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
25459 2k90 16054 cing 1-original 1 AMBER distance NOE simple


#
#  Distance constraint file for the dimeric structure of d(TGCTTCGT)    (L3)
#
#
#   1 THY  H4'     1 THY  H1'       2.77 3.46  (##4.01   # peak    124)
 &rst
  ixpk= 0, nxpk= 0, iat=   7,  10, r1= 2.27, r2= 2.77, r3= 3.46, r4= 3.96, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   1 THY  H3'     1 THY  H6        2.61 4.48  (# peak     86)
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  13, r1= 2.11, r2= 2.61, r3= 4.48, r4= 4.98,  &end
#
#   1 THY  H3'     2 GUA  H8        3.08 3.70  (##5.50   # peak    109)
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  45, r1= 2.58, r2= 3.08, r3= 3.70, r4= 4.20,  &end
#
#   1 THY  H2'     1 THY  H6        2.00 2.83  (# peak     16)
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  13, r1= 1.50, r2= 2.00, r3= 2.83, r4= 3.33,  &end
#
#   1 THY  H2'     2 GUA  H8        2.32 3.56  (##5.50   # peak 14)
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  45, r1= 1.82, r2= 2.32, r3= 3.56, r4= 4.06,  &end
#
#   1 THY  H2"     1 THY  H6        2.14 3.34  (##3.95   # peak    239)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  13, r1= 1.64, r2= 2.14, r3= 3.34, r4= 3.84,  &end
#
#   1 THY  H2"     2 GUA  H8        2.40 3.23  (##4.97   # peak    210)
 &rst
  ixpk= 0, nxpk= 0, iat=  29,  45, r1= 1.90, r2= 2.40, r3= 3.23, r4= 3.73,  &end
#
#   1 THY  H1'     1 THY  H6        2.39 3.00  (##4.11   # peak 59)
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  13, r1= 1.89, r2= 2.39, r3= 3.00, r4= 3.50,  &end
#
#   1 THY  H1'     2 GUA  H8        2.19 5.50  (# peak    350)
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  45, r1= 1.69, r2= 2.19, r3= 5.50, r4= 6.00,  &end
#
#   1 THY  M7      1 THY  H6        1.80 2.83  (# peak     22)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  13, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1=  16,  17,  18,
 &end
#
#   2 GUA  H4'     2 GUA  H2"       2.09 3.76  (# peak    306)
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  62, r1= 1.59, r2= 2.09, r3= 3.76, r4= 4.26,  &end
#
#   2 GUA  H4'     2 GUA  H1'       2.17 3.90  (#~3.08   #4.01   # peak    116)
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  42, r1= 1.67, r2= 2.17, r3= 3.90, r4= 4.40,  &end
#
#   2 GUA  H4'     2 GUA  H8        2.51 4.00  (#~4.66   # peak    115)
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  45, r1= 2.01, r2= 2.51, r3= 4.00, r4= 4.50,  &end
#
#   2 GUA  H3'     2 GUA  H8        2.39 4.23  (# peak     75)
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  45, r1= 1.89, r2= 2.39, r3= 4.23, r4= 4.73,  &end
#
#   2 GUA  H2'     2 GUA  H8        2.00 2.40  (# peak 6)
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  45, r1= 1.50, r2= 2.00, r3= 2.40, r4= 2.90,  &end
#
#   2 GUA  H2'     3 CYT  H5        2.17 4.14  (# peak    253)
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  80, r1= 1.67, r2= 2.17, r3= 4.14, r4= 4.64,  &end
#
#   2 GUA  H2'     3 CYT  H6        2.12 3.24  (# peak 9)
 &rst
  ixpk= 0, nxpk= 0, iat=  61,  78, r1= 1.62, r2= 2.12, r3= 3.24, r4= 3.74,  &end
#
#   2 GUA  H2"     2 GUA  H8        2.26 3.50  (#2.59   # peak 7)
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  45, r1= 1.76, r2= 2.26, r3= 3.50, r4= 4.00,  &end
#
#   2 GUA  H2"     3 CYT  H5        2.25 3.60  (#~3.98   # peak    252)
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  80, r1= 1.75, r2= 2.25, r3= 3.60, r4= 4.10,  &end
#
#   2 GUA  H2"     3 CYT  H6        2.00 3.40  (#~3.24   # peak  8)
 &rst
  ixpk= 0, nxpk= 0, iat=  62,  78, r1= 1.50, r2= 2.00, r3= 3.40, r4= 3.90,  &end
#
#   2 GUA  H1'     2 GUA  H8        2.54 4.00  (#3.36   # peak     56)
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  45, r1= 2.04, r2= 2.54, r3= 4.00, r4= 4.50,  &end
#
#   2 GUA  H1'     3 CYT  H6        2.30 3.20  (#~3.67   # peak 62)
 &rst
  ixpk= 0, nxpk= 0, iat=  42,  78, r1= 1.80, r2= 2.30, r3= 3.20, r4= 3.70,  &end
#
#   2 GUA  H1'     8 THY  H4'       2.93 5.50  (# peak    354)
 &rst
  ixpk= 0, nxpk= 0, iat=  42, 229, r1= 2.43, r2= 2.93, r3= 5.50, r4= 6.00,  &end
#
#   2 GUA  H8      3 CYT  H5        2.42 5.00  (##3.89   # peak 65)
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  80, r1= 1.92, r2= 2.42, r3= 5.00, r4= 5.50,  &end
#
#   2 GUA  H8      3 CYT  H6        2.18 5.00  (#~4.50   ##4.11   # peak  87)
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  78, r1= 1.68, r2= 2.18, r3= 5.00, r4= 5.50,  &end
#
#   2 GUA  H8      8 THY  H4'       2.35 4.45  (# peak    144)
 &rst
  ixpk= 0, nxpk= 0, iat=  45, 229, r1= 1.85, r2= 2.35, r3= 4.45, r4= 4.95,  &end
#
#   3 CYT  H4'     3 CYT  H2"       2.15 3.20  (##~3.00   #2.40   # peak 257)
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  92, r1= 1.65, r2= 2.15, r3= 3.20, r4= 3.70,  &end
#
#   3 CYT  H4'     3 CYT  H1'       2.38 2.62  (# peak    122)
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  75, r1= 1.88, r2= 2.38, r3= 2.62, r4= 3.12,  &end
#
#   3 CYT  H4'     4 THY  H6        2.20 4.35  (# peak    121)
 &rst
  ixpk= 0, nxpk= 0, iat=  72, 108, r1= 1.70, r2= 2.20, r3= 4.35, r4= 4.85,  &end
#
#   3 CYT  H3'     3 CYT  H6        2.60 3.49  (# peak    315)
 &rst
  ixpk= 0, nxpk= 0, iat=  89,  78, r1= 2.10, r2= 2.60, r3= 3.49, r4= 3.99,  &end
#
#   3 CYT  H3'     4 THY  H6        3.30 5.50  (# peak    332)
 &rst
  ixpk= 0, nxpk= 0, iat=  89, 108, r1= 2.80, r2= 3.30, r3= 5.50, r4= 6.00,  &end
#
#   3 CYT  H2'     3 CYT  H5        2.18 4.38  (# peak    292)
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  80, r1= 1.68, r2= 2.18, r3= 4.38, r4= 4.88,  &end
#
#   3 CYT  H2'     3 CYT  H6        2.31 2.68  (# peak     17)
 &rst
  ixpk= 0, nxpk= 0, iat=  91,  78, r1= 1.81, r2= 2.31, r3= 2.68, r4= 3.18,  &end
#
#   3 CYT  H2"     3 CYT  H1'       1.80 3.14  (# peak 1)
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  75, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#   3 CYT  H2"     3 CYT  H5        2.88 6.00  (#5.50   # peak    291)
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  80, r1= 2.38, r2= 2.88, r3= 6.00, r4= 6.50,  &end
#
#   3 CYT  H2"     3 CYT  H6        2.19 4.00  (#3.60   #3.36   # peak    149)
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  78, r1= 1.69, r2= 2.19, r3= 4.00, r4= 4.50,  &end
#
#   3 CYT  H1'     3 CYT  H6        2.06 3.83  (# peak     69)
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  78, r1= 1.56, r2= 2.06, r3= 3.83, r4= 4.33,  &end
#
#   3 CYT  H1'     4 THY  M7        1.80 3.21  (# peak    228)
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 111, 112, 113,
 &end
#
#   3 CYT  H1'     4 THY  H6        2.06 4.51  (# peak    191)
 &rst
  ixpk= 0, nxpk= 0, iat=  75, 108, r1= 1.56, r2= 2.06, r3= 4.51, r4= 5.01,  &end
#
#   3 CYT  H1'    16 THY  M7        2.82 4.54  (# peak     31)
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  -1, r1= 2.32, r2= 2.82, r3= 5.45, r4= 5.95,
 igr2= 491, 492, 493,
 &end
#
#   4 THY  H4'     4 THY  H2"       1.80 2.65  (# peak    262)
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 124, r1= 1.30, r2= 1.80, r3= 2.65, r4= 3.15,  &end
#
#   4 THY  H4'     4 THY  H1'       2.35 3.39  (# peak    272)
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 105, r1= 1.85, r2= 2.35, r3= 3.39, r4= 3.89,  &end
#
#   4 THY  H4'     4 THY  H6        2.51 3.73  (# peak    139)
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 108, r1= 2.01, r2= 2.51, r3= 3.73, r4= 4.23,  &end
#
#   4 THY  H4'     6 CYT  H5        2.76 5.50  (# peak    141)
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 174, r1= 2.26, r2= 2.76, r3= 5.50, r4= 6.00,  &end
#
#   4 THY  H4'     6 CYT  H6        2.51 4.66  (# peak    362)
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 172, r1= 2.01, r2= 2.51, r3= 4.66, r4= 5.16,  &end
#
#   4 THY  H3'     4 THY  H6        2.19 3.98  (# peak    112)
 &rst
  ixpk= 0, nxpk= 0, iat= 121, 108, r1= 1.69, r2= 2.19, r3= 3.98, r4= 4.48,  &end
#
#   4 THY  H2'     4 THY  H6        2.49 3.50  (#3.00   #2.62   # peak     23)
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 108, r1= 1.99, r2= 2.49, r3= 3.50, r4= 4.00,  &end
#
#   4 THY  H2"     4 THY  H1'       1.80 3.11  (# peak     35)
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 105, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#   4 THY  H2"     4 THY  H6        2.00 4.40  (##~4.20   #4.00   #2.96   # peak  20)
 &rst
  ixpk= 0, nxpk= 0, iat= 124, 108, r1= 1.50, r2= 2.00, r3= 4.40, r4= 4.90,  &end
#
#   4 THY  H1'     4 THY  H6        2.47 3.58  (# peak     64)
 &rst
  ixpk= 0, nxpk= 0, iat= 105, 108, r1= 1.97, r2= 2.47, r3= 3.58, r4= 4.08,  &end
#
#   4 THY  M7      4 THY  H6        1.80 3.40  (#2.40   # peak    223)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 108, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 111, 112, 113,
 &end
#
#   4 THY  M7     15 GUA  H1'       3.13 4.00  (#3.36   # peak    229)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 452, r1= 2.63, r2= 3.13, r3= 4.80, r4= 5.30,
 igr1= 111, 112, 113,
 &end
#
#   4 THY  M7     15 GUA  H8        2.78 5.50  (# peak    162)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 455, r1= 2.28, r2= 2.78, r3= 6.61, r4= 7.11,
 igr1= 111, 112, 113,
 &end
#
#   4 THY  M7     16 THY  M7        2.99 3.40  (#2.40   # peak    270)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.49, r2= 2.99, r3= 4.90, r4= 5.40,
 igr1= 111, 112, 113,
 igr2= 491, 492, 493,
 &end
#
#   5 THY  H3'     5 THY  H6        2.69 3.45  (# peak    114)
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 140, r1= 2.19, r2= 2.69, r3= 3.45, r4= 3.95,  &end
#
#   5 THY  H2'     5 THY  H6        2.00 2.52  (# peak     18)
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 140, r1= 1.50, r2= 2.00, r3= 2.52, r4= 3.02,  &end
#
#   5 THY  H2"     5 THY  H6        2.63 3.50  (#2.90   # peak     11)
 &rst
  ixpk= 0, nxpk= 0, iat= 156, 140, r1= 2.13, r2= 2.63, r3= 3.50, r4= 4.00,  &end
#
#   5 THY  H1'     5 THY  M7        2.73 5.50  (# peak    154)
 &rst
  ixpk= 0, nxpk= 0, iat= 137,  -1, r1= 2.23, r2= 2.73, r3= 6.61, r4= 7.11,
 igr2= 143, 144, 145,
 &end
#
#   5 THY  H1'     5 THY  H6        2.62 3.55  (# peak     58)
 &rst
  ixpk= 0, nxpk= 0, iat= 137, 140, r1= 2.12, r2= 2.62, r3= 3.55, r4= 4.05,  &end
#
#   5 THY  M7      5 THY  H6        1.80 3.40  (#2.40   # peak     21)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 140, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 143, 144, 145,
 &end
#
#   6 CYT  H4'     6 CYT  H2"       2.47 3.50  (##2.99   # peak    294)
 &rst
  ixpk= 0, nxpk= 0, iat= 166, 186, r1= 1.97, r2= 2.47, r3= 3.50, r4= 4.00,  &end
#
#   6 CYT  H4'     6 CYT  H1'       2.20 2.68  (##3.33   # peak    293)
 &rst
  ixpk= 0, nxpk= 0, iat= 166, 169, r1= 1.70, r2= 2.20, r3= 2.68, r4= 3.18,  &end
#
#   6 CYT  H4'     6 CYT  H6        2.23 4.20  (# peak    118)
 &rst
  ixpk= 0, nxpk= 0, iat= 166, 172, r1= 1.73, r2= 2.23, r3= 4.20, r4= 4.70,  &end
#
#   6 CYT  H3'     6 CYT  H6        2.63 3.21  (# peak     85)
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 172, r1= 2.13, r2= 2.63, r3= 3.21, r4= 3.71,  &end
#
#   6 CYT  H3'     7 GUA  H8        2.25 4.35  (# peak    108)
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 202, r1= 1.75, r2= 2.25, r3= 4.35, r4= 4.85,  &end
#
#   6 CYT  H2'     6 CYT  H5        2.37 5.00  (# peak    153)
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 174, r1= 1.87, r2= 2.37, r3= 5.00, r4= 5.50,  &end
#
#   6 CYT  H2'     6 CYT  H6        1.80 2.64  (# peak     19)
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 172, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,  &end
#
#   6 CYT  H2'     7 GUA  H8        2.58 3.36  (# peak     15)
 &rst
  ixpk= 0, nxpk= 0, iat= 185, 202, r1= 2.08, r2= 2.58, r3= 3.36, r4= 3.86,  &end
#
#   6 CYT  H2"     6 CYT  H5        2.15 6.00  (#5.50   #5.00   #4.50   #3.70   # peak    233)
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 174, r1= 1.65, r2= 2.15, r3= 6.00, r4= 6.50,  &end
#
#   6 CYT  H2"     6 CYT  H6        2.38 3.80  (#2.80   # peak     10)
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 172, r1= 1.88, r2= 2.38, r3= 3.80, r4= 4.30,  &end
#
#   6 CYT  H2"     7 GUA  H8        2.07 2.70  (##3.14   # peak    243)
 &rst
  ixpk= 0, nxpk= 0, iat= 186, 202, r1= 1.57, r2= 2.07, r3= 2.70, r4= 3.20,  &end
#
#   6 CYT  H1'     6 CYT  H6        1.80 3.67  (# peak     60)
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 172, r1= 1.30, r2= 1.80, r3= 3.67, r4= 4.17,  &end
#
#   6 CYT  H1'     7 GUA  H8        2.44 3.90  (##4.79   # peak 67)
 &rst
  ixpk= 0, nxpk= 0, iat= 169, 202, r1= 1.94, r2= 2.44, r3= 3.90, r4= 4.40,  &end
#
#   7 GUA  H4'     7 GUA  H2"       2.17 3.21  (# peak    297)
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 219, r1= 1.67, r2= 2.17, r3= 3.21, r4= 3.71,  &end
#
#   7 GUA  H4'     7 GUA  H1'       2.15 3.18  (# peak    111)
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 199, r1= 1.65, r2= 2.15, r3= 3.18, r4= 3.68,  &end
#
#   7 GUA  H4'     8 THY  H6        2.29 4.00  (##4.88   # peak 93)
 &rst
  ixpk= 0, nxpk= 0, iat= 196, 235, r1= 1.79, r2= 2.29, r3= 4.00, r4= 4.50,  &end
#
#   7 GUA  H3'     7 GUA  H8        2.62 3.24  (# peak    106)
 &rst
  ixpk= 0, nxpk= 0, iat= 216, 202, r1= 2.12, r2= 2.62, r3= 3.24, r4= 3.74,  &end
#
#   7 GUA  H2'     7 GUA  H8        2.00 2.40  (# peak 5)
 &rst
  ixpk= 0, nxpk= 0, iat= 218, 202, r1= 1.50, r2= 2.00, r3= 2.40, r4= 2.90,  &end
#
#   7 GUA  H2"     7 GUA  H8        2.43 4.00  (#2.68   # peak     13)
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 202, r1= 1.93, r2= 2.43, r3= 4.00, r4= 4.50,  &end
#
#   7 GUA  H1'     7 GUA  H8        2.38 4.00  (#3.45   # peak     57)
 &rst
  ixpk= 0, nxpk= 0, iat= 199, 202, r1= 1.88, r2= 2.38, r3= 4.00, r4= 4.50,  &end
#
#   7 GUA  H1'     8 THY  M7        2.00 3.21  (# peak     32)
 &rst
  ixpk= 0, nxpk= 0, iat= 199,  -1, r1= 1.50, r2= 2.00, r3= 3.86, r4= 4.36,
 igr2= 238, 239, 240,
 &end
#
#   7 GUA  H8      8 THY  M7        2.79 5.16  (# peak    221)
 &rst
  ixpk= 0, nxpk= 0, iat= 202,  -1, r1= 2.29, r2= 2.79, r3= 6.20, r4= 6.70,
 igr2= 238, 239, 240,
 &end
#
#   8 THY  H4'     8 THY  H2"       2.85 3.98  (# peak    283)
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 251, r1= 2.35, r2= 2.85, r3= 3.98, r4= 4.48,  &end
#
#   8 THY  H4'     8 THY  H1'       2.53 3.64  (# peak    308)
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 232, r1= 2.03, r2= 2.53, r3= 3.64, r4= 4.14,  &end
#
#   8 THY  H4'     8 THY  H6        2.43 4.76  (# peak    145)
 &rst
  ixpk= 0, nxpk= 0, iat= 229, 235, r1= 1.93, r2= 2.43, r3= 4.76, r4= 5.26,  &end
#
#   8 THY  H3'     8 THY  H6        2.60 3.18  (# peak     72)
 &rst
  ixpk= 0, nxpk= 0, iat= 248, 235, r1= 2.10, r2= 2.60, r3= 3.18, r4= 3.68,  &end
#
#   8 THY  H2'     8 THY  H6        2.55 3.49  (# peak    346)
 &rst
  ixpk= 0, nxpk= 0, iat= 250, 235, r1= 2.05, r2= 2.55, r3= 3.49, r4= 3.99,  &end
#
#   8 THY  H2"     8 THY  H6        2.22 4.14  (# peak    345)
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 235, r1= 1.72, r2= 2.22, r3= 4.14, r4= 4.64,  &end
#
#   8 THY  H1'     8 THY  H6        2.36 3.80  (# peak     70)
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 235, r1= 1.86, r2= 2.36, r3= 3.80, r4= 4.30,  &end
#
#   8 THY  M7      8 THY  H6        1.80 3.40  (#2.40   # peak     26)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 235, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 238, 239, 240,
 &end
#
#   9 THY  H4'     9 THY  H1'       2.77 3.46  (##4.01   # peak    124)
 &rst
  ixpk= 0, nxpk= 0, iat= 260, 263, r1= 2.27, r2= 2.77, r3= 3.46, r4= 3.96,  &end
#
#   9 THY  H3'     9 THY  H6        2.61 4.48  (# peak     86)
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 266, r1= 2.11, r2= 2.61, r3= 4.48, r4= 4.98,  &end
#
#   9 THY  H3'    10 GUA  H8        3.08 3.70  (##5.50   # peak    109)
 &rst
  ixpk= 0, nxpk= 0, iat= 279, 298, r1= 2.58, r2= 3.08, r3= 3.70, r4= 4.20,  &end
#
#   9 THY  H2'     9 THY  H6        2.00 2.83  (# peak     16)
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 266, r1= 1.50, r2= 2.00, r3= 2.83, r4= 3.33,  &end
#
#   9 THY  H2'    10 GUA  H8        2.32 3.56  (##5.50   # peak 14)
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 298, r1= 1.82, r2= 2.32, r3= 3.56, r4= 4.06,  &end
#
#   9 THY  H2"     9 THY  H6        2.14 3.34  (##3.95   # peak    239)
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 266, r1= 1.64, r2= 2.14, r3= 3.34, r4= 3.84,  &end
#
#   9 THY  H2"    10 GUA  H8        2.40 3.23  (##4.97   # peak    210)
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 298, r1= 1.90, r2= 2.40, r3= 3.23, r4= 3.73,  &end
#
#   9 THY  H1'     9 THY  H6        2.39 3.00  (##4.11   # peak 59)
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 266, r1= 1.89, r2= 2.39, r3= 3.00, r4= 3.50,  &end
#
#   9 THY  H1'    10 GUA  H8        2.19 5.50  (# peak    350)
 &rst
  ixpk= 0, nxpk= 0, iat= 263, 298, r1= 1.69, r2= 2.19, r3= 5.50, r4= 6.00,  &end
#
#   9 THY  M7      9 THY  H6        1.80 2.83  (# peak     22)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,
 igr1= 269, 270, 271,
 &end
#
#  10 GUA  H4'    10 GUA  H2"       2.09 3.76  (# peak    306)
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 315, r1= 1.59, r2= 2.09, r3= 3.76, r4= 4.26,  &end
#
#  10 GUA  H4'    10 GUA  H1'       2.17 3.90  (#~3.08   ##4.01   # peak 116)
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 295, r1= 1.67, r2= 2.17, r3= 3.90, r4= 4.40,  &end
#
#  10 GUA  H4'    10 GUA  H8        2.51 4.00  (#~4.66   # peak    115)
 &rst
  ixpk= 0, nxpk= 0, iat= 292, 298, r1= 2.01, r2= 2.51, r3= 4.00, r4= 4.50,  &end
#
#  10 GUA  H3'    10 GUA  H8        2.39 4.23  (# peak     75)
 &rst
  ixpk= 0, nxpk= 0, iat= 312, 298, r1= 1.89, r2= 2.39, r3= 4.23, r4= 4.73,  &end
#
#  10 GUA  H2'    10 GUA  H8        2.00 2.40  (# peak 6)
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 298, r1= 1.50, r2= 2.00, r3= 2.40, r4= 2.90,  &end
#
#  10 GUA  H2'    11 CYT  H5        2.17 4.14  (# peak    253)
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 333, r1= 1.67, r2= 2.17, r3= 4.14, r4= 4.64,  &end
#
#  10 GUA  H2'    11 CYT  H6        2.12 3.24  (# peak 9)
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 331, r1= 1.62, r2= 2.12, r3= 3.24, r4= 3.74,  &end
#
#  10 GUA  H2"    10 GUA  H8        2.26 3.50  (#2.59   # peak 7)
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 298, r1= 1.76, r2= 2.26, r3= 3.50, r4= 4.00,  &end
#
#  10 GUA  H2"    11 CYT  H5        2.25 3.60  (#~3.98   # peak    252)
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 333, r1= 1.75, r2= 2.25, r3= 3.60, r4= 4.10,  &end
#
#  10 GUA  H2"    11 CYT  H6        2.00 3.40  (#~3.24   # peak  8)
 &rst
  ixpk= 0, nxpk= 0, iat= 315, 331, r1= 1.50, r2= 2.00, r3= 3.40, r4= 3.90,  &end
#
#  10 GUA  H1'    10 GUA  H8        2.54 4.00  (#3.36   # peak     56)
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 298, r1= 2.04, r2= 2.54, r3= 4.00, r4= 4.50,  &end
#
#  10 GUA  H1'    11 CYT  H6        2.30 3.20  (#~3.67   # peak 62)
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 331, r1= 1.80, r2= 2.30, r3= 3.20, r4= 3.70,  &end
#
#  10 GUA  H1'    16 THY  H4'       2.93 5.50  (# peak    354)
 &rst
  ixpk= 0, nxpk= 0, iat= 295, 482, r1= 2.43, r2= 2.93, r3= 5.50, r4= 6.00,  &end
#
#  10 GUA  H8     11 CYT  H5        2.42 5.00  (#33.89   # peak 65)
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 333, r1= 1.92, r2= 2.42, r3= 5.00, r4= 5.50,  &end
#
#  10 GUA  H8     11 CYT  H6        2.18 5.00  (#~4.50   ##4.11   # peak  87)
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 331, r1= 1.68, r2= 2.18, r3= 5.00, r4= 5.50,  &end
#
#  10 GUA  H8     16 THY  H4'       2.35 4.45  (# peak    144)
 &rst
  ixpk= 0, nxpk= 0, iat= 298, 482, r1= 1.85, r2= 2.35, r3= 4.45, r4= 4.95,  &end
#
#  11 CYT  H4'    11 CYT  H2"       2.15 3.20  (##~3.00   #2.40   # peak 257)
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 345, r1= 1.65, r2= 2.15, r3= 3.20, r4= 3.70,  &end
#
#  11 CYT  H4'    11 CYT  H1'       2.38 2.62  (# peak    122)
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 328, r1= 1.88, r2= 2.38, r3= 2.62, r4= 3.12,  &end
#
#  11 CYT  H4'    12 THY  H6        2.20 4.35  (# peak    121)
 &rst
  ixpk= 0, nxpk= 0, iat= 325, 361, r1= 1.70, r2= 2.20, r3= 4.35, r4= 4.85,  &end
#
#  11 CYT  H3'    11 CYT  H6        2.60 3.49  (# peak    315)
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 331, r1= 2.10, r2= 2.60, r3= 3.49, r4= 3.99,  &end
#
#  11 CYT  H3'    12 THY  H6        3.30 5.50  (# peak    332)
 &rst
  ixpk= 0, nxpk= 0, iat= 342, 361, r1= 2.80, r2= 3.30, r3= 5.50, r4= 6.00,  &end
#
#  11 CYT  H2'    11 CYT  H5        2.18 4.38  (# peak    292)
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 333, r1= 1.68, r2= 2.18, r3= 4.38, r4= 4.88,  &end
#
#  11 CYT  H2'    11 CYT  H6        2.31 2.68  (# peak     17)
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 331, r1= 1.81, r2= 2.31, r3= 2.68, r4= 3.18,  &end
#
#  11 CYT  H2"    11 CYT  H1'       1.80 3.14  (# peak 1)
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 328, r1= 1.30, r2= 1.80, r3= 3.14, r4= 3.64,  &end
#
#  11 CYT  H2"    11 CYT  H5        2.88 6.00  (#5.50   # peak    291)
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 333, r1= 2.38, r2= 2.88, r3= 6.00, r4= 6.50,  &end
#
#  11 CYT  H2"    11 CYT  H6        2.19 4.00  (#3.60   #3.36   # peak    149)
 &rst
  ixpk= 0, nxpk= 0, iat= 345, 331, r1= 1.69, r2= 2.19, r3= 4.00, r4= 4.50,  &end
#
#  11 CYT  H1'    11 CYT  H6        2.06 3.83  (# peak     69)
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 331, r1= 1.56, r2= 2.06, r3= 3.83, r4= 4.33,  &end
#
#  11 CYT  H1'    12 THY  M7        1.80 3.21  (# peak    228)
 &rst
  ixpk= 0, nxpk= 0, iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 3.86, r4= 4.36,
 igr2= 364, 365, 366,
 &end
#
#  11 CYT  H1'    12 THY  H6        2.06 4.51  (# peak    191)
 &rst
  ixpk= 0, nxpk= 0, iat= 328, 361, r1= 1.56, r2= 2.06, r3= 4.51, r4= 5.01,  &end
#
#  11 CYT  H1'     8 THY  M7        2.82 4.54  (# peak     31)
 &rst
  ixpk= 0, nxpk= 0, iat= 328,  -1, r1= 2.32, r2= 2.82, r3= 5.45, r4= 5.95,
 igr2= 238, 239, 240,
 &end
#
#  12 THY  H4'    12 THY  H2"       2.40 2.65  (# peak    262)
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 377, r1= 1.90, r2= 2.40, r3= 2.65, r4= 3.15,  &end
#
#  12 THY  H4'    12 THY  H1'       2.35 3.39  (# peak    272)
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 358, r1= 1.85, r2= 2.35, r3= 3.39, r4= 3.89,  &end
#
#  12 THY  H4'    12 THY  H6        2.51 3.73  (# peak    139)
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 361, r1= 2.01, r2= 2.51, r3= 3.73, r4= 4.23,  &end
#
#  12 THY  H4'    14 CYT  H5        2.76 5.50  (# peak    141)
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 427, r1= 2.26, r2= 2.76, r3= 5.50, r4= 6.00,  &end
#
#  12 THY  H4'    14 CYT  H6        2.51 4.66  (# peak    362)
 &rst
  ixpk= 0, nxpk= 0, iat= 355, 425, r1= 2.01, r2= 2.51, r3= 4.66, r4= 5.16,  &end
#
#  12 THY  H3'    12 THY  H6        2.19 3.98  (# peak    112)
 &rst
  ixpk= 0, nxpk= 0, iat= 374, 361, r1= 1.69, r2= 2.19, r3= 3.98, r4= 4.48,  &end
#
#  12 THY  H2'    12 THY  H6        2.49 3.50  (#3.00   #2.62   # peak     23)
 &rst
  ixpk= 0, nxpk= 0, iat= 376, 361, r1= 1.99, r2= 2.49, r3= 3.50, r4= 4.00,  &end
#
#  12 THY  H2"    12 THY  H1'       1.80 3.11  (# peak     35)
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 358, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,  &end
#
#  12 THY  H2"    12 THY  H6        2.00 4.40  (##~4.20   #4.00   #2.96   # peak  20)
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 361, r1= 1.50, r2= 2.00, r3= 4.40, r4= 4.90,  &end
#
#  12 THY  H1'    12 THY  H6        2.47 3.58  (# peak     64)
 &rst
  ixpk= 0, nxpk= 0, iat= 358, 361, r1= 1.97, r2= 2.47, r3= 3.58, r4= 4.08,  &end
#
#  12 THY  M7     12 THY  H6        1.80 3.40  (#2.40   # peak    223)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 361, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 364, 365, 366,
 &end
#
#  12 THY  M7      7 GUA  H1'       3.13 4.00  (#3.36   # peak    229)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 199, r1= 2.63, r2= 3.13, r3= 4.80, r4= 5.30,
 igr1= 364, 365, 366,
 &end
#
#  12 THY  M7      7 GUA  H8        2.78 5.50  (# peak    162)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 202, r1= 2.28, r2= 2.78, r3= 6.61, r4= 7.11,
 igr1= 364, 365, 366,
 &end
#
#  12 THY  M7      8 THY  M7        2.99 3.40  (#2.40   # peak    270)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 2.49, r2= 2.99, r3= 4.90, r4= 5.40,
 igr1= 364, 365, 366,
 igr2= 238, 239, 240,
 &end
#
#  13 THY  H3'    13 THY  H6        2.69 3.45  (# peak    114)
 &rst
  ixpk= 0, nxpk= 0, iat= 406, 393, r1= 2.19, r2= 2.69, r3= 3.45, r4= 3.95,  &end
#
#  13 THY  H2'    13 THY  H6        2.00 2.52  (# peak     18)
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 393, r1= 1.50, r2= 2.00, r3= 2.52, r4= 3.02,  &end
#
#  13 THY  H2"    13 THY  H6        2.63 3.50  (#2.90   # peak     11)
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 393, r1= 2.13, r2= 2.63, r3= 3.50, r4= 4.00,  &end
#
#  13 THY  H1'    13 THY  M7        2.73 5.50  (# peak    154)
 &rst
  ixpk= 0, nxpk= 0, iat= 390,  -1, r1= 2.23, r2= 2.73, r3= 6.61, r4= 7.11,
 igr2= 396, 397, 398,
 &end
#
#  13 THY  H1'    13 THY  H6        2.62 3.55  (# peak     58)
 &rst
  ixpk= 0, nxpk= 0, iat= 390, 393, r1= 2.12, r2= 2.62, r3= 3.55, r4= 4.05,  &end
#
#  13 THY  M7     13 THY  H6        1.80 3.40  (#2.40   # peak     21)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 393, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 396, 397, 398,
 &end
#
#  14 CYT  H4'    14 CYT  H2"       2.47 3.50  (##2.99   # peak    294)
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 439, r1= 1.97, r2= 2.47, r3= 3.50, r4= 4.00,  &end
#
#  14 CYT  H4'    14 CYT  H1'       2.20 2.68  (#33.33   # peak    293)
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 422, r1= 1.70, r2= 2.20, r3= 2.68, r4= 3.18,  &end
#
#  14 CYT  H4'    14 CYT  H6        2.23 4.20  (# peak    118)
 &rst
  ixpk= 0, nxpk= 0, iat= 419, 425, r1= 1.73, r2= 2.23, r3= 4.20, r4= 4.70,  &end
#
#  14 CYT  H3'    14 CYT  H6        2.63 3.21  (# peak     85)
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 425, r1= 2.13, r2= 2.63, r3= 3.21, r4= 3.71,  &end
#
#  14 CYT  H3'    15 GUA  H8        2.25 4.35  (# peak    108)
 &rst
  ixpk= 0, nxpk= 0, iat= 436, 455, r1= 1.75, r2= 2.25, r3= 4.35, r4= 4.85,  &end
#
#  14 CYT  H2'    14 CYT  H5        2.37 5.00  (# peak    153)
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 427, r1= 1.87, r2= 2.37, r3= 5.00, r4= 5.50,  &end
#
#  14 CYT  H2'    14 CYT  H6        1.80 2.64  (# peak     19)
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 425, r1= 1.30, r2= 1.80, r3= 2.64, r4= 3.14,  &end
#
#  14 CYT  H2'    15 GUA  H8        2.58 3.36  (# peak     15)
 &rst
  ixpk= 0, nxpk= 0, iat= 438, 455, r1= 2.08, r2= 2.58, r3= 3.36, r4= 3.86,  &end
#
#  14 CYT  H2"    14 CYT  H5        2.15 6.00  (#5.50   #5.00   #4.50   #3.70   # peak    233)
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 427, r1= 1.65, r2= 2.15, r3= 6.00, r4= 6.50,  &end
#
#  14 CYT  H2"    14 CYT  H6        2.38 3.80  (#2.80   # peak     10)
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 425, r1= 1.88, r2= 2.38, r3= 3.80, r4= 4.30,  &end
#
#  14 CYT  H2"    15 GUA  H8        2.07 2.70  (##3.14   # peak    243)
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 455, r1= 1.57, r2= 2.07, r3= 2.70, r4= 3.20,  &end
#
#  14 CYT  H1'    14 CYT  H6        2.40 3.67  (# peak     60)
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 425, r1= 1.90, r2= 2.40, r3= 3.67, r4= 4.17,  &end
#
#  14 CYT  H1'    15 GUA  H8        2.44 3.90  (##4.79   # peak 67)
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 455, r1= 1.94, r2= 2.44, r3= 3.90, r4= 4.40,  &end
#
#  15 GUA  H4'    15 GUA  H2"       2.17 3.21  (# peak    297)
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 472, r1= 1.67, r2= 2.17, r3= 3.21, r4= 3.71,  &end
#
#  15 GUA  H4'    15 GUA  H1'       2.15 3.18  (# peak    111)
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 452, r1= 1.65, r2= 2.15, r3= 3.18, r4= 3.68,  &end
#
#  15 GUA  H4'    16 THY  H6        2.29 4.00  (##4.88   # peak 93)
 &rst
  ixpk= 0, nxpk= 0, iat= 449, 488, r1= 1.79, r2= 2.29, r3= 4.00, r4= 4.50,  &end
#
#  15 GUA  H3'    15 GUA  H8        2.62 3.24  (# peak    106)
 &rst
  ixpk= 0, nxpk= 0, iat= 469, 455, r1= 2.12, r2= 2.62, r3= 3.24, r4= 3.74,  &end
#
#  15 GUA  H2'    15 GUA  H8        2.00 2.40  (# peak 5)
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 455, r1= 1.50, r2= 2.00, r3= 2.40, r4= 2.90,  &end
#
#  15 GUA  H2"    15 GUA  H8        2.43 4.00  (#2.68   # peak     13)
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 455, r1= 1.93, r2= 2.43, r3= 4.00, r4= 4.50,  &end
#
#  15 GUA  H1'    15 GUA  H8        2.38 4.00  (#3.45   # peak     57)
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 455, r1= 1.88, r2= 2.38, r3= 4.00, r4= 4.50,  &end
#
#  15 GUA  H1'    16 THY  M7        2.00 3.21  (# peak     32)
 &rst
  ixpk= 0, nxpk= 0, iat= 452,  -1, r1= 1.50, r2= 2.00, r3= 3.86, r4= 4.36,
 igr2= 491, 492, 493,
 &end
#
#  15 GUA  H8     16 THY  M7        2.79 5.16  (# peak    221)
 &rst
  ixpk= 0, nxpk= 0, iat= 455,  -1, r1= 2.29, r2= 2.79, r3= 6.20, r4= 6.70,
 igr2= 491, 492, 493,
 &end
#
#  16 THY  H4'    16 THY  H2"       2.85 3.98  (# peak    283)
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 504, r1= 2.35, r2= 2.85, r3= 3.98, r4= 4.48,  &end
#
#  16 THY  H4'    16 THY  H1'       2.53 3.64  (# peak    308)
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 485, r1= 2.03, r2= 2.53, r3= 3.64, r4= 4.14,  &end
#
#  16 THY  H4'    16 THY  H6        2.43 4.76  (# peak    145)
 &rst
  ixpk= 0, nxpk= 0, iat= 482, 488, r1= 1.93, r2= 2.43, r3= 4.76, r4= 5.26,  &end
#
#  16 THY  H3'    16 THY  H6        2.60 3.18  (# peak     72)
 &rst
  ixpk= 0, nxpk= 0, iat= 501, 488, r1= 2.10, r2= 2.60, r3= 3.18, r4= 3.68,  &end
#
#  16 THY  H2'    16 THY  H6        2.55 3.49  (# peak    346)
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 488, r1= 2.05, r2= 2.55, r3= 3.49, r4= 3.99,  &end
#
#  16 THY  H2"    16 THY  H6        2.22 4.14  (# peak    345)
 &rst
  ixpk= 0, nxpk= 0, iat= 504, 488, r1= 1.72, r2= 2.22, r3= 4.14, r4= 4.64,  &end
#
#  16 THY  H1'    16 THY  H6        2.36 3.80  (# peak     70)
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 488, r1= 1.86, r2= 2.36, r3= 3.80, r4= 4.30,  &end
#
#  16 THY  M7     16 THY  H6        1.80 3.40  (#2.40   # peak     26)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 488, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 491, 492, 493,
 &end
#
#   2 GUA  H22     2 GUA  H21       1.80 2.00  (###2.62   # peak  52)
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  54, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   2 GUA  H22     2 GUA  H1        1.80 3.50  (###3.30   # peak  80)
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  51, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   2 GUA  H22    11 CYT  H41       1.80 6.00  (#5.50   # peak    316)
 &rst
  ixpk= 0, nxpk= 0, iat=  55, 336, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   2 GUA  H22     8 THY  M7        1.80 4.91  (# peak    156)
 &rst
  ixpk= 0, nxpk= 0, iat=  55,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 238, 239, 240,
 &end
#
#   2 GUA  H21     2 GUA  H1        1.80 2.20  (###2.50   #3.18   # peak  77)
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  51, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   2 GUA  H21    11 CYT  H42       1.80 6.00  (###5.50   #4.97   # peak  49)
 &rst
  ixpk= 0, nxpk= 0, iat=  54, 337, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   2 GUA  H21     7 GUA  H4'       1.80 4.82  (# peak    110)
 &rst
  ixpk= 0, nxpk= 0, iat=  54, 196, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#   2 GUA  H21     7 GUA  H2'       1.80 5.50  (# peak    287)
 &rst
  ixpk= 0, nxpk= 0, iat=  54, 218, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   2 GUA  H21     7 GUA  H2"       1.80 5.50  (# peak    286)
 &rst
  ixpk= 0, nxpk= 0, iat=  54, 219, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   2 GUA  H21     7 GUA  H1'       1.80 3.36  (# peak     51)
 &rst
  ixpk= 0, nxpk= 0, iat=  54, 199, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#   2 GUA  H21     8 THY  M7        1.80 4.00  (#3.42   # peak    224)
 &rst
  ixpk= 0, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 238, 239, 240,
 &end
#
#   2 GUA  H21     8 THY  H6        1.80 4.00  (#~5.31   # peak    336)
 &rst
  ixpk= 0, nxpk= 0, iat=  54, 235, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   2 GUA  H1     11 CYT  H42       1.80 4.50  (###4.00   #3.64   # peak  82)
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 337, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   2 GUA  H1     11 CYT  H41       1.80 3.00  (###2.80   #3.52   # peak  81)
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 336, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   2 GUA  H1     11 CYT  H5        1.80 5.10  (###5.04   # peak 104)
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 333, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   2 GUA  H1     11 CYT  H6        1.80 5.80  (###5.50   #4.85   # peak  97)
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 331, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   2 GUA  H1      7 GUA  H4'       1.80 5.50  (# peak    288)
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 196, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   2 GUA  H1      7 GUA  H1'       1.80 4.51  (# peak    101)
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 199, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   2 GUA  H1      7 GUA  H22       1.80 4.91  (# peak    325)
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 212, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#   2 GUA  H1      8 THY  H1'       1.80 5.50  (# peak    327)
 &rst
  ixpk= 0, nxpk= 0, iat=  51, 232, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   2 GUA  H1      8 THY  M7        1.80 5.00  (#3.83   # peak    157)
 &rst
  ixpk= 0, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 238, 239, 240,
 &end
#
#   2 GUA  H8      3 CYT  H42       1.80 5.50  (# peak    349)
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  84, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   2 GUA  H8      3 CYT  H41       1.80 5.50  (# peak    323)
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  83, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   3 CYT  H4'    15 GUA  H22       1.80 4.51  (# peak     90)
 &rst
  ixpk= 0, nxpk= 0, iat=  72, 465, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#   3 CYT  H4'    15 GUA  H21       1.80 4.14  (# peak     73)
 &rst
  ixpk= 0, nxpk= 0, iat=  72, 464, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#   3 CYT  H4'    15 GUA  H1        1.80 5.28  (# peak    119)
 &rst
  ixpk= 0, nxpk= 0, iat=  72, 461, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   3 CYT  H2'    15 GUA  H22       1.80 5.50  (# peak    339)
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   3 CYT  H2'    15 GUA  H21       1.80 5.28  (# peak    244)
 &rst
  ixpk= 0, nxpk= 0, iat=  91, 464, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#   3 CYT  H2"    15 GUA  H22       1.80 4.63  (# peak     46)
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 465, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#   3 CYT  H2"    15 GUA  H21       1.80 4.35  (# peak    238)
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 464, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#   3 CYT  H2"    15 GUA  H1        1.80 5.13  (# peak    148)
 &rst
  ixpk= 0, nxpk= 0, iat=  92, 461, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#   3 CYT  H1'    15 GUA  H22       1.80 5.00  (#~3.30   # peak 54)
 &rst
  ixpk= 0, nxpk= 0, iat=  75, 465, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   3 CYT  H1'    15 GUA  H21       1.80 5.00  (#~3.08   # peak 50)
 &rst
  ixpk= 0, nxpk= 0, iat=  75, 464, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   3 CYT  H1'    15 GUA  H1        1.80 4.17  (# peak     83)
 &rst
  ixpk= 0, nxpk= 0, iat=  75, 461, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#   3 CYT  H42     3 CYT  H41       1.80 2.00  (###2.40   # peak  48)
 &rst
  ixpk= 0, nxpk= 0, iat=  84,  83, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   3 CYT  H42     3 CYT  H5        1.80 2.50  (#3.27   # peak     71)
 &rst
  ixpk= 0, nxpk= 0, iat=  84,  80, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   3 CYT  H42     3 CYT  H6        1.80 5.00  (###4.94   # peak  99)
 &rst
  ixpk= 0, nxpk= 0, iat=  84,  78, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   3 CYT  H41     3 CYT  H5        1.80 4.00  (#3.05   # peak     68)
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  80, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   3 CYT  H41     3 CYT  H6        1.80 5.50  (#4.85   # peak     96)
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  78, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   3 CYT  H41    16 THY  H1'       1.80 5.50  (# peak    103)
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   3 CYT  H41    16 THY  M7        1.80 5.50  (# peak    158)
 &rst
  ixpk= 0, nxpk= 0, iat=  83,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 491, 492, 493,
 &end
#
#   4 THY  H4'    15 GUA  H21       1.80 5.50  (# peak    341)
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 464, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   4 THY  H4'    15 GUA  H1        1.80 4.00  (#~5.31   # peak    137)
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 461, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   4 THY  M7     15 GUA  H22       1.80 4.20  (# peak    237)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 465, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 111, 112, 113,
 &end
#
#   4 THY  M7     15 GUA  H21       1.80 4.50  (#3.76   # peak    225)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 464, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 111, 112, 113,
 &end
#
#   4 THY  M7     15 GUA  H1        1.80 4.85  (# peak    159)
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 461, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 111, 112, 113,
 &end
#
#   4 THY  H6     15 GUA  H21       1.80 4.69  (# peak    335)
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 464, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   4 THY  H6     15 GUA  H1        1.80 3.40  (#~4.94   # peak 95)
 &rst
  ixpk= 0, nxpk= 0, iat= 108, 461, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#   4 THY  H4'     6 CYT  H42       1.80 5.07  (# peak    140)
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 178, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#   4 THY  H4'     6 CYT  H41       1.80 4.69  (# peak    138)
 &rst
  ixpk= 0, nxpk= 0, iat= 102, 177, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#   6 CYT  H42     6 CYT  H41       1.80 2.00  (###2.93   # peak 183)
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 177, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   6 CYT  H42     6 CYT  H5        1.80 2.50  (###3.05   # peak  55)
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 174, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   6 CYT  H42    15 GUA  H1        1.80 4.50  (###4.00   #4.26   # peak 343)
 &rst
  ixpk= 0, nxpk= 0, iat= 178, 461, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   6 CYT  H41     6 CYT  H5        1.80 4.00  (#2.68   # peak    102)
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 174, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   6 CYT  H5     15 GUA  H1        1.80 5.10  (###5.00   #4.01   # peak  84)
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 461, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#   6 CYT  H6     15 GUA  H21       1.80 6.00  (#5.50   #5.04   # peak    178)
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 464, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   6 CYT  H6     15 GUA  H1        1.80 5.80  (###5.50   # peak 326)
 &rst
  ixpk= 0, nxpk= 0, iat= 172, 461, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#   7 GUA  H22     7 GUA  H21       1.80 2.00  (###2.40   # peak  53)
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 211, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   7 GUA  H22     7 GUA  H1        1.80 3.50  (###3.40   #3.02   # peak  79)
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 208, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   7 GUA  H21     7 GUA  H1        1.80 2.20  (###2.83   # peak  76)
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 208, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#   3 CYT  H41    15 GUA  H22       1.80 5.50  (#5.00   #4.26   # peak     98)
 &rst
  ixpk= 0, nxpk= 0, iat=  83, 465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   3 CYT  H42    15 GUA  H22       1.80 6.00  (# 5.50   #4.57   # peak    100)
 &rst
  ixpk= 5, nxpk= 0, iat=  84, 465, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   3 CYT  H5     15 GUA  H22       1.80 5.50  (# peak    105)
 &rst
  ixpk= 5, nxpk= 0, iat=  80, 465, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#   2 GUA  H21    12 THY  M7        1.80 6.00  (#4.76   # peak    161)
 &rst
  ixpk= 5, nxpk= 0, iat=  54,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 364, 365, 366,
 &end
#
#   2 GUA  H1     12 THY  M7        1.80 6.00  (#5.50   # peak    160)
 &rst
  ixpk= 5, nxpk= 0, iat=  51,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 364, 365, 366,
 &end
#
#   7 GUA  H22     8 THY  M7        1.80 4.63  (# peak     42)
 &rst
  ixpk= 5, nxpk= 0, iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 238, 239, 240,
 &end
#
#   7 GUA  H1      8 THY  M7        1.80 6.00  (#5.41   # peak    155)
 &rst
  ixpk= 5, nxpk= 0, iat= 208,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 238, 239, 240,
 &end
#
#  10 GUA  H22    10 GUA  H21       1.80 2.00  (###2.62   # peak  52)
 &rst
  ixpk= 5, nxpk= 0, iat= 308, 307, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  10 GUA  H22    10 GUA  H1        1.80 3.50  (###3.30   # peak  80)
 &rst
  ixpk= 5, nxpk= 0, iat= 308, 304, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  10 GUA  H22     3 CYT  H41       1.80 6.00  (#5.50   # peak    316)
 &rst
  ixpk= 5, nxpk= 0, iat= 308,  83, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  10 GUA  H22    16 THY  M7        1.80 4.91  (# peak    156)
 &rst
  ixpk= 5, nxpk= 0, iat= 308,  -1, r1= 1.30, r2= 1.80, r3= 5.90, r4= 6.40,
 igr2= 491, 492, 493,
 &end
#
#  10 GUA  H21    10 GUA  H1        1.80 2.20  (###2.50   #3.18   # peak  77)
 &rst
  ixpk= 5, nxpk= 0, iat= 307, 304, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#  10 GUA  H21     3 CYT  H42       1.80 6.00  (###5.50   #4.97   # peak  49)
 &rst
  ixpk= 5, nxpk= 0, iat= 307,  84, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  10 GUA  H21    15 GUA  H4'       1.80 4.82  (# peak    110)
 &rst
  ixpk= 5, nxpk= 0, iat= 307, 449, r1= 1.30, r2= 1.80, r3= 4.82, r4= 5.32,  &end
#
#  10 GUA  H21    15 GUA  H2'       1.80 5.50  (# peak    287)
 &rst
  ixpk= 5, nxpk= 0, iat= 307, 471, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  10 GUA  H21    15 GUA  H2"       1.80 5.50  (# peak    286)
 &rst
  ixpk= 5, nxpk= 0, iat= 307, 472, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  10 GUA  H21    15 GUA  H1'       1.80 3.36  (# peak     51)
 &rst
  ixpk= 5, nxpk= 0, iat= 307, 452, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,  &end
#
#  10 GUA  H21    16 THY  M7        1.80 4.00  (#3.42   # peak    224)
 &rst
  ixpk= 5, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr2= 491, 492, 493,
 &end
#
#  10 GUA  H21    16 THY  H6        1.80 4.00  (#~5.31   # peak    336)
 &rst
  ixpk= 5, nxpk= 0, iat= 307, 488, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  10 GUA  H1      3 CYT  H42       1.80 4.50  (###4.00   #3.64   # peak  82)
 &rst
  ixpk= 5, nxpk= 0, iat= 304,  84, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  10 GUA  H1      3 CYT  H41       1.80 3.00  (###3.52   # peak  81)
 &rst
  ixpk= 5, nxpk= 0, iat= 304,  83, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  10 GUA  H1      3 CYT  H5        1.80 5.10  (###5.04   # peak 104)
 &rst
  ixpk= 5, nxpk= 0, iat= 304,  80, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  10 GUA  H1      3 CYT  H6        1.80 5.80  (###5.50   #4.85   # peak  97)
 &rst
  ixpk= 5, nxpk= 0, iat= 304,  78, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  10 GUA  H1     15 GUA  H4'       1.80 5.50  (# peak    288)
 &rst
  ixpk= 5, nxpk= 0, iat= 304, 449, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  10 GUA  H1     15 GUA  H1'       1.80 4.51  (# peak    101)
 &rst
  ixpk= 5, nxpk= 0, iat= 304, 452, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  10 GUA  H1     15 GUA  H22       1.80 4.91  (# peak    325)
 &rst
  ixpk= 5, nxpk= 0, iat= 304, 465, r1= 1.30, r2= 1.80, r3= 4.91, r4= 5.41,  &end
#
#  10 GUA  H1     16 THY  H1'       1.80 5.50  (# peak    327)
 &rst
  ixpk= 5, nxpk= 0, iat= 304, 485, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  10 GUA  H1     16 THY  M7        1.80 5.00  (#3.83   # peak    157)
 &rst
  ixpk= 5, nxpk= 0, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr2= 491, 492, 493,
 &end
#
#  10 GUA  H8     11 CYT  H42       1.80 5.50  (# peak    349)
 &rst
  ixpk= 5, nxpk= 0, iat= 298, 337, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  10 GUA  H8     11 CYT  H41       1.80 5.50  (# peak    323)
 &rst
  ixpk= 5, nxpk= 0, iat= 298, 336, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  11 CYT  H4'     7 GUA  H22       1.80 4.51  (# peak     90)
 &rst
  ixpk= 5, nxpk= 0, iat= 325, 212, r1= 1.30, r2= 1.80, r3= 4.51, r4= 5.01,  &end
#
#  11 CYT  H4'     7 GUA  H21       1.80 4.14  (# peak     73)
 &rst
  ixpk= 5, nxpk= 0, iat= 325, 211, r1= 1.30, r2= 1.80, r3= 4.14, r4= 4.64,  &end
#
#  11 CYT  H4'     7 GUA  H1        1.80 5.28  (# peak    119)
 &rst
  ixpk= 5, nxpk= 0, iat= 325, 208, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  11 CYT  H2'     7 GUA  H22       1.80 5.50  (# peak    339)
 &rst
  ixpk= 5, nxpk= 0, iat= 344, 212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  11 CYT  H2'     7 GUA  H21       1.80 5.28  (# peak    244)
 &rst
  ixpk= 5, nxpk= 0, iat= 344, 211, r1= 1.30, r2= 1.80, r3= 5.28, r4= 5.78,  &end
#
#  11 CYT  H2"     7 GUA  H22       1.80 4.63  (# peak     46)
 &rst
  ixpk= 5, nxpk= 0, iat= 345, 212, r1= 1.30, r2= 1.80, r3= 4.63, r4= 5.13,  &end
#
#  11 CYT  H2"     7 GUA  H21       1.80 4.35  (# peak    238)
 &rst
  ixpk= 5, nxpk= 0, iat= 345, 211, r1= 1.30, r2= 1.80, r3= 4.35, r4= 4.85,  &end
#
#  11 CYT  H2"     7 GUA  H1        1.80 5.13  (# peak    148)
 &rst
  ixpk= 5, nxpk= 0, iat= 345, 208, r1= 1.30, r2= 1.80, r3= 5.13, r4= 5.63,  &end
#
#  11 CYT  H1'     7 GUA  H22       1.80 5.00  (#~3.30   # peak 54)
 &rst
  ixpk= 5, nxpk= 0, iat= 328, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 CYT  H1'     7 GUA  H21       1.80 5.00  (#~3.08   # peak 50)
 &rst
  ixpk= 5, nxpk= 0, iat= 328, 211, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 CYT  H1'     7 GUA  H1        1.80 4.17  (# peak     83)
 &rst
  ixpk= 5, nxpk= 0, iat= 328, 208, r1= 1.30, r2= 1.80, r3= 4.17, r4= 4.67,  &end
#
#  11 CYT  H42    11 CYT  H41       1.80 2.00  (###2.40   # peak  48)
 &rst
  ixpk= 5, nxpk= 0, iat= 337, 336, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  11 CYT  H42    11 CYT  H5        1.80 2.50  (#3.27   # peak     71)
 &rst
  ixpk= 5, nxpk= 0, iat= 337, 333, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  11 CYT  H42    11 CYT  H6        1.80 5.00  (###4.94   # peak  99)
 &rst
  ixpk= 5, nxpk= 0, iat= 337, 331, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#  11 CYT  H41    11 CYT  H5        1.80 4.00  (#3.05   # peak     68)
 &rst
  ixpk= 5, nxpk= 0, iat= 336, 333, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  11 CYT  H41    11 CYT  H6        1.80 5.50  (#4.85   # peak     96)
 &rst
  ixpk= 5, nxpk= 0, iat= 336, 331, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  11 CYT  H41     8 THY  H1'       1.80 5.50  (# peak    103)
 &rst
  ixpk= 5, nxpk= 0, iat= 336, 232, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  11 CYT  H41     8 THY  M7        1.80 5.50  (# peak    158)
 &rst
  ixpk= 5, nxpk= 0, iat= 336,  -1, r1= 1.30, r2= 1.80, r3= 6.61, r4= 7.11,
 igr2= 238, 239, 240,
 &end
#
#  12 THY  H4'     7 GUA  H21       1.80 5.50  (# peak    341)
 &rst
  ixpk= 5, nxpk= 0, iat= 355, 211, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  12 THY  H4'     7 GUA  H1        1.80 4.00  (#~5.31   # peak    137)
 &rst
  ixpk= 5, nxpk= 0, iat= 355, 208, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  12 THY  M7      7 GUA  H22       1.80 4.20  (# peak    237)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 364, 365, 366,
 &end
#
#  12 THY  M7      7 GUA  H21       1.80 4.50  (#3.76   # peak    225)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 211, r1= 1.30, r2= 1.80, r3= 5.40, r4= 5.90,
 igr1= 364, 365, 366,
 &end
#
#  12 THY  M7      7 GUA  H1        1.80 4.85  (# peak    159)
 &rst
  ixpk= 5, nxpk= 0, iat=  -1, 208, r1= 1.30, r2= 1.80, r3= 5.82, r4= 6.32,
 igr1= 364, 365, 366,
 &end
#
#  12 THY  H6      7 GUA  H21       1.80 4.69  (# peak    335)
 &rst
  ixpk= 5, nxpk= 0, iat= 361, 211, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  12 THY  H6      7 GUA  H1        1.80 3.40  (#~4.94   # peak 95)
 &rst
  ixpk= 5, nxpk= 0, iat= 361, 208, r1= 1.30, r2= 1.80, r3= 3.40, r4= 3.90,  &end
#
#  12 THY  H4'    14 CYT  H42       1.80 5.07  (# peak    140)
 &rst
  ixpk= 5, nxpk= 0, iat= 355, 431, r1= 1.30, r2= 1.80, r3= 5.07, r4= 5.57,  &end
#
#  12 THY  H4'    14 CYT  H41       1.80 4.69  (# peak    138)
 &rst
  ixpk= 5, nxpk= 0, iat= 355, 430, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,  &end
#
#  14 CYT  H42    14 CYT  H41       1.80 2.00  (###2.93   # peak 183)
 &rst
  ixpk= 5, nxpk= 0, iat= 431, 430, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  14 CYT  H42    14 CYT  H5        1.80 2.50  (###3.05   # peak  55)
 &rst
  ixpk= 5, nxpk= 0, iat= 431, 427, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#  14 CYT  H42     7 GUA  H1        1.80 4.50  (###4.00   #4.26   # peak 343)
 &rst
  ixpk= 5, nxpk= 0, iat= 431, 208, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#  14 CYT  H41    14 CYT  H5        1.80 4.00  (#2.68   # peak    102)
 &rst
  ixpk= 5, nxpk= 0, iat= 430, 427, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#  14 CYT  H5      7 GUA  H1        1.80 5.10  (###5.00   #4.01   # peak  84)
 &rst
  ixpk= 5, nxpk= 0, iat= 427, 208, r1= 1.30, r2= 1.80, r3= 5.10, r4= 5.60,  &end
#
#  14 CYT  H6      7 GUA  H21       1.80 6.00  (#5.50   #5.04   # peak    178)
 &rst
  ixpk= 5, nxpk= 0, iat= 425, 211, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  14 CYT  H6      7 GUA  H1        1.80 5.80  (###5.50   # peak 326)
 &rst
  ixpk= 5, nxpk= 0, iat= 425, 208, r1= 1.30, r2= 1.80, r3= 5.80, r4= 6.30,  &end
#
#  15 GUA  H22    15 GUA  H21       1.80 2.00  (###2.40   # peak  53)
 &rst
  ixpk= 5, nxpk= 0, iat= 465, 464, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#  15 GUA  H22    15 GUA  H1        1.80 3.50  (###3.40   #3.02   # peak  79)
 &rst
  ixpk= 5, nxpk= 0, iat= 465, 461, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#  15 GUA  H21    15 GUA  H1        1.80 2.20  (###2.83   # peak  76)
 &rst
  ixpk= 5, nxpk= 0, iat= 464, 461, r1= 1.30, r2= 1.80, r3= 2.20, r4= 2.70,  &end
#
#  11 CYT  H41     7 GUA  H22       1.80 5.50  (#5.00   #4.26   # peak     98)
 &rst
  ixpk= 5, nxpk= 0, iat= 336, 212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  11 CYT  H42     7 GUA  H22       1.80 6.00  (#5.50   #4.57   # peak    100)
 &rst
  ixpk= 5, nxpk= 0, iat= 337, 212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#  11 CYT  H5      7 GUA  H22       1.80 5.50  (# peak    105)
 &rst
  ixpk= 5, nxpk= 0, iat= 333, 212, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#  10 GUA  H21     4 THY  M7        1.80 6.00  (#4.76   # peak    161)
 &rst
  ixpk= 5, nxpk= 0, iat= 307,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 111, 112, 113,
 &end
#
#  10 GUA  H1      4 THY  M7        1.80 6.00  (#5.50   # peak    160 )
 &rst
  ixpk= 5, nxpk= 0, iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 111, 112, 113,
 &end
#
#  15 GUA  H22    16 THY  M7        1.80 4.63  (# peak     42)
 &rst
  ixpk= 5, nxpk= 0, iat= 465,  -1, r1= 1.30, r2= 1.80, r3= 5.56, r4= 6.06,
 igr2= 491, 492, 493,
 &end
#
#  15 GUA  H1     16 THY  M7        1.80 6.00  (#5.41   # peak    155)
 &rst
  ixpk= 5, nxpk= 0, iat= 461,  -1, r1= 1.30, r2= 1.80, r3= 7.21, r4= 7.71,
 igr2= 491, 492, 493,
 &end



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