT H2''    13  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 383, 399, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   12  CYT H3'     13  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 399, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   14  GUA H1'     15  FAG H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 428, 476, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   14  GUA H2'     15  FAG H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 447, 476, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   14  GUA H2''    15  FAG H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 448, 476, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14  GUA H3'     15  FAG H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 445, 476, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   14  GUA H8      15  FAG H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 431, 476, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   15  FAG H1'     16  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 464, 497, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   15  FAG H2'1    16  GUA H8            1.8    4.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 466, 497, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   16  GUA H1'     17  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 494, 530, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   16  GUA H2'     17  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 513, 530, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   16  GUA H2''    17  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 514, 530, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   16  GUA H3'     17  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 511, 530, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   16  GUA H8      17  GUA H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 497, 530, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   17  GUA H2'     18  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 546, 563, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   17  GUA H2''    18  ADE H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 547, 563, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   17  GUA H3'     18  ADE H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 544, 563, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   17  GUA H8      18  ADE H8            3.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 530, 563, r1= 2.50, r2= 3.00, r3= 7.00, r4= 7.50,  &end
#
#   18  ADE H3'     19  CYT H6            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 576, 595, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   18  ADE H4'     19  CYT H5            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 597, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   18  ADE H4'     19  CYT H6            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 595, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   18  ADE H5'     19  CYT H5            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 554, 597, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   18  ADE H5''    19  CYT H5            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 597, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#   19  CYT H5      20  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 597, 625, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   19  CYT H6      20  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 595, 625, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   20  GUA H8      21  GUA H1'           2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 625, 655, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   21  GUA H1'     22  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 655, 691, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   21  GUA H2'     22  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 674, 691, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   21  GUA H2''    22  GUA H8            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 675, 691, r1= 2.00, r2= 2.50, r3= 5.50, r4= 6.00,  &end
#
#   21  GUA H3'     22  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 672, 691, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    1  GUA H1       7  GUA H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 215, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#    1  GUA H1      11  ADE H2            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 346, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#    1  GUA H1      13  ADE H2            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  19, 408, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#    2  GUA H1       3  GUA H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  52,  85, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#    2  GUA H1      14  GUA H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 437, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#    3  GUA H1       5  THY H7            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  -1, r1= 3.30, r2= 3.80, r3= 7.45, r4= 7.95,
 igr2= 147, 148, 149,
 &end
#
#    5  THY H2'      6  GUA H1            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 159, 182, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#    5  THY H2''     6  GUA H1            4.8    7.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 160, 182, r1= 4.30, r2= 4.80, r3= 7.20, r4= 7.70,  &end
#
#    5  THY H3       6  GUA H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 182, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#    5  THY H3      18  ADE H2            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 572, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#    5  THY H6       6  GUA H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 182, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#    5  THY H7       6  GUA H1            3.5    6.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 182, r1= 3.00, r2= 3.50, r3= 7.81, r4= 8.31,
 igr1= 147, 148, 149,
 &end
#
#    6  GUA H1       7  GUA H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 182, 215, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#    8  GUA H1      11  ADE H2            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 346, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#    8  GUA H1      21  GUA H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 664, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#   13  ADE H8      14  GUA H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 399, 437, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#   13  ADE H2      14  GUA H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 437, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#   13  ADE H1'     14  GUA H1            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 437, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#   15  FAG H1      22  GUA H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 697, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#   16  GUA H1      19  CYT H5            3.8    6.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 597, r1= 3.30, r2= 3.80, r3= 6.20, r4= 6.70,  &end
#
#   20  GUA H1      21  GUA H1            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 631, 664, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end
#
#    1  GUA H8      13  ADE H2            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  13, 408, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    1  GUA H8      13  ADE H8            4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  13, 399, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#    3  GUA H1'      5  THY H7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  76,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 147, 148, 149,
 &end
#
#    3  GUA H2'      5  THY H7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  95,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 147, 148, 149,
 &end
#
#    3  GUA H2''     5  THY H7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  96,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 147, 148, 149,
 &end
#
#    3  GUA H3'      5  THY H7            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  93,  -1, r1= 3.50, r2= 4.00, r3= 8.41, r4= 8.91,
 igr2= 147, 148, 149,
 &end
#
#    3  GUA H8       5  THY H6            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  79, 144, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    3  GUA H8       5  THY H7            2.5    5.5 
 &rst
  ixpk= 0, nxpk= 0, iat=  79,  -1, r1= 2.00, r2= 2.50, r3= 6.61, r4= 7.11,
 igr2= 147, 148, 149,
 &end
#
#    5  THY H7      18  ADE H2            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 572, r1= 3.50, r2= 4.00, r3= 8.41, r4= 8.91,
 igr1= 147, 148, 149,
 &end
#
#    9  ADE H1'     11  ADE H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 337, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    9  ADE H2      11  ADE H1'           4.5    7.5 
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 334, r1= 4.00, r2= 4.50, r3= 7.50, r4= 8.00,  &end
#
#   11  ADE H2      22  GUA H8            4.0    7.0 
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 691, r1= 3.50, r2= 4.00, r3= 7.00, r4= 7.50,  &end
#
#    5  THY H3      18  ADE H2            2.8    5.2 
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 572, r1= 2.30, r2= 2.80, r3= 5.20, r4= 5.70,  &end




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