NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id cing stage position program type subtype subsubtype
476182 1tf3 cing 1-original 1 AMBER distance NOE simple


#
#    1 MET   HA      1 MET   QB    3.00  (# noech.upl:3.00)
 &rst iat=   4,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,

      rk2=20.0, rk3=20.0, ir6=1,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   6,   7,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    1 MET   HA      1 MET   QG    5.00  (# noech.upl:5.00)
 &rst iat=   4,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   9,   9,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    1 MET   QB      1 MET   QG    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=   6,   7,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   9,   9,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HA      2 LYS   HB+   2.50  (# noech.upl:2.50)
 &rst iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  25,  26,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HA      2 LYS   HG+   3.00  (# noech.upl:3.00)
 &rst iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  28,  29,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HA      2 LYS   HG-   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  28,  29,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HA      2 LYS   QD    5.00  (# noech.upl:5.00)
 &rst iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  31,  32,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HB+     2 LYS   QD    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  25,  26,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  31,  32,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HG+     2 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=  28,  29,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  34,  35,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HG-     2 LYS   QD    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  28,  29,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  31,  32,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HG-     2 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=  28,  29,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  34,  35,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   QD      2 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=  31,  32,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  34,  35,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HA      3 ARG   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=  23,  43, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    2 LYS   HA      3 ARG   QD    4.00  (# noech.upl:4.00)
 &rst iat=  23,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  53,  54,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    2 LYS   HG-     4 TYR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,  67, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  28,  29,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   H       3 ARG   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=  43,  47, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 ARG   H       3 ARG   HG+   4.00  (# noenh_750.upl:4.00)
 &rst iat=  43,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HA      3 ARG   HB2   3.00  (# noech.upl:3.00)
 &rst iat=  45,  47, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    3 ARG   HA      3 ARG   HG+   4.00  (# noech.upl:4.00)
 &rst iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HA      3 ARG   HG-   5.00  (# noech.upl:5.00)
 &rst iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HA      3 ARG   QD    3.00  (# noech.upl:5.00,noech_750.upl:3.00)
 &rst iat=  45,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  53,  54,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HB2     3 ARG   HG+   2.50  (# noech.upl:2.50)
 &rst iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HB2     3 ARG   HG-   2.50  (# noech.upl:2.50)
 &rst iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HB2     3 ARG   QD    3.00  (# noech.upl:3.00)
 &rst iat=  47,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  53,  54,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HB3     3 ARG   HG+   2.50  (# noech.upl:2.50)
 &rst iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HB3     3 ARG   HG-   2.50  (# noech.upl:2.50)
 &rst iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HB3     3 ARG   QD    4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  53,  54,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HG+     3 ARG   QD    3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  53,  54,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HG-     3 ARG   QD    3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  53,  54,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HA      4 TYR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  45,  67, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 ARG   HA      4 TYR   HB2   5.00  (# noech.upl:5.00)
 &rst iat=  45,  71, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 ARG   HB2     4 TYR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  47,  67, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 ARG   HB3    14 ALA   MB    3.00  (# noech.upl:3.00)
 &rst iat=  48,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   QD     14 ALA   MB    5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=  53,  54,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HB2    15 TYR   HA    5.50  (# noech.upl:5.50)
 &rst iat=  47, 209, r1= 1.30, r2= 1.80, r3= 5.50, r4= 6.00,  &end
#
#    3 ARG   HG-    15 TYR   HB3   5.00  (# noech.upl:5.00)
 &rst iat=  -1, 212, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  50,  51,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    3 ARG   HA     16 ASN   HA    4.00  (# noech.upl:4.00)
 &rst iat=  45, 230, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    3 ARG   HA     16 ASN   HB2   5.00  (# noech_750.upl:5.00)
 &rst iat=  45, 232, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    3 ARG   HA     16 ASN   HB3   5.00  (# noech_750.upl:5.00)
 &rst iat=  45, 233, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 TYR   H       4 TYR   HB2   5.00  (# noenh_750.upl:5.00)
 &rst iat=  67,  71, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 TYR   H       4 TYR   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat=  67,  72, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    4 TYR   H       4 TYR   HD    4.00  (# noenh_750.upl:4.00)
 &rst iat=  67,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  75,  84,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HA      4 TYR   HD    4.00  (# aromatic_750.upl:4.00)
 &rst iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  75,  84,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HA      4 TYR   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  77,  82,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HB2     4 TYR   HD    5.00  (# noech.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  75,  84,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HB3     4 TYR   HD    4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  75,  84,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HA      5 ILE   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=  69,  88, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    4 TYR   H      16 ASN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  67, 228, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    4 TYR   HD     16 ASN   HA    4.00  (# noech.upl:4.00)
 &rst iat=  -1, 230, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=  75,  84,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HD     17 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=  75,  84,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HE     17 LYS   HA    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1, 244, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=  77,  82,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HD     18 ASN   HA    5.00  (# noech.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=  75,  84,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HE     18 ASN   HA    5.00  (# noech.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  -1, 266, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=  77,  82,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HE     18 ASN   HB2   4.00  (# noech.upl:4.00,aromatic_750.upl:5.00)
 &rst iat=  -1, 268, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=  77,  82,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HE     18 ASN   HB3   5.00  (# noech.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  -1, 269, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=  77,  82,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HA     21 LEU   MDX   5.00  (# noech.upl:5.00)
 &rst iat=  69,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HB2    21 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HB2    21 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat=  71,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HB3    21 LEU   MDX   4.00  (# noech.upl:4.00)
 &rst iat=  72,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HD     21 LEU   MDX   4.00  (# aromatic_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=  75,  84,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HE     21 LEU   MDX   5.50  (# aromatic_750.upl:5.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.65, r4= 8.15,
 igr1=  77,  82,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    4 TYR   HE    112 DG    H3'   4.50  (# sfnoe.upl:4.50)
 &rst iat=  -1,2006, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=  77,  82,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   H       5 ILE   HB    4.00  (# noenh_750.upl:4.00)
 &rst iat=  88,  92, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    5 ILE   H       5 ILE   HG1+  4.00  (# noenh_750.upl:4.00)
 &rst iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   H       5 ILE   HG1-  4.00  (# noenh_750.upl:4.00)
 &rst iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   H       5 ILE   MG2   4.00  (# noenh_750.upl:4.00)
 &rst iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HA      5 ILE   HB    4.00  (# noech.upl:4.00)
 &rst iat=  90,  92, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    5 ILE   HA      5 ILE   HG1+  4.00  (# noech.upl:4.00)
 &rst iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HA      5 ILE   HG1-  3.00  (# noech.upl:3.00)
 &rst iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HA      5 ILE   MG2   3.00  (# noech.upl:3.00)
 &rst iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HB      5 ILE   HG1+  3.00  (# noech.upl:3.00)
 &rst iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HB      5 ILE   HG1-  3.00  (# noech.upl:3.00)
 &rst iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HB      5 ILE   MD1   3.00  (# noech.upl:3.00)
 &rst iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 101, 102, 103,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HB      5 ILE   MG2   2.50  (# noech.upl:2.50)
 &rst iat=  92,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HG1+    5 ILE   MD1   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 101, 102, 103,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HG1+    5 ILE   MG2   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HG1-    5 ILE   MD1   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 101, 102, 103,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HG1-    5 ILE   MG2   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.29, r4= 3.79,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HA      6 CYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=  90, 107, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    5 ILE   HB      6 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  92, 107, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    5 ILE   HG1+    6 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   MG2     6 CYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 107, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   MG2    12 GLY   HA-   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 182, 183,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HA     14 ALA   HA    3.00  (# noech.upl:3.00)
 &rst iat=  90, 199, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    5 ILE   HA     14 ALA   MB    3.00  (# noech.upl:3.00)
 &rst iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HG1+   14 ALA   HA    5.00  (# noech.upl:5.00)
 &rst iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HG1+   14 ALA   MB    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HG1-   14 ALA   HA    5.00  (# noech.upl:5.00)
 &rst iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HG1-   14 ALA   MB    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=  98,  99,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   MD1    14 ALA   HA    5.00  (# noech.upl:5.00)
 &rst iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 101, 102, 103,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   MD1    14 ALA   MB    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1= 101, 102, 103,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   MG2    14 ALA   HA    4.00  (# noech.upl:4.00)
 &rst iat=  -1, 199, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   MG2    14 ALA   MB    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.12, r4= 4.62,
 igr1=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   H      21 LEU   MDY   4.00  (# noenh_750.upl:4.00)
 &rst iat=  88,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   HA     21 LEU   MDY   4.00  (# noech.upl:4.00)
 &rst iat=  90,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    5 ILE   MG2    21 LEU   MDY   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.01, r4= 7.51,
 igr1=  94,  95,  96,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   H       6 CYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 107, 109, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6 CYS   H       6 CYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 107, 111, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6 CYS   H       6 CYS   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 107, 112, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6 CYS   HA      6 CYS   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 109, 111, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    6 CYS   HA      6 CYS   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 109, 112, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    6 CYS   HA      7 SER   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 109, 117, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    6 CYS   HA      8 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 109, 128, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 CYS   HA     13 ALA   MB    5.00  (# noech.upl:5.00)
 &rst iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   HB2    13 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 111, 187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 CYS   HB2    13 ALA   MB    3.00  (# noech.upl:3.00)
 &rst iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   HB3    13 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 112, 187, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    6 CYS   HB3    13 ALA   MB    3.00  (# noech.upl:3.00)
 &rst iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   H      14 ALA   HA    5.00  (# noenh_750.upl:5.00)
 &rst iat= 107, 199, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 CYS   H      21 LEU   MDY   4.00  (# noenh_750.upl:4.00)
 &rst iat= 107,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   HA     21 LEU   MDX   4.00  (# noech.upl:4.00)
 &rst iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   HA     21 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   HB2    21 LEU   MDY   4.00  (# noech.upl:4.00)
 &rst iat= 111,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   HB3    21 LEU   MDX   4.00  (# noech.upl:4.00)
 &rst iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   HB3    21 LEU   MDY   5.00  (# noech.upl:5.00)
 &rst iat= 112,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#    6 CYS   HA     24 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 109, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 CYS   HB2    24 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 111, 383, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 CYS   HA     25 LEU   HG    5.00  (# noech_750.upl:5.00)
 &rst iat= 109, 394, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    6 CYS   HA     25 LEU   MDY   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 109,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#    7 SER   HA      7 SER   HB+   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    7 SER   HA      7 SER   HB-   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    7 SER   H       8 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 117, 128, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    7 SER   HA      8 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 119, 128, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    7 SER   H      25 LEU   MDX   4.00  (# noenh_750.upl:4.00)
 &rst iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#    7 SER   H      25 LEU   MDY   3.00  (# noenh_750.upl:3.00)
 &rst iat= 117,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#    7 SER   HA     25 LEU   MDX   5.00  (# noech_750.upl:5.00)
 &rst iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#    7 SER   HA     25 LEU   MDY   5.00  (# noech_750.upl:5.00)
 &rst iat= 119,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#    7 SER   HB+    25 LEU   MDX   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1= 121, 122,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#    8 PHE   H       8 PHE   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 128, 130, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8 PHE   H       8 PHE   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat= 128, 132, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    8 PHE   H       8 PHE   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 128, 133, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8 PHE   H       8 PHE   HD    4.00  (# noenh_750.upl:4.00)
 &rst iat= 128,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 136, 144,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    8 PHE   HA      8 PHE   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 130, 132, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    8 PHE   HA      8 PHE   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 130, 133, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#    8 PHE   HA      8 PHE   HD    4.00  (# noech.upl:4.00,noech_750.upl:4.00,aromatic_750.upl:5.00)
 &rst iat= 130,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 136, 144,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    8 PHE   HB2     8 PHE   HD    4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat= 132,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 136, 144,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    8 PHE   HB3     8 PHE   HD    4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat= 133,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 136, 144,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    8 PHE   HA      9 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 130, 148, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    8 PHE   HB3    11 CYS   HB2   5.00  (# noech.upl:5.00)
 &rst iat= 133, 174, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 PHE   HB3    11 CYS   HB3   5.00  (# noech.upl:5.00)
 &rst iat= 133, 175, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 PHE   HE     25 LEU   MDY   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 138, 142,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#    8 PHE   HB2    28 HIS   HE1   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 132, 449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 PHE   HB3    28 HIS   HE1   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 133, 449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 PHE   HD     29 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 136, 144,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    8 PHE   HE     29 THR   MG2   4.00  (# noech_750.upl:4.00,aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.17, r4= 5.67,
 igr1= 138, 142,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    8 PHE   HZ     29 THR   HA    5.00  (# aromatic_750.upl:5.00)
 &rst iat= 140, 458, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    8 PHE   HZ     29 THR   MG2   3.00  (# noech.upl:3.00)
 &rst iat= 140,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    9 ALA   H       9 ALA   HA    5.00  (# noenh_750.upl:5.00)
 &rst iat= 148, 150, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#    9 ALA   H       9 ALA   MB    4.00  (# noenh_750.upl:4.00)
 &rst iat= 148,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 152, 153, 154,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    9 ALA   HA      9 ALA   MB    2.50  (# noech.upl:2.50)
 &rst iat= 150,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 152, 153, 154,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    9 ALA   HA     10 ASP   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 150, 158, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#    9 ALA   MB     10 ASP   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 158, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 152, 153, 154,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#    9 ALA   MB     10 ASP   HB+   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 152, 153, 154,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 162, 163,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   10 ASP   H      10 ASP   HA    3.00  (# noenh_750.upl:3.00)
 &rst iat= 158, 160, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 ASP   H      10 ASP   HB-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 158,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 162, 163,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   10 ASP   HA     10 ASP   HB+   3.00  (# noech.upl:3.00)
 &rst iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 162, 163,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   10 ASP   HA     10 ASP   HB-   2.50  (# noech.upl:2.50)
 &rst iat= 160,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 162, 163,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   10 ASP   H      11 CYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 158, 170, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   10 ASP   HA     11 CYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 160, 170, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 CYS   H      11 CYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 170, 172, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 CYS   H      11 CYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 170, 174, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 CYS   H      11 CYS   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat= 170, 175, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   11 CYS   HA     11 CYS   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 172, 174, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   11 CYS   HA     11 CYS   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 172, 175, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   11 CYS   H      12 GLY   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 170, 180, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 CYS   HB2    12 GLY   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 174, 180, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 CYS   HB3    12 GLY   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 175, 180, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   11 CYS   H      13 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 170, 187, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 CYS   H      28 HIS   HE1   5.00  (# noenh_750.upl:5.00)
 &rst iat= 170, 449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 CYS   HB2    28 HIS   HE1   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 174, 449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   11 CYS   HB3    28 HIS   HE1   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 175, 449, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   12 GLY   H      12 GLY   HA+   3.00  (# noenh_750.upl:3.00)
 &rst iat= 180,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 182, 183,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   12 GLY   H      13 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 180, 187, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   12 GLY   HA-    13 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 187, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 182, 183,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   H      13 ALA   HA    3.00  (# noenh_750.upl:3.00)
 &rst iat= 187, 189, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   13 ALA   H      13 ALA   MB    3.00  (# noenh_750.upl:3.00)
 &rst iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   HA     13 ALA   MB    2.50  (# noech.upl:2.50)
 &rst iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   H      14 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 187, 197, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 ALA   H      14 ALA   MB    5.00  (# noenh_750.upl:5.00)
 &rst iat= 187,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   HA     14 ALA   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 189, 197, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   13 ALA   HA     14 ALA   HA    5.00  (# noech.upl:5.00)
 &rst iat= 189, 199, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   13 ALA   HA     14 ALA   MB    5.00  (# noech.upl:5.00)
 &rst iat= 189,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   MB     14 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 197, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   MB     15 TYR   HD    5.00  (# noech.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   MB     15 TYR   HE    3.00  (# noech.upl:3.00,aromatic_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.95, r4= 4.45,
 igr1= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 217, 222,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   MB     21 LEU   MDY   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   MB     24 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1, 383, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   13 ALA   MB     24 HIS   HE1   4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1, 380, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 191, 192, 193,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   14 ALA   H      14 ALA   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 197, 199, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   14 ALA   H      14 ALA   MB    3.00  (# noenh_750.upl:3.00)
 &rst iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   14 ALA   HA     14 ALA   MB    2.50  (# noech.upl:2.50)
 &rst iat= 199,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   14 ALA   H      15 TYR   HD    5.00  (# noenh_750.upl:5.00)
 &rst iat= 197,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   14 ALA   HA     15 TYR   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 199, 207, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   14 ALA   MB     15 TYR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 207, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 201, 202, 203,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   H      15 TYR   HD    4.00  (# noenh_750.upl:4.00)
 &rst iat= 207,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HA     15 TYR   HB3   5.00  (# noech.upl:5.00)
 &rst iat= 209, 212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   15 TYR   HA     15 TYR   HD    4.00  (# noech.upl:5.00,aromatic_750.upl:4.00)
 &rst iat= 209,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HB2    15 TYR   HD    5.00  (# aromatic_750.upl:5.00)
 &rst iat= 211,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HB3    15 TYR   HD    4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat= 212,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HB2    16 ASN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 211, 228, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 TYR   HB2    17 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 211, 242, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 TYR   HB3    17 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 212, 242, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 TYR   H      21 LEU   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 207, 328, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   15 TYR   HD     21 LEU   HA    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HD     21 LEU   MDY   4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HE     21 LEU   HA    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1, 326, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 217, 222,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HE     21 LEU   MDY   4.00  (# aromatic_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 217, 222,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HD    104 DG    H2'1  6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HD    104 DG    H3'   4.50  (# sfnoe.upl:4.50)
 &rst iat=  -1,1754, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 215, 224,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   15 TYR   HE    104 DG    H3'   4.50  (# sfnoe.upl:4.50)
 &rst iat=  -1,1754, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1= 217, 222,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   16 ASN   HA     16 ASN   HB+   3.00  (# noech.upl:3.00)
 &rst iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 232, 233,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   16 ASN   HA     16 ASN   HB-   3.00  (# noech.upl:3.00)
 &rst iat= 230,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 232, 233,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   16 ASN   H      17 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 228, 242, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   16 ASN   HD2-   17 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 242, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 237, 238,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   H      17 LYS   HA    5.00  (# noenh_750.upl:5.00)
 &rst iat= 242, 244, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LYS   H      17 LYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 242, 246, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 LYS   HA     17 LYS   HD+   5.00  (# noech.upl:5.00)
 &rst iat= 244,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 252, 253,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HB3    17 LYS   HG+   4.00  (# noech.upl:4.00)
 &rst iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 249, 250,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HB3    17 LYS   HG-   3.00  (# noech.upl:5.00,noech_750.upl:3.00)
 &rst iat= 247,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 249, 250,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HD+    17 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 252, 253,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 249, 250,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HD+    17 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 252, 253,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 255, 256,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HG+    17 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 249, 250,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 255, 256,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HG-    17 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 249, 250,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 255, 256,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HA     18 ASN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 244, 264, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 LYS   HB2    19 TRP   HD1   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 246, 286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LYS   HB3    19 TRP   HD1   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 247, 286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   17 LYS   H      20 LYS   HB-   5.00  (# noenh_750.upl:5.00)
 &rst iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 306, 307,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HB2    20 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 246, 302, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   17 LYS   HD+   112 DG    H2'1  4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,2008, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 252, 253,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HD+   112 DG    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1992, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 252, 253,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HD-   112 DG    H2'1  5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,2008, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 252, 253,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HD-   112 DG    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1992, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 252, 253,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   QE    112 DG    H1'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1989, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 255, 256,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   QE    112 DG    H8    5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1992, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 255, 256,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   QD    113 DG    H8    5.00  (# sfnoe.upl:6.00,sfnoe.upl:5.00)
 &rst iat=  -1,2025, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 252, 253,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   QE    113 DG    H8    5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,2025, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 255, 256,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HD2   114 DT    H7    5.00  (# sfnoe.upl:5.00)
 &rst iat= 252,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   HD3   114 DT    H7    5.00  (# sfnoe.upl:5.00)
 &rst iat= 253,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   17 LYS   QE    114 DT    H7    4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 255, 256,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   18 ASN   H      18 ASN   HA    5.00  (# noenh_750.upl:5.00)
 &rst iat= 264, 266, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ASN   H      18 ASN   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 264, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN   H      18 ASN   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 264, 269, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN   HA     18 ASN   HB2   4.00  (# noech.upl:4.00)
 &rst iat= 266, 268, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN   HA     18 ASN   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 266, 269, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN   HB2    18 ASN   HD2+  4.00  (# noenh_750.upl:4.00)
 &rst iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 273, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   18 ASN   HB2    18 ASN   HD2-  5.00  (# noenh_750.upl:5.00)
 &rst iat= 268,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 273, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   18 ASN   HB3    18 ASN   HD2+  4.00  (# noenh_750.upl:4.00)
 &rst iat= 269,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 273, 274,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   18 ASN   HA     21 LEU   HB2   5.00  (# noech.upl:5.00)
 &rst iat= 266, 328, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   18 ASN   HA     21 LEU   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 266, 329, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   18 ASN   HA     21 LEU   MDX   4.00  (# noech.upl:4.00)
 &rst iat= 266,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   H      19 TRP   HA    5.00  (# noenh_750.upl:5.00)
 &rst iat= 278, 280, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   H      19 TRP   HD1   5.00  (# noenh_750.upl:5.00)
 &rst iat= 278, 286, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   HA     19 TRP   HB+   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 282, 283,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HA     19 TRP   HB-   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 282, 283,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HA     19 TRP   HE3   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 280, 297, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   HB-    19 TRP   HD1   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 286, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 282, 283,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HD1    19 TRP   HE1   5.00  (# noenh_750.upl:5.00)
 &rst iat= 286, 288, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   HA     20 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 280, 302, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   HE1    20 LYS   HB+   5.00  (# noenh_750.upl:5.00)
 &rst iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 306, 307,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HE3    20 LYS   HA    5.00  (# aromatic_750.upl:5.00)
 &rst iat= 297, 304, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   HA     22 GLN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 280, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   HA     22 GLN   HB2   4.00  (# noech.upl:5.00,noech_750.upl:4.00)
 &rst iat= 280, 347, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 TRP   HA     22 GLN   QG    4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 350, 351,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HE3    23 ALA   MB    5.00  (# noech_750.upl:5.00,aromatic_750.upl:5.00)
 &rst iat= 297,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HZ3    23 ALA   MB    5.00  (# noech_750.upl:5.00,aromatic_750.upl:5.00)
 &rst iat= 295,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HA     34 PHE   HD    5.00  (# noech_750.upl:5.00)
 &rst iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HH2   104 DG    H8    4.00  (# sfnoe.upl:4.00)
 &rst iat= 293,1740, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   19 TRP   HZ3   104 DG    H8    3.50  (# sfnoe.upl:3.50)
 &rst iat= 295,1740, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   19 TRP   HZ2   105 DA    H8    5.00  (# sfnoe.upl:5.00)
 &rst iat= 291,1773, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   HD1   113 DG    H2'1  5.00  (# sfnoe.upl:5.00)
 &rst iat= 286,2041, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   19 TRP   HB+   114 DT    H7    5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 282, 283,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HB-   114 DT    H7    6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1= 282, 283,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HD1   114 DT    H7    3.50  (# sfnoe.upl:3.5)
 &rst iat= 286,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   19 TRP   HE1   114 DT    H7    5.00  (# sfnoe.upl:5.00)
 &rst iat= 288,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   H      20 LYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 302, 304, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 LYS   H      20 LYS   HB-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 306, 307,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   H      20 LYS   HG+   5.00  (# noenh_750.upl:5.00)
 &rst iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 309, 310,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   H      20 LYS   HG-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 302,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 309, 310,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HA     20 LYS   HG+   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 309, 310,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HA     20 LYS   HG-   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 309, 310,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HD-    20 LYS   HE+   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   H      21 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 302, 324, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 LYS   HA     21 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 304, 324, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   20 LYS   H      22 GLN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 302, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   20 LYS   HA     23 ALA   MB    4.00  (# noech.upl:5.00,noech_750.upl:4.00)
 &rst iat= 304,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HE+   104 DG    H1'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1737, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HE+   104 DG    H2'1  6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1756, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HE+   104 DG    H2'2  6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1757, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HE+   104 DG    H8    5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HE-   104 DG    H1'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1737, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HE-   104 DG    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   QD    104 DG    H1'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1737, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   QD    104 DG    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1740, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   QE    104 DG    H3'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1754, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HE+   105 DA    H8    5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   HE-   105 DA    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 315, 316,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   20 LYS   QD    105 DA    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1773, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1= 312, 313,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   H      21 LEU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 324, 326, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 LEU   H      21 LEU   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 324, 328, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 LEU   H      21 LEU   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat= 324, 329, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 LEU   H      21 LEU   MDY   4.00  (# noenh_750.upl:4.00)
 &rst iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HA     21 LEU   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 326, 329, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 LEU   HA     21 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HB2    21 LEU   MDX   2.50  (# noech.upl:2.50)
 &rst iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HB2    21 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat= 328,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HB3    21 LEU   HG    3.00  (# noech.upl:3.00)
 &rst iat= 329, 331, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   21 LEU   HB3    21 LEU   MDX   2.50  (# noech.upl:2.50)
 &rst iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HB3    21 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat= 329,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HG     21 LEU   MDX   2.50  (# noech.upl:2.50)
 &rst iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HG     21 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat= 331,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   H      22 GLN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 324, 343, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 LEU   H      22 GLN   HE2+  4.00  (# noenh_750.upl:4.00)
 &rst iat= 324,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 355, 356,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HB2    22 GLN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 328, 343, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 LEU   MDY    22 GLN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 343, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   MDY    22 GLN   HE2+  4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,
 igr2= 355, 356,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   MDY    22 GLN   HE2-  4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,
 igr2= 355, 356,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   HA     23 ALA   MB    5.00  (# noech_750.upl:5.00)
 &rst iat= 326,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   H      24 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 324, 370, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   21 LEU   HA     24 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 326, 370, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 LEU   HA     24 HIS   HB2   4.00  (# noech.upl:4.00)
 &rst iat= 326, 374, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 LEU   HA     24 HIS   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 326, 375, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   21 LEU   MDX    24 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   MDY    24 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   MDY    24 HIS   HB2   4.00  (# noech.upl:4.00)
 &rst iat=  -1, 374, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   21 LEU   MDY    25 LEU   MDY   3.00  (# noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 333, 334, 335, 337, 338, 339,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   H      22 GLN   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 343, 345, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 GLN   H      22 GLN   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat= 343, 347, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 GLN   H      22 GLN   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 343, 348, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 GLN   H      22 GLN   QG    4.00  (# noenh_750.upl:4.00)
 &rst iat= 343,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 350, 351,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HA     22 GLN   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 345, 347, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 GLN   HA     22 GLN   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 345, 348, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   22 GLN   HA     22 GLN   QG    4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 350, 351,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HB2    22 GLN   QG    2.50  (# noech.upl:2.50)
 &rst iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 350, 351,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HB3    22 GLN   QG    2.50  (# noech.upl:2.50)
 &rst iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 350, 351,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HE2+   22 GLN   QG    4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 355, 356,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 350, 351,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HE2-   22 GLN   QG    4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 355, 356,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 350, 351,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   H      23 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 343, 360, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 GLN   HA     23 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 345, 360, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 GLN   HB2    23 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 347, 360, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 GLN   HB2    23 ALA   MB    5.00  (# noech_750.upl:5.00)
 &rst iat= 347,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HB3    23 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 348, 360, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 GLN   HB3    23 ALA   MB    5.00  (# noech_750.upl:5.00)
 &rst iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HE2-   23 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 355, 356,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   QG     23 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 360, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 350, 351,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   H      24 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 343, 370, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   22 GLN   HA     25 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 345, 387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   22 GLN   HA     25 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HA     25 LEU   MDY   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 345,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   22 GLN   HB3    25 LEU   MDX   5.00  (# noech.upl:5.00)
 &rst iat= 348,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   H      23 ALA   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 360, 362, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 ALA   H      23 ALA   MB    3.00  (# noenh_750.upl:3.00)
 &rst iat= 360,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   HA     23 ALA   MB    2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   H      24 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 360, 370, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 ALA   MB     24 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 370, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   MB     24 HIS   HB3   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 375, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   HA     26 SER   HB3   3.00  (# noech.upl:4.00,noech_750.upl:3.00)
 &rst iat= 362, 411, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   23 ALA   HA     46 THR   HB    4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 362, 709, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   23 ALA   HA     46 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 362,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   MB     46 THR   HA    5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   MB     46 THR   HB    3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   MB     46 THR   MG2   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.31, r4= 5.81,
 igr1= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   MB     47 SER   HB2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 723, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   23 ALA   MB     47 SER   HB3   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 724, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   24 HIS   H      24 HIS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 370, 372, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 HIS   H      24 HIS   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat= 370, 374, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 HIS   H      24 HIS   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat= 370, 375, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 HIS   HA     24 HIS   HB2   4.00  (# noech.upl:4.00)
 &rst iat= 372, 374, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 HIS   HA     24 HIS   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 372, 375, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   24 HIS   H      25 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 370, 387, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 HIS   HD2    25 LEU   HA    4.00  (# noech_750.upl:4.00,aromatic_750.upl:4.00)
 &rst iat= 383, 389, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   24 HIS   HD2    25 LEU   MDX   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   24 HIS   HD2    25 LEU   MDY   3.00  (# aromatic_750.upl:3.00)
 &rst iat= 383,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   24 HIS   HA     27 LYS   HD+   5.00  (# noech.upl:5.00,noech_750.upl:5.00)
 &rst iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   24 HIS   HA     27 LYS   HD-   4.00  (# noech_750.upl:4.00)
 &rst iat= 372,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   24 HIS   HE1    27 LYS   HD+   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 380,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   H      25 LEU   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 387, 391, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 LEU   H      25 LEU   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 387, 392, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 LEU   H      25 LEU   HG    4.00  (# noenh_750.upl:4.00)
 &rst iat= 387, 394, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 LEU   H      25 LEU   MDX   4.00  (# noenh_750.upl:4.00)
 &rst iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   H      25 LEU   MDY   5.00  (# noenh_750.upl:5.00)
 &rst iat= 387,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   H      25 LYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 387, 389, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 LEU   HA     25 LEU   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 389, 391, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LEU   HA     25 LEU   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 389, 392, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LEU   HA     25 LEU   HG    3.00  (# noech.upl:3.00)
 &rst iat= 389, 394, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LEU   HA     25 LEU   MDX   4.00  (# noech_750.upl:4.00)
 &rst iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HA     25 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HB2    25 LEU   HG    3.00  (# noech.upl:3.00)
 &rst iat= 391, 394, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LEU   HB2    25 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HB2    25 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HB3    25 LEU   HG    3.00  (# noech.upl:3.00)
 &rst iat= 392, 394, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LEU   HB3    25 LEU   MDX   2.50  (# noech.upl:2.50)
 &rst iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HB3    25 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HG     25 LEU   MDX   2.50  (# noech.upl:2.50)
 &rst iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HG     25 LEU   MDY   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 394,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   H      26 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 387, 406, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 LEU   HB2    26 SER   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 391, 406, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 LEU   HB2    26 SER   HA    5.00  (# noech_750.upl:5.00)
 &rst iat= 391, 408, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 LEU   HB3    26 SER   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 392, 406, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 LEU   HG     26 SER   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 394, 406, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   25 LEU   MDX    26 SER   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   MDY    26 SER   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 406, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HA     28 HIS   HD2   3.00  (# noech_750.upl:3.00,aromatic_750.upl:3.00)
 &rst iat= 389, 452, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   25 LEU   MDY    28 HIS   HB2   5.00  (# noech.upl:5.00,noech_750.upl:5.00)
 &rst iat=  -1, 443, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   MDY    28 HIS   HD2   4.00  (# noech_750.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1, 452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LYS   HA     28 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 389, 439, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   25 LEU   HA     29 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat= 389,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HB2    29 THR   MG2   4.00  (# noech.upl:4.00)
 &rst iat= 391,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   HB3    29 THR   MG2   4.00  (# noech.upl:4.00,noech_750.upl:5.00)
 &rst iat= 392,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   25 LEU   MDX    29 THR   MG2   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 396, 397, 398, 400, 401, 402,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   26 SER   H      26 SER   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 406, 408, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 SER   H      26 SER   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat= 406, 411, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 SER   HA     26 SER   HB3   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 408, 411, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 SER   H      27 LYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 406, 417, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   26 SER   HA     27 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 408, 417, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 SER   HA     28 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 408, 439, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 SER   HA     29 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 408, 456, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 SER   HA     29 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   26 SER   HA     30 GLY   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 408, 470, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 SER   HA     31 GLU   HB+   4.00  (# noech_750.upl:4.00)
 &rst iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   26 SER   HB2    32 LYS   HA    5.00  (# noech_750.upl:5.00)
 &rst iat= 410, 494, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   26 SER   HB3    32 LYS   HA    4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 411, 494, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   26 SER   HB3    32 LYS   HE+   5.00  (# noech.upl:5.00)
 &rst iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   26 SER   HA     46 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat= 408,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   26 SER   HB3    46 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 411,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   H      27 LYS   HA    3.00  (# noenh_750.upl:3.00)
 &rst iat= 417, 419, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   27 LYS   H      27 LYS   HG+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   H      27 LYS   HG-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 417,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HA     27 LYS   HG+   3.00  (# noech.upl:3.00)
 &rst iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HA     27 LYS   HG-   4.00  (# noech.upl:4.00)
 &rst iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HA     27 LYS   QB    2.50  (# noech.upl:2.50)
 &rst iat= 419,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 421, 422,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HD+    27 LYS   HG+   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HD+    27 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HD+    27 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 430, 431,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HD-    27 LYS   HG+   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HD-    27 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HD-    27 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 427, 428,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 430, 431,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HG+    27 LYS   QB    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 421, 422,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HG+    27 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 430, 431,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HG-    27 LYS   QB    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 421, 422,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   HG-    27 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 430, 431,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   QB     27 LYS   QE    4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 421, 422,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 430, 431,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   H      28 HIS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 417, 439, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   27 LYS   HA     28 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 419, 439, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   27 LYS   HG-    28 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 424, 425,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   27 LYS   QB     28 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 439, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 421, 422,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   28 HIS   H      28 HIS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 439, 441, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 HIS   H      28 HIS   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat= 439, 443, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   28 HIS   H      28 HIS   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 439, 444, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 HIS   HA     28 HIS   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 441, 443, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   28 HIS   HA     28 HIS   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 441, 444, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   28 HIS   HB2    28 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 443, 452, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 HIS   H      29 THR   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 439, 456, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   28 HIS   H      29 THR   MG2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 439,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   28 HIS   HB2    29 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 443, 456, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   28 HIS   HB2    29 THR   MG2   4.00  (# noech_750.upl:4.00)
 &rst iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   28 HIS   HB3    29 THR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 444, 456, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   28 HIS   HB3    29 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat= 444,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   28 LYS   HB2    29 THR   MG2   4.00  (# noech.upl:4.00)
 &rst iat= 443,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   28 HIS   H      30 GLY   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 439, 470, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 THR   H      29 THR   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 456, 458, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 THR   H      29 THR   MG2   3.00  (# noenh_750.upl:3.00)
 &rst iat= 456,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   29 THR   HA     29 THR   HB    2.50  (# noech.upl:2.50)
 &rst iat= 458, 460, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   29 THR   HA     29 THR   MG2   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 458,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   29 THR   HB     29 THR   MG2   2.50  (# noech.upl:2.50,noech_750.upl:5.00)
 &rst iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   29 THR   H      30 GLY   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 456, 470, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   29 THR   HA     30 GLY   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 458, 470, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   29 THR   H      31 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 456, 477, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 THR   HB     31 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 460, 477, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   29 THR   HB     31 GLU   HG+   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   29 THR   HB     31 GLU   HG-   5.00  (# noech_750.upl:5.00)
 &rst iat= 460,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   29 THR   MG2    31 GLU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   29 THR   MG2    31 GLU   HB+   5.00  (# noech.upl:5.00,noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   29 THR   MG2    31 GLU   HG+   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   29 THR   MG2    31 GLU   HG-   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 462, 463, 464,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   30 GLY   H      30 GLY   HA+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 472, 473,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   30 GLY   H      30 GLY   HA-   3.00  (# noenh_750.upl:3.00)
 &rst iat= 470,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 472, 473,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   30 GLY   H      31 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 470, 477, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   30 GLY   HA-    31 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 477, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 472, 473,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   H      31 GLU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 477, 479, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   31 GLU   H      31 GLU   HB+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   H      31 GLU   HG+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   H      31 GLU   HG-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 477,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HA     31 GLU   HB+   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HA     31 GLU   HB-   3.00  (# noech.upl:3.00)
 &rst iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HA     31 GLU   HG+   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HA     31 GLU   HG-   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 479,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HB+    31 GLU   HG+   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HB+    31 GLU   HG-   3.00  (# noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HB-    31 GLU   HG+   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HB-    31 GLU   HG-   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 484, 485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HA     32 LYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 479, 492, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   31 GLU   HB+    32 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 492, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HB+    33 PRO   HD+   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   31 GLU   HB+    46 THR   MG2   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 481, 482,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   H      32 LYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 492, 496, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 LYS   H      32 LYS   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 492, 497, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 LYS   HA     32 LYS   HD+   5.00  (# noech.upl:5.00)
 &rst iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 502, 503,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HA     32 LYS   HG+   3.00  (# noech.upl:3.00)
 &rst iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HB2    32 LYS   HD+   2.50  (# noech.upl:2.50)
 &rst iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 502, 503,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HB2    32 LYS   HD-   3.00  (# noech.upl:3.00)
 &rst iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 502, 503,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HB2    32 LYS   HG+   2.50  (# noech.upl:2.50)
 &rst iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HB3    32 LYS   HD-   2.50  (# noech.upl:2.50)
 &rst iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 502, 503,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HB3    32 LYS   HE-   3.00  (# noech.upl:3.00)
 &rst iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HB3    32 LYS   HG-   2.50  (# noech.upl:2.50)
 &rst iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HD+    32 LYS   HE+   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 502, 503,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HD+    32 LYS   HE-   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 502, 503,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HD+    32 LYS   HG-   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 502, 503,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HD-    32 LYS   HE+   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 502, 503,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HE-    32 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HA     33 PRO   HD+   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HA     33 PRO   HD-   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HG+    33 PRO   HD-   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HG-    33 PRO   HD+   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HB2    34 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 496, 528, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   32 LYS   HB3    34 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 497, 528, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 LYS   HB2    44 GLY   HA-   5.00  (# noech.upl:5.00)
 &rst iat= 496,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HB3    44 GLY   HA-   4.00  (# noech.upl:4.00)
 &rst iat= 497,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HG+    44 GLY   HA-   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HA     46 THR   HA    4.00  (# noech_750.upl:4.00)
 &rst iat= 494, 707, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   32 LYS   HA     46 THR   MG2   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 494,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HE+    46 THR   MG2   4.00  (# noech.upl:4.00,noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HE-    46 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HG+    46 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   HG-    46 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 499, 500,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   32 LYS   QE    102 DG    H3'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1688, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 505, 506,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HA     33 PRO   HB+   3.00  (# noech.upl:3.00)
 &rst iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HA     33 PRO   HB-   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HA     33 PRO   HG-   3.00  (# noech.upl:3.00)
 &rst iat= 524,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 518, 519,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HB+    33 PRO   HD-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HB-    33 PRO   HD+   4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HB-    33 PRO   HD-   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HB-    33 PRO   HG-   3.00  (# noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 518, 519,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HD-    33 PRO   HG-   3.00  (# noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 518, 519,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HA     34 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 524, 528, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   33 PRO   HB+    34 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HB-    34 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HB-    34 PHE   HD    5.00  (# noech_750.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HB-    34 PHE   HE    5.00  (# noech_750.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HD-    34 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 528, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HG-    34 PHE   HD    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 518, 519,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HG-    34 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1= 518, 519,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HB+    46 THR   HA    4.00  (# noech_750.upl:4.00)
 &rst iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 521, 522,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HD+    46 THR   HA    3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HD+    46 THR   HB    5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 709, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HD+    46 THR   MG2   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HD-    46 THR   HA    4.00  (# noech_750.upl:4.00)
 &rst iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HD-    46 THR   MG2   3.00  (# noech.upl:4.00,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 515, 516,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HG+    46 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 518, 519,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HG-    46 THR   HA    4.00  (# noech.upl:4.00)
 &rst iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 518, 519,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   33 PRO   HG-    46 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 518, 519,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   H      34 PHE   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 528, 530, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 PHE   H      34 PHE   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 528, 532, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 PHE   H      34 PHE   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 528, 533, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 PHE   H      34 PHE   HD    4.00  (# noenh_750.upl:4.00)
 &rst iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HA     34 PHE   HB2   5.00  (# noech.upl:5.00)
 &rst iat= 530, 532, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   34 PHE   HA     34 PHE   HD    4.00  (# aromatic_750.upl:4.00)
 &rst iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HB2    34 PHE   HD    4.00  (# aromatic_750.upl:4.00)
 &rst iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HB3    34 PHE   HD    4.00  (# aromatic_750.upl:4.00)
 &rst iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   H      35 PRO   HD-   5.00  (# noenh_750.upl:5.00)
 &rst iat= 528,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 549, 550,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HA     35 PRO   HD+   3.00  (# noech.upl:3.00)
 &rst iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 549, 550,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HA     35 PRO   HD-   3.00  (# noech.upl:3.00)
 &rst iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 549, 550,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   H      45 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 528, 685, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   34 PHE   HD     46 THR   HA    5.00  (# noech_750.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  -1, 707, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HD     47 SER   HA    5.00  (# noech_750.upl:5.00,aromatic_750.upl:5.00)
 &rst iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HE     47 SER   HA    4.00  (# noech.upl:5.00,noech_750.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1, 721, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HD     48 LEU   MDY   4.00  (# noech_750.upl:4.00,aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HE     48 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 730, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HE     48 LEU   MDX   5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1= 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HE     48 LEU   MDY   4.00  (# noech_750.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HA     51 LEU   MDX   5.00  (# noech.upl:5.00)
 &rst iat= 530,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HB2    51 LEU   MDX   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 532,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HB3    51 LEU   MDX   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 533,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   34 PHE   HD     51 LEU   MDX   4.00  (# noech_750.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 536, 544,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HA     35 PRO   HB+   4.00  (# noech.upl:4.00)
 &rst iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 555, 556,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HA     35 PRO   HB-   4.00  (# noech.upl:4.00)
 &rst iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 555, 556,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HA     35 PRO   HD-   4.00  (# noech.upl:4.00)
 &rst iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 549, 550,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HB+    35 PRO   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 555, 556,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 552, 553,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HD+    35 PRO   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 549, 550,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 552, 553,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HD-    35 PRO   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 549, 550,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 552, 553,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HA     36 CYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 558, 562, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   35 PRO   HB+    36 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 555, 556,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HB-    36 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 562, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 555, 556,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HA     44 GLY   HA+   3.00  (# noech.upl:3.00)
 &rst iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   35 PRO   HA     44 GLY   HA-   4.00  (# noech.upl:4.00)
 &rst iat= 558,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   H      36 CYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 562, 564, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 CYS   H      36 CYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 562, 566, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 CYS   H      36 CYS   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat= 562, 567, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   36 CYS   HA     36 CYS   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 564, 566, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   36 CYS   HA     36 CYS   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 564, 567, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   36 CYS   HA     37 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 564, 572, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 CYS   HB2    37 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 566, 572, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYS   HB3    38 GLU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 567, 594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYS   H      42 GLU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 562, 643, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 CYS   H      43 LYS   HB2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 562, 660, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYS   HB2    43 LYS   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 566, 661, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 CYS   HB3    43 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 567, 656, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 CYS   HB3    43 LYS   HB2   4.00  (# noech.upl:4.00)
 &rst iat= 567, 660, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   36 CYS   HB3    43 LYS   HG+   5.00  (# noech_750.upl:5.00)
 &rst iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   H      44 GLY   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 562, 678, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYS   H      44 GLY   HA+   5.00  (# noenh_750.upl:5.00)
 &rst iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   H      44 GLY   HA-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   H      51 LEU   MDY   4.00  (# noenh_750.upl:4.00)
 &rst iat= 562,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   HA     51 LEU   MDX   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   HA     51 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat= 564,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   HB2    51 LEU   MDY   4.00  (# noech.upl:4.00)
 &rst iat= 566,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   HB3    51 LEU   MDY   5.00  (# noech.upl:5.00)
 &rst iat= 567,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   36 CYS   HB2    54 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 566, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   36 CYS   HB3    54 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 567, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   37 LYS   H      37 LYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 572, 576, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 LYS   H      37 LYS   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 572, 577, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 LYS   H      37 LYS   HG+   3.00  (# noenh_750.upl:3.00)
 &rst iat= 572,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HA     37 LYS   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 574, 576, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   37 LYS   HA     37 LYS   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 574, 577, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   37 LYS   HA     37 LYS   HG+   3.00  (# noech.upl:3.00)
 &rst iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HA     37 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HA     37 LYS   QD    3.00  (# noech.upl:3.00)
 &rst iat= 574,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 582, 583,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HB2    37 LYS   HG+   2.50  (# noech.upl:2.50)
 &rst iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HB2    37 LYS   HG-   2.50  (# noech.upl:2.50)
 &rst iat= 576,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HB3    37 LYS   HG+   3.00  (# noech.upl:3.00)
 &rst iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HB3    37 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat= 577,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HG+    37 LYS   QD    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 582, 583,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HG+    37 LYS   QE    3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 585, 586,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   HG-    37 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 579, 580,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 585, 586,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   QD     37 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 582, 583,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 585, 586,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   37 LYS   H      38 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 572, 594, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 LYS   HA     38 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 574, 594, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   37 LYS   HB3    38 GLU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 577, 594, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   38 GLU   H      38 GLU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 594, 596, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   38 GLU   H      38 GLU   HB+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   H      38 GLU   HB-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   H      38 GLU   HG-   5.00  (# noenh_750.upl:5.00)
 &rst iat= 594,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HA     38 GLU   HB+   4.00  (# noech.upl:4.00)
 &rst iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HA     38 GLU   HB-   3.00  (# noech.upl:3.00)
 &rst iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HA     38 GLU   HG+   3.00  (# noech.upl:3.00)
 &rst iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HA     38 GLU   HG-   4.00  (# noech.upl:4.00)
 &rst iat= 596,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HB-    38 GLU   HG+   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HB-    38 GLU   HG-   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HA     39 GLU   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 596, 609, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   38 GLU   HB+    39 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HB-    39 GLU   HA    5.00  (# noech.upl:5.00)
 &rst iat=  -1, 611, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HG-    39 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 609, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 601, 602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HB+    41 CYS   HB2   4.00  (# noech_750.upl:4.00)
 &rst iat=  -1, 635, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HB-    41 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   38 GLU   HB+    42 GLU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 641, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 598, 599,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   39 GLU   H      39 GLU   HB+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 613, 614,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   39 GLU   H      39 GLU   QG    4.00  (# noenh_750.upl:4.00)
 &rst iat= 609,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 616, 617,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   39 GLU   HA     39 GLU   HB+   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 613, 614,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   39 GLU   HA     39 GLU   QG    3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 611,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 616, 617,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   39 GLU   HB+    39 GLU   QG    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 613, 614,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 616, 617,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   39 GLU   HB-    39 GLU   QG    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 613, 614,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 616, 617,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   39 GLU   H      40 GLY   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 609, 624, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   39 GLU   HA     40 GLY   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 611, 624, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   39 GLU   HB+    40 GLY   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 624, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 613, 614,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   39 GLU   HA     41 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 611, 631, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   40 GLY   H      40 GLY   HA+   5.00  (# noenh_750.upl:5.00)
 &rst iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   40 GLY   H      40 GLY   HA-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 624,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   40 GLY   H      41 CYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 624, 631, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   40 GLY   HA+    41 CYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   40 GLY   HA-    41 CYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 631, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 626, 627,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   41 CYS   H      41 CYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 631, 633, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   41 CYS   H      41 CYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 631, 635, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   41 CYS   H      41 CYS   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat= 631, 636, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   41 CYS   HA     41 CYS   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 633, 635, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   41 CYS   HA     41 CYS   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 633, 636, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   41 CYS   HA     42 GLU   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 633, 641, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   41 CYS   HB2    42 GLU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 635, 641, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 CYS   HB2    58 HIS   HE1   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 635, 912, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   41 CYS   HB3    58 HIS   HE1   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 636, 912, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   42 GLU   H      42 GLU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 641, 643, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 GLU   H      42 GLU   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 641, 646, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 GLU   H      42 GLU   QG    4.00  (# noenh_750.upl:4.00)
 &rst iat= 641,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 648, 649,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   42 GLU   HA     42 GLU   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 643, 645, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   42 GLU   HA     42 GLU   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 643, 646, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   42 GLU   HA     42 GLU   HG+   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 648, 649,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   42 GLU   HA     42 GLU   HG-   3.00  (# noech_750.upl:3.00)
 &rst iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 648, 649,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   42 GLU   HA     42 GLU   QG    2.50  (# noech.upl:2.50)
 &rst iat= 643,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 648, 649,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   42 GLU   HB2    42 GLU   QG    2.50  (# noech.upl:2.50)
 &rst iat= 645,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 648, 649,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   42 GLU   H      43 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 641, 656, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   42 GLU   HA     43 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 643, 656, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 LYS   H      43 LYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 656, 658, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 LYS   H      43 LYS   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat= 656, 660, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   43 LYS   H      43 LYS   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 656, 661, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 LYS   H      43 LYS   HG+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 656,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HA     43 LYS   HB2   4.00  (# noech.upl:4.00)
 &rst iat= 658, 660, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 LYS   HA     43 LYS   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 658, 661, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   43 LYS   HA     43 LYS   HG+   4.00  (# noech.upl:4.00)
 &rst iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HA     43 LYS   HG-   4.00  (# noech.upl:4.00)
 &rst iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HA     43 LYS   QD    5.00  (# noech.upl:5.00)
 &rst iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 666, 667,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HB3    43 LYS   HG+   2.50  (# noech.upl:2.50)
 &rst iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HB3    43 LYS   HG-   2.50  (# noech.upl:2.50)
 &rst iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HB3    43 LYS   QE    5.00  (# noech.upl:5.00)
 &rst iat= 661,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 669, 670,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HD-    43 LYS   HG-   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 666, 667,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HD-    43 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 666, 667,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 669, 670,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HG+    43 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 669, 670,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HG-    43 LYS   QE    4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 669, 670,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HA     44 GLY   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 658, 678, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   43 LYS   HB2    44 GLY   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 660, 678, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   43 LYS   HB3    44 GLY   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 661, 678, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   43 LYS   HA     45 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat= 658,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 695, 699,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HB3    45 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 661, 685, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   43 LYS   HG-    54 HIS   HD2   4.00  (# noech_750.upl:4.00)
 &rst iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   HG-    54 HIS   HE1   4.00  (# noech_750.upl:4.00)
 &rst iat=  -1, 851, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   43 LYS   QE    101 DT    Q5'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 669, 670,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1633,1634,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   44 GLY   H      44 GLY   HA+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   44 GLY   H      44 GLY   HA-   3.00  (# noenh_750.upl:3.00)
 &rst iat= 678,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   44 GLY   H      45 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 678, 685, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   44 GLY   HA+    45 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   44 GLY   HA-    45 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 685, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 680, 681,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   H      45 PHE   HA    5.00  (# noenh_750.upl:5.00)
 &rst iat= 685, 687, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 PHE   H      45 PHE   HB2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 685, 689, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 PHE   HA     45 PHE   HB2   5.00  (# noech.upl:5.00)
 &rst iat= 687, 689, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 PHE   HA     45 PHE   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 687, 690, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   45 PHE   HA     45 PHE   HD    4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 693, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HB2    45 PHE   HD    5.00  (# aromatic_750.upl:5.00)
 &rst iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 693, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HB3    45 PHE   HD    4.00  (# aromatic_750.upl:4.00)
 &rst iat= 690,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 693, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HA     46 THR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 687, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 PHE   HA     46 THR   MG2   5.00  (# noech.upl:5.00,noech_750.upl:5.00)
 &rst iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HB3    46 THR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 690, 705, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 PHE   HB2    47 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 689, 719, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   45 PHE   HB3    47 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 690, 719, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   45 PHE   HA     51 LEU   MDY   5.00  (# noech.upl:5.00)
 &rst iat= 687,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HB2    51 LEU   HB2   5.00  (# noech.upl:5.00)
 &rst iat= 689, 788, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   45 PHE   HB2    51 LEU   MDY   5.00  (# noech.upl:5.00)
 &rst iat= 689,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HB3    51 LEU   MDY   5.00  (# noech.upl:5.00)
 &rst iat= 690,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HD     51 LEU   MDY   4.00  (# noech.upl:5.00,aromatic_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 693, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HD    101 DT    H3'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 693, 701,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HE    101 DT    H3'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1655, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1= 695, 699,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   45 PHE   HZ    101 DT    H3'   4.50  (# sfnoe.upl:4.50)
 &rst iat= 697,1655, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,  &end
#
#   46 THR   H      46 THR   MG2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 705,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   46 THR   HA     46 THR   HB    3.00  (# noech.upl:4.00,noech_750.upl:3.00)
 &rst iat= 707, 709, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   46 THR   HA     46 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 707,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   46 THR   HB     46 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 709,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 711, 712, 713,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   46 THR   H      47 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 705, 719, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   46 THR   HA     47 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 707, 719, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   46 THR   HA     47 SER   HB3   5.00  (# noech.upl:5.00)
 &rst iat= 707, 724, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 SER   H      47 SER   HB2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 719, 723, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 SER   HA     47 SER   HB2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 721, 723, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 SER   HA     47 SER   HB3   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 721, 724, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 SER   H      48 LEU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 719, 730, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   47 SER   HA     48 LEU   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 721, 730, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   47 SER   HB2    48 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 723, 730, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   47 SER   HB3    48 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 724, 730, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 LEU   H      48 LEU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 730, 732, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 LEU   H      48 LEU   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 730, 734, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 LEU   H      48 LEU   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat= 730, 735, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 LEU   H      48 LEU   MDX   4.00  (# noenh_750.upl:4.00)
 &rst iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HA     48 LEU   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 732, 734, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 LEU   HA     48 LEU   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 732, 735, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 LEU   HA     48 LEU   MDX   5.00  (# noech.upl:5.00)
 &rst iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HA     48 LEU   MDY   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HB2    48 LEU   HG    3.00  (# noech.upl:3.00)
 &rst iat= 734, 737, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 LEU   HB2    48 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HB2    48 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat= 734,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HB3    48 LEU   HG    3.00  (# noech.upl:3.00)
 &rst iat= 735, 737, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   48 LEU   HB3    48 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HB3    48 LEU   MDY   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 735,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HG     48 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HG     48 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   H      49 HIS   HB+   5.00  (# noenh_750.upl:5.00)
 &rst iat= 730,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 753, 754,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HG     49 HIS   HB-   5.00  (# noech_750.upl:5.00)
 &rst iat= 737,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 753, 754,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   HA     51 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 732, 784, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   48 LEU   HA     51 LEU   MDX   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 732,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   MDX    51 LEU   MDX   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   MDX    51 LEU   MDY   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   MDY    51 LEU   HB3   3.00  (# noech.upl:5.00,noech_750.upl:3.00)
 &rst iat=  -1, 789, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   MDY    51 LEU   MDX   3.00  (# noech.upl:3.00,noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.69, r4= 5.19,
 igr1= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   MDY    51 LEU   MDY   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.81, r4= 8.31,
 igr1= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   48 LEU   MDY    52 THR   HA    5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 739, 740, 741, 743, 744, 745,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   49 HIS   HA     49 HIS   HB+   4.00  (# noech.upl:4.00,noech_750.upl:5.00,aromatic_750.upl:5.00)
 &rst iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 753, 754,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   49 HIS   HA     49 HIS   HB-   4.00  (# noech_750.upl:4.00,aromatic_750.upl:5.00)
 &rst iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 753, 754,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   49 HIS   HA    116 DT    H7    5.00  (# sfnoe.upl:5.00)
 &rst iat= 751,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2123,2124,2125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   49 HIS   HB2   116 DT    H7    3.50  (# sfnoe.upl:3.50)
 &rst iat= 753,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2123,2124,2125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   49 HIS   HB3   116 DT    H7    3.50  (# sfnoe.upl:3.50)
 &rst iat= 754,  -1, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2123,2124,2125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   49 HIS   HD2   116 DT    H7    4.50  (# sfnoe.upl:4.50)
 &rst iat= 762,  -1, r1= 1.30, r2= 1.80, r3= 5.16, r4= 5.66,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2123,2124,2125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   49 HIS   HD2   117 DC    H5    5.00  (# sfnoe.upl:5.00)
 &rst iat= 762,2154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 LEU   H      51 LEU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 784, 786, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   H      51 LEU   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 784, 788, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   H      51 LEU   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 784, 789, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   H      51 LEU   MDX   4.00  (# noenh_750.upl:4.00)
 &rst iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   HA     51 LEU   HB2   4.00  (# noech.upl:4.00)
 &rst iat= 786, 788, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   HA     51 LEU   HG    4.00  (# noech.upl:4.00)
 &rst iat= 786, 791, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   HA     51 LEU   MDX   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   HA     51 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat= 786,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   HB2    51 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat= 788,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   HB2    51 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat= 788,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   HB3    51 LEU   HG    3.00  (# noech.upl:3.00)
 &rst iat= 789, 791, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   51 LEU   HB3    51 LEU   MDX   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 789,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   HG     51 LEU   MDX   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   HG     51 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat= 791,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   H      52 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 784, 803, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   HB2    52 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 788, 803, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   HB3    52 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 789, 803, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   HG     52 THR   HA    5.00  (# noech_750.upl:5.00)
 &rst iat= 791, 805, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 LEU   MDX    52 THR   HA    5.00  (# noech.upl:5.00)
 &rst iat=  -1, 805, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   HA     54 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 786, 841, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   51 LEU   HA     54 HIS   HB3   5.00  (# noech.upl:5.00)
 &rst iat= 786, 846, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 LEU   HA     54 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 786, 854, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   51 LEU   MDX    54 HIS   HD2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   MDY    54 HIS   HB3   5.00  (# noech.upl:5.00)
 &rst iat=  -1, 846, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   MDY    54 HIS   HD    3.00  (# aromatic_750.upl:3.00)
 &rst iat=  -1, 854, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   51 LEU   MDX    55 SER   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 858, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 793, 794, 795, 797, 798, 799,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   52 THR   H      52 THR   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 803, 805, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   52 THR   H      52 THR   HB    4.00  (# noenh_750.upl:4.00)
 &rst iat= 803, 807, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   52 THR   H      52 THR   MG2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 803,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 809, 810, 811,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   52 THR   HA     52 THR   HB    3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat= 805, 807, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   52 THR   HA     52 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 805,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 809, 810, 811,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   52 THR   HB     52 THR   MG2   2.50  (# noech.upl:2.50)
 &rst iat= 807,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 809, 810, 811,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   52 THR   H      53 ARG   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 803, 817, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   52 THR   HB     53 ARG   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 807, 817, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   52 THR   HA     55 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 805, 858, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   53 ARG   H      53 ARG   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 817, 819, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   53 ARG   H      53 ARG   HB+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   H      53 ARG   HB-   3.00  (# noenh_750.upl:3.00)
 &rst iat= 817,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HA     53 ARG   HB-   2.50  (# noech.upl:2.50)
 &rst iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HA     53 ARG   HG-   4.00  (# noech_750.upl:4.00)
 &rst iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 824, 825,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HB+    53 ARG   HD-   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HB-    53 ARG   HD+   4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HB-    53 ARG   HG+   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 824, 825,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HB-    53 ARG   HG-   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 824, 825,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HD+    53 ARG   HG-   4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 824, 825,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   H      54 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 817, 841, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   53 ARG   HB+    54 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HB-    54 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 841, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HG-    54 HIS   HB2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1, 845, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 824, 825,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 LEU   HA     54 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 819, 841, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   53 ARG   HA     56 LEU   HG    5.00  (# noech_750.upl:5.00)
 &rst iat= 819, 876, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   53 ARG   HA     56 LEU   MDY   5.00  (# noech_750.upl:5.00)
 &rst iat= 819,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HB-    77 THR   HB    5.00  (# noech.upl:5.00)
 &rst iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HB-    77 THR   MG2   3.00  (# noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 821, 822,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HD+    77 THR   MG2   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HD-    77 THR   MG    5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HD2    77 THR   MG2   4.00  (# noech_750.upl:4.00)
 &rst iat= 827,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HD3    77 THR   MG2   4.00  (# noech_750.upl:4.00)
 &rst iat= 828,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HG+    77 THR   MG2   4.00  (# noech_750.upl:4.00,noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 824, 825,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HG-    77 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 824, 825,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HD+   101 DT    H7    3.50  (# sfnoe.upl:3.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1645,1646,1647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   53 ARG   HD-   101 DT    H7    5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1645,1646,1647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   54 HIS   H      54 HIS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 841, 843, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 HIS   H      54 HIS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 841, 845, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 HIS   H      54 HIS   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 841, 846, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 HIS   HA     54 HIS   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 843, 845, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   54 HIS   H      55 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 841, 858, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 HIS   HB3    55 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 846, 858, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   54 HIS   HA     57 THR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 843, 888, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   54 HIS   HA     57 THR   MG2   3.00  (# noech.upl:3.00)
 &rst iat= 843,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   55 SER   H      55 SER   HA    3.00  (# noenh_750.upl:3.00)
 &rst iat= 858, 860, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   55 SER   H      56 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 858, 869, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   55 SER   HA     56 LEU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 860, 869, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 SER   QB     56 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 869, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 862, 863,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   55 SER   H      57 THR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 858, 888, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 SER   HA     58 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 860, 902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   55 SER   HA     58 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 860, 915, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   55 SER   QB     58 HIS   HD2   4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1, 915, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 862, 863,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   H      56 LEU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 869, 871, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 LEU   H      56 LEU   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat= 869, 873, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 LEU   H      56 LEU   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 869, 874, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 LEU   H      56 LEU   MDX   5.00  (# noenh_750.upl:5.00)
 &rst iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   H      56 LEU   MDY   5.00  (# noenh_750.upl:5.00)
 &rst iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HA     56 LEU   HB2   4.00  (# noech.upl:4.00)
 &rst iat= 871, 873, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 LEU   HA     56 LEU   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 871, 874, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 LEU   HA     56 LEU   HG    4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat= 871, 876, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 LEU   HA     56 LEU   MDX   4.00  (# noech.upl:4.00)
 &rst iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HA     56 LEU   MDY   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HB2    56 LEU   MDX   2.50  (# noech.upl:2.50)
 &rst iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HB2    56 LEU   MDY   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 873,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HB3    56 LEU   HG    3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 874, 876, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   56 LEU   HB3    56 LEU   MDX   2.50  (# noech.upl:2.50)
 &rst iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HB3    56 LEU   MDY   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 874,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HG     56 LEU   MDX   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HG     56 LEU   MDY   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   H      57 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 869, 888, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 LEU   H      57 THR   MG2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 869,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HA     57 THR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 871, 888, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 LEU   HB2    57 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 873, 888, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   56 LEU   HA     59 THR   MG2   4.00  (# noech.upl:4.00)
 &rst iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 925, 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HA     61 GLU   HB3   5.00  (# noech_750.upl:5.00)
 &rst iat= 871, 945, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 LEU   HA     61 GLU   HG-   4.00  (# noech.upl:4.00)
 &rst iat= 871,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   MDY    61 GLU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   MDY    61 GLU   HA    5.00  (# noech.upl:5.00)
 &rst iat=  -1, 942, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   MDY    61 GLU   HB2   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  -1, 944, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   MDY    61 GLU   HB3   4.00  (# noech_750.upl:4.00)
 &rst iat=  -1, 945, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   MDY    61 GLU   HG-   4.00  (# noech.upl:4.00,noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HB3    76 THR   HA    5.00  (# noech_750.upl:5.00)
 &rst iat= 874,1164, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   56 LEU   MDX    76 THR   HB    5.00  (# noech.upl:5.00)
 &rst iat=  -1,1166, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   MDY    76 THR   HA    4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   HG     77 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat= 876,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   56 LEU   MDY    77 THR   HB    5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,1180, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1= 878, 879, 880, 882, 883, 884,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   H      57 THR   HA    3.00  (# noenh_750.upl:3.00)
 &rst iat= 888, 890, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   57 THR   H      57 THR   HB    4.00  (# noenh_750.upl:4.00)
 &rst iat= 888, 892, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 THR   H      57 THR   MG2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 888,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   HA     57 THR   HB    2.50  (# noech.upl:2.50)
 &rst iat= 890, 892, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   57 THR   HA     57 THR   MG2   2.50  (# noech.upl:2.50,noech_750.upl:4.00)
 &rst iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   HB     57 THR   MG2   3.00  (# noech.upl:3.00)
 &rst iat= 892,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   H      58 HIS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 888, 902, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   57 THR   HB     58 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 892, 902, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   57 THR   MG2    58 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 902, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   HA     76 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat= 890,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   MG2    76 THR   HB    5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,1166, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   MG2    99 DG    H2'2  6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   HB    100 DA    H3'   5.00  (# sfnoe.upl:5.00)
 &rst iat= 892,1623, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   57 THR   MG2   100 DA    H1'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1607, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   MG2   100 DA    H2'1  5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   MG2   100 DA    H3'   3.50  (# sfnoe.upl:3.50)
 &rst iat=  -1,1623, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   MG2   100 DA    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   MG2   100 DA    Q45'  5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1604,1601,1602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   MG2   100 DA    Q5'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1601,1602,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   57 THR   MG2   101 DT    H7    6.00  (# sfnoe.upl:6.0,sfnoe.upl:6.0)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.54, r4= 8.04,
 igr1= 894, 895, 896,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1645,1646,1647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   58 HIS   H      58 HIS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 902, 906, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 HIS   H      58 HIS   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat= 902, 907, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 HIS   H      58 HIS   HD2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 902, 915, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 HIS   HA     58 HIS   HB3   4.00  (# noech.upl:4.00)
 &rst iat= 904, 907, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 HIS   HB3    58 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat= 907, 915, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   58 HIS   H      59 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 902, 919, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 HIS   H      59 THR   MG2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 902,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 925, 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   58 HIS   HB2    59 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 906, 919, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   58 HIS   HB2    59 THR   MG2   4.00  (# noech.upl:5.00,noech_750.upl:4.00)
 &rst iat= 906,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 925, 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   58 HIS   HB3    59 THR   MG2   4.00  (# noech_750.upl:4.00)
 &rst iat= 907,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 925, 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   59 THR   H      59 THR   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat= 919, 921, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 THR   H      59 THR   MG2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 919,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 925, 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   59 THR   HA     59 THR   MG2   3.00  (# noech.upl:3.00)
 &rst iat= 921,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 925, 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   59 THR   HB     59 THR   MG2   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 925, 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   59 THR   HA     60 GLY   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 921, 933, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 THR   HB     61 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 923, 940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   59 THR   HB     61 GLU   HB3   5.00  (# noech.upl:5.00)
 &rst iat= 923, 945, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   59 THR   HB     61 GLU   HG-   3.00  (# noech.upl:4.00,noech_750.upl:3.00)
 &rst iat= 923,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   59 THR   MG2    61 GLU   HG-   5.00  (# noech.upl:5.00,noech_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1= 925, 926, 927,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   60 GLY   H      60 GLY   HA+   4.00  (# noenh_750.upl:4.00)
 &rst iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 935, 936,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   60 GLY   H      60 GLY   HA-   3.00  (# noenh_750.upl:3.00)
 &rst iat= 933,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 935, 936,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   60 GLY   H      61 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 933, 940, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   60 GLY   HA+    61 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 935, 936,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   60 GLY   HA-    61 GLU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1, 940, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 935, 936,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   61 GLU   H      61 GLU   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat= 940, 944, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 GLU   H      61 GLU   HG-   4.00  (# noenh_750.upl:4.00)
 &rst iat= 940,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   61 GLU   HA     61 GLU   HB2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 942, 944, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 GLU   HA     61 GLU   HB3   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 942, 945, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 GLU   HA     61 GLU   HG-   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat= 942,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   61 GLU   HB2    61 GLU   HG+   3.00  (# noech_750.upl:3.00)
 &rst iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   61 GLU   HB2    61 GLU   HG-   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 944,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   61 GLU   HB3    61 GLU   HG-   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 947, 948,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   61 GLU   HA     62 LYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 942, 955, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   61 GLU   HB3    62 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 945, 955, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   61 GLU   HB3    63 ASN   QD2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 945,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 986, 987,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   H      62 LYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 955, 959, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   62 LYS   H      62 LYS   HB3   5.00  (# noenh_750.upl:5.00)
 &rst iat= 955, 960, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LYS   HA     62 LYS   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 957, 959, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LYS   HA     62 LYS   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 957, 960, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LYS   HA     62 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HB2    62 LYS   HG-   4.00  (# noech.upl:4.00)
 &rst iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HB2    62 LYS   QD    2.50  (# noech.upl:2.50)
 &rst iat= 959,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 965, 966,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HB3    62 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat= 960,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HE-    62 LYS   QD    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 968, 969,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 965, 966,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HG+    62 LYS   QD    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 965, 966,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HA     63 ASN   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 957, 977, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   62 LYS   HB2    63 ASN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 959, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LYS   HB3    63 ASN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 960, 977, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   62 LYS   HG-    63 ASN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1, 977, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HA     64 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 957, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   62 LYS   HG+    75 PHE   HA    5.00  (# noech.upl:5.00)
 &rst iat=  -1,1144, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HA     76 THR   HA    2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat= 957,1164, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   62 LYS   HA     76 THR   MG2   4.00  (# noech.upl:4.00)
 &rst iat= 957,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HE+    76 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 968, 969,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HE-    76 THR   MG2   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 968, 969,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HG+    76 THR   HA    4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,1164, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HG+    76 THR   MG2   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   HG-    76 THR   MG2   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1= 962, 963,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   QE     99 DG    H3'   4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,1591, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1= 968, 969,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   QE     99 DG    H4'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1= 968, 969,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   62 LYS   QE     99 DG    Q5'   4.00  (# sfnoe.upl:4.0)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1= 968, 969,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1568,1569,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   63 ASN   H      63 ASN   HA    3.00  (# noenh_750.upl:3.00)
 &rst iat= 977, 979, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN   H      63 ASN   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 977, 981, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 ASN   H      63 ASN   HB3   5.00  (# noenh_750.upl:5.00)
 &rst iat= 977, 982, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN   H      63 ASN   QD2   5.00  (# noenh_750.upl:5.00)
 &rst iat= 977,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 986, 987,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   63 ASN   HA     63 ASN   HB2   3.00  (# noech.upl:3.00)
 &rst iat= 979, 981, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN   HA     63 ASN   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 979, 982, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   63 ASN   HB2    63 ASN   QD2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 986, 987,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   63 ASN   HB3    63 ASN   QD2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 982,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 986, 987,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   63 ASN   H      64 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 977, 991, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   63 ASN   HB2    64 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 981, 991, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   63 ASN   HB2    64 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat= 981,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1001,1005,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   63 ASN   HA     75 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat= 979,1142, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 PHE   H      64 PHE   HA    5.00  (# noenh_750.upl:5.00)
 &rst iat= 991, 993, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 PHE   H      64 PHE   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat= 991, 995, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 PHE   H      64 PHE   HB3   5.00  (# noenh_750.upl:5.00)
 &rst iat= 991, 996, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   64 PHE   H      64 PHE   HD    3.00  (# noenh_750.upl:3.00,noenh_750.upl:5.00)
 &rst iat= 991,  -1, r1= 1.30, r2= 1.80, r3= 3.36, r4= 3.86,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 999,1007,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HA     64 PHE   HB2   4.00  (# noech.upl:4.00)
 &rst iat= 993, 995, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 PHE   HA     64 PHE   HB3   3.00  (# noech.upl:3.00)
 &rst iat= 993, 996, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 PHE   HA     64 PHE   HD    4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 999,1007,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HA     64 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat= 993,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1001,1005,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HB2    64 PHE   HD    4.00  (# aromatic_750.upl:4.00)
 &rst iat= 995,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 999,1007,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HB3    64 PHE   HD    4.00  (# aromatic_750.upl:4.00)
 &rst iat= 996,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 999,1007,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HA     65 THR   H     3.00  (# noenh_750.upl:3.00)
 &rst iat= 993,1011, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   64 PHE   HB3    65 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 996,1011, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 PHE   H      75 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat= 991,1142, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   64 PHE   HD     77 THR   HA    4.00  (# noech_750.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 999,1007,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HE     77 THR   HA    4.00  (# noech_750.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1,1178, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1001,1005,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HD     78 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1= 999,1007,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HE     78 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1190, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=1001,1005,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HD     81 MET   ME    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1= 999,1007,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   64 PHE   HE     81 MET   ME    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.36, r4= 6.86,
 igr1=1001,1005,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   H      65 THR   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1011,1013, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   65 THR   H      65 THR   HB    4.00  (# noenh_750.upl:4.00)
 &rst iat=1011,1015, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   65 THR   H      65 THR   MG2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1011,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   HA     65 THR   HB    3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1013,1015, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   65 THR   HA     65 THR   MG2   3.00  (# noech.upl:3.00)
 &rst iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   HB     65 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   HA     66 CYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1013,1025, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   65 THR   HB     66 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1015,1025, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 THR   MG2    66 CYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1025, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    67 ASP   HA    4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,1037, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    67 ASP   HB-   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1039,1040,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    72 ASP   HA    4.00  (# noech.upl:4.00)
 &rst iat=  -1,1089, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    72 ASP   HB2   4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,1091, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    72 ASP   HB3   5.00  (# noech_750.upl:5.00)
 &rst iat=  -1,1092, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   HA     74 ARG   HA    3.00  (# noech.upl:3.00)
 &rst iat=1013,1120, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   65 THR   HA     74 ARG   HG+   4.00  (# noech.upl:4.00)
 &rst iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   HA     74 ARG   HG-   4.00  (# noech.upl:4.00)
 &rst iat=1013,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   HB     74 ARG   HA    5.00  (# noech_750.upl:5.00)
 &rst iat=1015,1120, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   65 THR   HB     74 ARG   HG+   5.00  (# noech_750.upl:5.00)
 &rst iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   HB     74 ARG   HG-   5.00  (# noech_750.upl:5.00)
 &rst iat=1015,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    74 ARG   HA    4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,1120, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    74 ARG   HD+   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    74 ARG   HD-   4.00  (# noech.upl:4.00,noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    74 ARG   HG+   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   MG2    74 ARG   HG-   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   65 THR   HA     75 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1013,1142, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 CYS   H      66 CYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1025,1027, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 CYS   H      66 CYS   QB    3.00  (# noenh_750.upl:3.00)
 &rst iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1029,1030,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   66 CYS   HA     66 CYS   QB    4.00  (# noech.upl:4.00)
 &rst iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1029,1030,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   66 CYS   HA     67 ASP   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1027,1035, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   66 CYS   HA     67 ASP   HB-   5.00  (# noech.upl:5.00)
 &rst iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1039,1040,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   66 CYS   QB     67 ASP   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,1035, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1029,1030,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   66 CYS   H      74 ARG   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1025,1120, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   66 CYS   H      75 PHE   HE    5.00  (# noenh_750.upl:5.00)
 &rst iat=1025,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1152,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   66 CYS   QB     75 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1029,1030,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1152,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   66 CYS   HA     81 MET   ME    5.00  (# noech.upl:5.00)
 &rst iat=1027,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   66 CYS   QB     81 MET   QG    5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.98, r4= 6.48,
 igr1=1029,1030,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1243,1243,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   67 ASP   H      67 ASP   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1035,1037, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 ASP   H      67 ASP   HB+   4.00  (# noenh_750.upl:4.00)
 &rst iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1039,1040,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   67 ASP   H      67 ASP   HB-   4.00  (# noenh_750.upl:4.00)
 &rst iat=1035,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1039,1040,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   67 ASP   HA     67 ASP   HB+   3.00  (# noech.upl:3.00)
 &rst iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1039,1040,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   67 ASP   HA     67 ASP   HB-   4.00  (# noech.upl:4.00)
 &rst iat=1037,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1039,1040,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   67 ASP   H      68 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1035,1047, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 ASP   HA     68 SER   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1037,1047, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   67 ASP   HB+    85 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1039,1040,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1326,1330,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   68 SER   H      68 SER   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1047,1049, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 SER   H      68 SER   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1047,1051, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 SER   H      68 SER   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat=1047,1052, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 SER   HA     68 SER   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1049,1051, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 SER   HA     68 SER   HB3   4.00  (# noech.upl:4.00)
 &rst iat=1049,1052, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 SER   HA     69 ASP   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1049,1058, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   68 SER   HB2    69 ASP   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1051,1058, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   68 SER   HB3    71 CYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1052,1077, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 SER   HB3    71 CYS   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1052,1081, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 SER   HB3    71 CYS   HB3   4.00  (# noech.upl:4.00)
 &rst iat=1052,1082, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   68 SER   HB2    85 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat=1051,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1326,1330,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   68 SER   HB3    85 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat=1052,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1326,1330,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   69 ASP   H      69 ASP   HB+   4.00  (# noenh_750.upl:4.00)
 &rst iat=1058,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1062,1063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   69 ASP   HA     69 ASP   HB+   3.00  (# noech.upl:3.00)
 &rst iat=1060,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1062,1063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   69 ASP   HA     70 GLY   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1060,1070, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   70 GLY   H      70 GLY   HA-   4.00  (# noenh_750.upl:4.00)
 &rst iat=1070,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1072,1073,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   70 GLY   HA+    71 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1072,1073,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   70 GLY   HA-    71 CYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,1077, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1072,1073,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   71 CYS   H      71 CYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1077,1079, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   71 CYS   H      71 CYS   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat=1077,1081, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   71 CYS   H      71 CYS   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat=1077,1082, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   71 CYS   HA     71 CYS   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1079,1081, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   71 CYS   H      72 ASP   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1077,1087, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   71 CYS   HA     72 ASP   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1079,1087, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   71 CYS   HB3    72 ASP   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1082,1087, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   71 CYS   HA     73 LEU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1079,1099, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   72 ASP   H      72 ASP   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1087,1091, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 ASP   H      72 ASP   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat=1087,1092, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 ASP   HA     72 ASP   HB2   3.00  (# noech.upl:3.00)
 &rst iat=1089,1091, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   72 ASP   HA     72 ASP   HB3   3.00  (# noech.upl:3.00)
 &rst iat=1089,1092, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   72 ASP   H      73 LEU   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1087,1099, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   72 ASP   H      73 LEU   MDY   5.00  (# noenh_750.upl:5.00)
 &rst iat=1087,  -1, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   72 ASP   HA     73 LEU   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1089,1099, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 LEU   H      73 LEU   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1099,1101, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   73 LEU   H      73 LEU   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat=1099,1103, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   73 LEU   H      73 LEU   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat=1099,1104, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   73 LEU   H      73 LEU   HG    4.00  (# noenh_750.upl:4.00)
 &rst iat=1099,1106, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   73 LEU   H      73 LEU   MDY   4.00  (# noenh_750.upl:4.00)
 &rst iat=1099,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HA     73 LEU   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1101,1103, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   73 LEU   HA     73 LEU   HB3   3.00  (# noech.upl:3.00)
 &rst iat=1101,1104, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   73 LEU   HA     73 LEU   HG    3.00  (# noech.upl:3.00)
 &rst iat=1101,1106, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   73 LEU   HA     73 LEU   MDX   4.00  (# noech.upl:4.00)
 &rst iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HA     73 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat=1101,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HB2    73 LEU   HG    2.50  (# noech.upl:2.50)
 &rst iat=1103,1106, r1= 1.30, r2= 1.80, r3= 2.50, r4= 3.00,  &end
#
#   73 LEU   HB2    73 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HB2    73 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HB3    73 LEU   HG    4.00  (# noech.upl:4.00)
 &rst iat=1104,1106, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   73 LEU   HB3    73 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat=1104,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HB3    73 LEU   MDY   3.00  (# noech.upl:3.00)
 &rst iat=1104,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HG     73 LEU   MDX   3.00  (# noech.upl:3.00)
 &rst iat=1106,  -1, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HG     73 LEU   MDY   2.50  (# noech.upl:2.50)
 &rst iat=1106,  -1, r1= 1.30, r2= 1.80, r3= 3.12, r4= 3.62,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   H      74 ARG   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1099,1118, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   73 LEU   HA     74 ARG   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1101,1118, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   73 LEU   HB3    74 ARG   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1104,1118, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   73 LEU   MDY    74 ARG   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1118, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   HB2    75 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat=1103,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1152,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDX    75 PHE   HE    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.96, r4= 7.46,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=1152,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDX    75 PHE   HZ    4.00  (# aromatic_750.upl:4.00)
 &rst iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDY    75 PHE   HZ    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,1154, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDX    84 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,1312, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDX    84 HIS   HE1   3.00  (# noech.upl:3.00,aromatic_750.upl:4.00)
 &rst iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 3.75, r4= 4.25,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDY    84 HIS   HE1   5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,1309, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDX    98 DG    H4'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1538, r1= 1.30, r2= 1.80, r3= 6.25, r4= 6.75,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDX    98 DG    Q5'   4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=1535,1536,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   73 LEU   MDY    98 DG    Q5'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.78, r4= 7.28,
 igr1=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,
 igr2=1535,1536,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   H      74 ARG   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1118,1120, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 ARG   H      74 ARG   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1118,1122, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 ARG   H      74 ARG   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat=1118,1123, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 ARG   H      74 ARG   HG-   4.00  (# noenh_750.upl:4.00)
 &rst iat=1118,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HA     74 ARG   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1120,1122, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   74 ARG   HA     74 ARG   HB3   3.00  (# noech.upl:3.00)
 &rst iat=1120,1123, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   74 ARG   HA     74 ARG   HG+   3.00  (# noech.upl:3.00)
 &rst iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HA     74 ARG   HG-   4.00  (# noech.upl:4.00)
 &rst iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HB2    74 ARG   HD+   5.00  (# noech.upl:5.00)
 &rst iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HB2    74 ARG   HD-   5.00  (# noech.upl:5.00)
 &rst iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HB2    74 ARG   HG-   2.50  (# noech.upl:2.50)
 &rst iat=1122,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HB3    74 ARG   HD+   3.00  (# noech.upl:3.00)
 &rst iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HB3    74 ARG   HD-   4.00  (# noech.upl:4.00)
 &rst iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HB3    74 ARG   HG+   2.50  (# noech.upl:2.50)
 &rst iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HB3    74 ARG   HG-   2.50  (# noech.upl:2.50)
 &rst iat=1123,  -1, r1= 1.30, r2= 1.80, r3= 2.79, r4= 3.29,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HD+    74 ARG   HG+   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HD+    74 ARG   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HD-    74 ARG   HG+   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HD-    74 ARG   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1128,1129,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HA     75 PHE   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1120,1142, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   74 ARG   HA     75 PHE   HD    5.00  (# aromatic_750.upl:5.00)
 &rst iat=1120,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   74 ARG   HB2    75 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1122,1142, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 ARG   HB2    75 PHE   HA    5.00  (# noech.upl:5.00)
 &rst iat=1122,1144, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 ARG   HB3    75 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1123,1142, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   74 ARG   HG-    75 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,1142, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1125,1126,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   H      75 PHE   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1142,1146, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 PHE   H      75 PHE   HD    4.00  (# noenh_750.upl:4.00)
 &rst iat=1142,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HA     75 PHE   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1144,1146, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 PHE   HA     75 PHE   HB3   4.00  (# noech.upl:4.00)
 &rst iat=1144,1147, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 PHE   HA     75 PHE   HD    5.00  (# aromatic_750.upl:5.00)
 &rst iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HB2    75 PHE   HD    4.00  (# aromatic_750.upl:4.00)
 &rst iat=1146,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HB3    75 PHE   HD    4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HA     76 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1144,1162, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 PHE   HA     76 THR   MG2   5.00  (# noech_750.upl:5.00)
 &rst iat=1144,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HB2    77 THR   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1146,1176, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   75 PHE   HB3    77 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1147,1176, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 PHE   HB3    80 ASN   QB    4.00  (# noech_750.upl:4.00)
 &rst iat=1147,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HD     80 ASN   QB    4.00  (# noech_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HB2    81 MET   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1146,1236, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 PHE   HB3    81 MET   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1147,1236, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   75 PHE   HD     81 MET   HA    5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,1238, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HD     98 DG    H2'2  5.00  (# sfnoe.upl:5.0)
 &rst iat=  -1,1561, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HD     98 DG    H3'   3.50  (# sfnoe.upl:3.50)
 &rst iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HD     98 DG    H4'   5.00  (# sfnoe.upl:5.0)
 &rst iat=  -1,1538, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1150,1158,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HE     98 DG    H2'2  6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,1561, r1= 1.30, r2= 1.80, r3= 6.69, r4= 7.19,
 igr1=1152,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HE     98 DG    H3'   3.50  (# sfnoe.upl:3.50)
 &rst iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 3.92, r4= 4.42,
 igr1=1152,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HE     98 DG    Q5'   5.00  (# sfnoe.upl:5.0)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1152,1156,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1535,1536,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   75 PHE   HZ     98 DG    H3'   6.00  (# sfnoe.upl:6.0)
 &rst iat=1154,1558, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   76 THR   H      76 THR   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1162,1164, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 THR   H      76 THR   MG2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1162,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   HA     76 THR   HB    3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1164,1166, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   76 THR   HA     76 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   HB     76 THR   MG2   2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   H      77 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1162,1176, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 THR   HA     77 THR   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1164,1176, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   76 THR   HB     77 THR   MG2   3.00  (# noech.upl:3.00)
 &rst iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   MG2    77 THR   MG2   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   HB     99 DG    H3'   5.00  (# sfnoe.upl:5.00)
 &rst iat=1166,1591, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   76 THR   MG2    99 DG    H1'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1574, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   MG2    99 DG    H2'1  4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,1593, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   MG2    99 DG    H2'2  4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,1594, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   MG2    99 DG    H3'   3.50  (# sfnoe.upl:3.50)
 &rst iat=  -1,1591, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   MG2    99 DG    H4'   5.00  (# sfnoe.upl:5.0)
 &rst iat=  -1,1571, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   MG2    99 DG    H8    5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1577, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   MG2    99 DG    Q5'   3.50  (# sfnoe.upl:3.5)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1568,1569,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   76 THR   MG2   100 DA    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   H      77 THR   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1176,1178, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 THR   H      77 THR   MG2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1176,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   HA     77 THR   HB    3.00  (# noech.upl:3.00)
 &rst iat=1178,1180, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 THR   HA     77 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1178,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   HB     77 THR   MG2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1180,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   HA     78 LYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1178,1190, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   77 THR   HB     78 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1180,1190, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 THR   HB     79 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1180,1212, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   77 THR   MG2    79 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,1212, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   MG2    79 ALA   MB    5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.44, r4= 6.94,
 igr1=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   H      80 ASN   QB    4.00  (# noenh_750.upl:4.00)
 &rst iat=1176,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   MG2   100 DA    H2'1  6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1625, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   MG2   100 DA    H2'2  6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1626, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   77 THR   MG2   100 DA    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1610, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1182,1183,1184,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   H      78 LYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1190,1192, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 LYS   H      78 LYS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1190,1194, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 LYS   H      78 LYS   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat=1190,1195, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 LYS   HA     78 LYS   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1192,1194, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 LYS   HA     78 LYS   HB3   3.00  (# noech.upl:3.00)
 &rst iat=1192,1195, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   78 LYS   HA     78 LYS   HG+   4.00  (# noech.upl:4.00)
 &rst iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HA     78 LYS   HG-   4.00  (# noech.upl:4.00)
 &rst iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HB3    78 LYS   HD-   3.00  (# noech.upl:3.00)
 &rst iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1200,1201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HB3    78 LYS   HG+   3.00  (# noech.upl:3.00)
 &rst iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HD+    78 LYS   HE-   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1200,1201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1203,1204,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HD+    78 LYS   HG+   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1200,1201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HD-    78 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1200,1201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HE+    78 LYS   HG+   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1203,1204,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HE-    78 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1203,1204,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   H      79 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1190,1212, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 LYS   HB2    79 ALA   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1194,1212, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 LYS   HB3    79 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1195,1212, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   78 LYS   HG-    79 ALA   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,1212, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HA     81 MET   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1192,1236, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   78 LYS   HA     81 MET   HB+   4.00  (# noech.upl:4.00)
 &rst iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1240,1241,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HA     81 MET   HB-   5.00  (# noech.upl:5.00)
 &rst iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1240,1241,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HA     81 MET   ME    4.00  (# noech.upl:4.00)
 &rst iat=1192,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HB3    81 MET   ME    3.00  (# noech.upl:3.00)
 &rst iat=1195,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HD+    81 MET   ME    4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1200,1201,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HG+    81 MET   ME    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1197,1198,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   78 LYS   HA     82 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1192,1255, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 ALA   H      79 ALA   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1212,1214, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 ALA   H      79 ALA   MB    3.00  (# noenh_750.upl:3.00)
 &rst iat=1212,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   HA     79 ALA   MB    2.50  (# noech.upl:2.50)
 &rst iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 2.96, r4= 3.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   H      80 ASN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1212,1222, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 ALA   MB     80 ASN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1222, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   HA     82 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1214,1255, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   79 ALA   HA     82 LYS   HG+   5.00  (# noech_750.upl:5.00)
 &rst iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   HA     82 LYS   QB    3.00  (# noech.upl:3.00)
 &rst iat=1214,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB     82 LYS   QB    4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    118 DC    H1'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,2179, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    118 DC    H2'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,2195, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    118 DC    H2'2  4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,2196, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    118 DC    H3'   4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    118 DC    H4'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,2176, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    118 DC    H5    4.00  (# sfnoe.upl:4.00)
 &rst iat=  -1,2184, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    118 DC    Q5'   6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2173,2174,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   HA    119 DC    H5    5.00  (# sfnoe.upl:5.00)
 &rst iat=1214,2214, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   79 ALA   HA    119 DC    H6    6.00  (# sfnoe.upl:6.00)
 &rst iat=1214,2212, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   79 ALA   MB    119 DC    H2'1  5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,2225, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    119 DC    H3'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,2223, r1= 1.30, r2= 1.80, r3= 6.74, r4= 7.24,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    119 DC    H5    3.50  (# sfnoe.upl:3.50)
 &rst iat=  -1,2214, r1= 1.30, r2= 1.80, r3= 4.08, r4= 4.58,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   79 ALA   MB    119 DC    Q5'   6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.31, r4= 7.81,
 igr1=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2203,2204,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   80 ASN   H      80 ASN   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1222,1224, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 ASN   H      80 ASN   QB    4.00  (# noenh_750.upl:4.00)
 &rst iat=1222,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   80 ASN   HA     80 ASN   QB    3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1224,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   80 ASN   H      81 MET   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1222,1236, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 ASN   HA     81 MET   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1224,1236, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 ASN   QB     81 MET   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1236, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   80 ASN   H      82 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1222,1255, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   80 ASN   HA     83 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1224,1277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   80 ASN   HA     83 LYS   HD-   5.00  (# noech.upl:5.00)
 &rst iat=1224,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1287,1288,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   80 ASN   HA     83 LYS   QB    3.00  (# noech.upl:3.00)
 &rst iat=1224,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1281,1282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   80 ASN   QB     98 DG    H1'   6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,1541, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   80 ASN   QB     98 DG    H3'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1558, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   80 ASN   QB     99 DG    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1577, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1226,1227,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   H      81 MET   HA    3.00  (# noenh_750.upl:3.00)
 &rst iat=1236,1238, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   81 MET   H      81 MET   HB+   4.00  (# noenh_750.upl:4.00)
 &rst iat=1236,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1240,1241,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   H      81 MET   ME    5.00  (# noenh_750.upl:5.00)
 &rst iat=1236,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   HA     81 MET   HB+   3.00  (# noech.upl:3.00)
 &rst iat=1238,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1240,1241,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   HA     81 MET   ME    5.00  (# noech.upl:5.00)
 &rst iat=1238,  -1, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   HB+    81 MET   ME    4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1=1240,1241,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   H      82 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1236,1255, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 MET   HA     82 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1238,1255, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   81 MET   HB-    82 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1255, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1240,1241,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   ME     82 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,1255, r1= 1.30, r2= 1.80, r3= 5.69, r4= 6.19,
 igr1=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   ME     82 LYS   HG+   3.00  (# noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   ME     82 LYS   HG-   5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   ME     82 LYS   QB    5.00  (# noech.upl:5.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.21, r4= 6.71,
 igr1=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   ME     82 LYS   QD    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1265,1266,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   81 MET   ME     82 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1249,1250,1251,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1268,1269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   H      82 LYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1255,1257, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   82 LYS   H      82 LYS   HG-   4.00  (# noenh_750.upl:4.00)
 &rst iat=1255,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   H      82 LYS   QB    3.00  (# noenh_750.upl:3.00)
 &rst iat=1255,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   HA     82 LYS   HG+   4.00  (# noech.upl:5.00,noech_750.upl:4.00)
 &rst iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   HA     82 LYS   QD    3.00  (# noech.upl:3.00)
 &rst iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1265,1266,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   HG+    82 LYS   QB    2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   HG+    82 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1268,1269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   HG-    82 LYS   QB    2.50  (# noech.upl:2.50,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   HG-    82 LYS   QE    3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1268,1269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   QB     82 LYS   QD    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1265,1266,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   QD     82 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1265,1266,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1268,1269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   H      83 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1255,1277, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   82 LYS   HA     83 LYS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1257,1277, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS   QB     83 LYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=  -1,1277, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=1259,1260,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   HA     84 HIS   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1257,1299, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS   HA     85 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1257,1316, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   82 LYS   HA     85 PHE   QB    3.00  (# noech.upl:3.00)
 &rst iat=1257,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1320,1321,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   82 LYS   HA     86 ASN   HB2   5.00  (# noech_750.upl:5.00)
 &rst iat=1257,1340, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   82 LYS   QE    118 DC    H3'   5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,2193, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1268,1269,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   H      83 LYS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1277,1279, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 LYS   H      83 LYS   HG+   4.00  (# noenh_750.upl:4.00)
 &rst iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   H      83 LYS   HG-   4.00  (# noenh_750.upl:4.00)
 &rst iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   H      83 LYS   QB    3.00  (# noenh_750.upl:3.00)
 &rst iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1281,1282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HA     83 LYS   HG+   4.00  (# noech.upl:4.00)
 &rst iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HA     83 LYS   HG-   3.00  (# noech.upl:3.00)
 &rst iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HA     83 LYS   QB    3.00  (# noech.upl:3.00)
 &rst iat=1279,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1281,1282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HD+    83 LYS   HG-   2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1287,1288,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HD+    83 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1287,1288,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HD-    83 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1287,1288,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HG+    83 LYS   QB    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1281,1282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HG+    83 LYS   QE    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HG-    83 LYS   QB    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1281,1282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HG-    83 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1284,1285,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   QB     83 LYS   QE    3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.70, r4= 4.20,
 igr1=1281,1282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   H      84 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1277,1299, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 LYS   QB     84 HIS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1299, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1281,1282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   QB     85 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=  -1,1316, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1281,1282,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   H      86 ASN   HD2+  4.00  (# noenh_750.upl:4.00)
 &rst iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1345,1346,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   H      86 ASN   HD2-  4.00  (# noenh_750.upl:4.00)
 &rst iat=1277,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1345,1346,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HA     86 ASN   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1279,1336, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   83 LYS   HA     86 ASN   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1279,1340, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 LYS   HA     86 ASN   HB3   4.00  (# noech.upl:4.00)
 &rst iat=1279,1341, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   83 LYS   QD     98 DG    H8    6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1287,1288,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   QE     98 DG    H8    5.00  (# sfnoe.upl:5.00)
 &rst iat=  -1,1544, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HD2   121 DT    H7    4.00  (# sfnoe.upl:4.00)
 &rst iat=1287,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2277,2278,2279,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   HD3   121 DT    H7    4.00  (# sfnoe.upl:4.00)
 &rst iat=1288,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2277,2278,2279,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   QE    121 DT    H6    6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,2274, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   83 LYS   QE    121 DT    H7    3.50  (# sfnoe.upl:3.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.50, r4= 5.00,
 igr1=1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2277,2278,2279,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   84 HIS   H      84 HIS   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1299,1301, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 HIS   H      84 HIS   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1299,1303, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 HIS   H      84 HIS   HB3   3.00  (# noenh_750.upl:3.00)
 &rst iat=1299,1304, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   84 HIS   H      84 HIS   HD2   5.00  (# noenh_750.upl:5.00)
 &rst iat=1299,1312, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 HIS   H      85 PHE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1299,1316, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   84 HIS   HB2    85 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1303,1316, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 HIS   HD2    85 PHE   H     5.00  (# noenh_750.upl:5.00)
 &rst iat=1312,1316, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   84 HIS   HA     87 ARG   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1301,1350, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 PHE   H      85 PHE   QB    4.00  (# noenh_750.upl:4.00)
 &rst iat=1316,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1320,1321,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   85 PHE   HA     85 PHE   HD    5.00  (# aromatic_750.upl:5.00)
 &rst iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1324,1332,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   85 PHE   HA     85 PHE   QB    3.00  (# noech.upl:3.00)
 &rst iat=1318,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1320,1321,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   85 PHE   HD     85 PHE   QB    4.00  (# noech.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.94, r4= 5.44,
 igr1=1324,1332,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1320,1321,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   85 PHE   H      86 ASN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1316,1336, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 PHE   HA     86 ASN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1318,1336, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   85 PHE   QB     86 ASN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1336, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1320,1321,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   85 PHE   HA     89 HIS   HD2   3.00  (# noech.upl:3.00,aromatic_750.upl:4.00)
 &rst iat=1318,1407, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   85 PHE   HD     90 ASN   HB3   5.00  (# aromatic_750.upl:5.00)
 &rst iat=  -1,1416, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=1324,1332,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   86 ASN   H      86 ASN   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1336,1338, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 ASN   H      86 ASN   HB2   3.00  (# noenh_750.upl:3.00)
 &rst iat=1336,1340, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ASN   HA     86 ASN   HB2   3.00  (# noech.upl:3.00)
 &rst iat=1338,1340, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ASN   HB2    86 ASN   HD2+  4.00  (# noenh_750.upl:4.00)
 &rst iat=1340,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1345,1346,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   86 ASN   HB2    86 ASN   HD2-  5.00  (# noenh_750.upl:5.00)
 &rst iat=1340,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1345,1346,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   86 ASN   H      87 ARG   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1336,1350, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 ASN   HB2    87 ARG   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1340,1350, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   86 ASN   HA     90 ASN   HB2   3.00  (# noech.upl:3.00)
 &rst iat=1338,1415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   86 ASN   HA     90 ASN   HB3   3.00  (# noech.upl:3.00)
 &rst iat=1338,1416, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   87 ARG   H      87 ARG   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1350,1352, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 ARG   H      87 ARG   HB+   4.00  (# noenh_750.upl:4.00)
 &rst iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1354,1355,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   H      87 ARG   HB-   3.00  (# noenh_750.upl:3.00)
 &rst iat=1350,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1354,1355,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HA     87 ARG   HB+   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1354,1355,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HA     87 ARG   HB-   3.00  (# noech_750.upl:3.00)
 &rst iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1354,1355,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HA     87 ARG   HD+   5.00  (# noech_750.upl:5.00)
 &rst iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1360,1361,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HA     87 ARG   HD-   5.00  (# noech_750.upl:5.00)
 &rst iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1360,1361,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HA     87 ARG   HG-   3.00  (# noech.upl:4.00,noech_750.upl:3.00)
 &rst iat=1352,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1357,1358,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HB+    87 ARG   HD-   4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1354,1355,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1360,1361,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   H      88 PHE   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1350,1374, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   87 ARG   HD+    97 DT    Q5'   6.00  (# sfnoe.upl:6.0)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1=1360,1361,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1503,1504,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HD-    97 DT    H4'   6.00  (# sfnoe.upl:6.00)
 &rst iat=  -1,1506, r1= 1.30, r2= 1.80, r3= 6.52, r4= 7.02,
 igr1=1360,1361,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HD-    97 DT    Q5'   6.00  (# sfnoe.upl:6.00,sfnoe.upl:6.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.08, r4= 7.58,
 igr1=1360,1361,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1503,1504,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   87 ARG   HD2    97 DT    H3'   4.00  (# sfnoe.upl:4.00)
 &rst iat=1360,1525, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 ARG   HD2    97 DT    H6    6.00  (# sfnoe.upl:6.00)
 &rst iat=1360,1512, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   87 ARG   HD3    97 DT    H3'   4.00  (# sfnoe.upl:4.00)
 &rst iat=1361,1525, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   87 ARG   HD3    97 DT    H6    6.00  (# sfnoe.upl:6.00)
 &rst iat=1361,1512, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,  &end
#
#   88 PHE   H      88 PHE   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1374,1378, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   88 PHE   HA     88 PHE   HB2   3.00  (# noech.upl:3.00,noech_750.upl:3.00)
 &rst iat=1376,1378, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 PHE   HA     88 PHE   HB3   3.00  (# noech.upl:3.00,noech_750.upl:4.00)
 &rst iat=1376,1379, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 PHE   HA     88 PHE   HD    4.00  (# noech.upl:4.00,noech_750.upl:4.00,aromatic_750.upl:4.00)
 &rst iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 4.48, r4= 4.98,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1382,1390,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   88 PHE   HA     88 PHE   HE    5.00  (# noech_750.upl:5.00)
 &rst iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1384,1388,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   88 PHE   HB3    88 PHE   HD    5.00  (# aromatic_750.upl:5.00)
 &rst iat=1379,  -1, r1= 1.30, r2= 1.80, r3= 5.59, r4= 6.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1382,1390,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   88 PHE   H      89 HIS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1374,1394, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   88 PHE   HA     91 ILE   HG1-  5.00  (# noech.upl:5.00)
 &rst iat=1376,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1435,1436,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   88 PHE   HD     97 DT    H3'   5.50  (# sfnoe.upl:5.50)
 &rst iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 6.14, r4= 6.64,
 igr1=1382,1390,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   88 PHE   HE     97 DT    H3'   4.50  (# sfnoe.upl:4.50)
 &rst iat=  -1,1525, r1= 1.30, r2= 1.80, r3= 5.04, r4= 5.54,
 igr1=1384,1388,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   88 PHE   HE     97 DT    Q5'   5.00  (# sfnoe.upl:5.0)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.12, r4= 6.62,
 igr1=1384,1388,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1503,1504,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   88 PHE   HZ     97 DT    H3'   3.50  (# sfnoe.upl:3.50)
 &rst iat=1386,1525, r1= 1.30, r2= 1.80, r3= 3.50, r4= 4.00,  &end
#
#   88 PHE   HZ     97 DT    Q5'   5.00  (# sfnoe.upl:5.0)
 &rst iat=1386,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1503,1504,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   89 HIS   H      89 HIS   HA    5.00  (# noenh_750.upl:5.00)
 &rst iat=1394,1396, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 HIS   HA     89 HIS   HB2   4.00  (# noech.upl:4.00)
 &rst iat=1396,1398, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 HIS   HA     89 HIS   HB3   3.00  (# noech.upl:3.00)
 &rst iat=1396,1399, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   89 HIS   HB2    89 HIS   HD2   5.00  (# aromatic_750.upl:5.00)
 &rst iat=1398,1407, r1= 1.30, r2= 1.80, r3= 5.00, r4= 5.50,  &end
#
#   89 HIS   H      90 ASN   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1394,1411, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   89 HIS   H      91 ILE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1394,1425, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 ASN   H      90 ASN   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1411,1413, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 ASN   H      90 ASN   HB2   4.00  (# noenh_750.upl:4.00)
 &rst iat=1411,1415, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 ASN   H      90 ASN   HB3   4.00  (# noenh_750.upl:4.00)
 &rst iat=1411,1416, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 ASN   HA     90 ASN   HB2   3.00  (# noech.upl:3.00)
 &rst iat=1413,1415, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 ASN   HA     90 ASN   HB3   3.00  (# noech.upl:3.00)
 &rst iat=1413,1416, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   90 ASN   HB2    90 ASN   HD2+  4.00  (# noenh_750.upl:4.00)
 &rst iat=1415,  -1, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1420,1421,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   90 ASN   HB2    90 ASN   HD2-  5.00  (# noenh_750.upl:5.00)
 &rst iat=1415,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1420,1421,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   90 ASN   HB3    90 ASN   HD2-  5.00  (# noenh_750.upl:5.00)
 &rst iat=1416,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1420,1421,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   90 ASN   HA     91 ILE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1413,1425, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   90 ASN   HD2+   91 ILE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1425, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1420,1421,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   90 ASN   HD2-   91 ILE   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=  -1,1425, r1= 1.30, r2= 1.80, r3= 4.41, r4= 4.91,
 igr1=1420,1421,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   91 ILE   H      91 ILE   HA    4.00  (# noenh_750.upl:4.00)
 &rst iat=1425,1427, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 ILE   H      91 ILE   HB    4.00  (# noenh_750.upl:4.00)
 &rst iat=1425,1429, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 ILE   HA     91 ILE   HB    4.00  (# noech.upl:4.00)
 &rst iat=1427,1429, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   91 ILE   HA     91 ILE   HG1-  5.00  (# noech.upl:5.00)
 &rst iat=1427,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1435,1436,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   91 ILE   HA     91 ILE   MG2   4.00  (# noech.upl:4.00)
 &rst iat=1427,  -1, r1= 1.30, r2= 1.80, r3= 4.62, r4= 5.12,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1431,1432,1433,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   91 ILE   HB     91 ILE   HG1-  5.00  (# noech.upl:5.00)
 &rst iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1435,1436,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   91 ILE   HB     91 ILE   MG2   3.00  (# noech.upl:3.00)
 &rst iat=1429,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1431,1432,1433,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   91 ILE   HG1+   91 ILE   MG2   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1435,1436,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1431,1432,1433,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   91 ILE   HG1-   91 ILE   MG2   3.00  (# noech.upl:3.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.91, r4= 4.41,
 igr1=1435,1436,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1431,1432,1433,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   91 ILE   H      92 LYS   H     3.00  (# noenh_750.upl:3.00)
 &rst iat=1425,1444, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#   91 ILE   HA     92 LYS   H     4.00  (# noenh_750.upl:4.00)
 &rst iat=1427,1444, r1= 1.30, r2= 1.80, r3= 4.00, r4= 4.50,  &end
#
#   92 LYS   HA     92 LYS   QD    3.00  (# noech.upl:3.00)
 &rst iat=1446,  -1, r1= 1.30, r2= 1.80, r3= 3.33, r4= 3.83,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1454,1455,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   92 LYS   HB+    92 LYS   QG    4.00  (# noech.upl:4.00)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.86, r4= 5.36,
 igr1=1448,1449,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1451,1452,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   92 LYS   HB-    92 LYS   QG    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1448,1449,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1451,1452,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   92 LYS   QD     92 LYS   QG    2.50  (# noech.upl:2.50)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.11, r4= 3.61,
 igr1=1454,1455,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1451,1452,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   96 DT5   H1'    96 DT5   H2'1  2.00  4.14  (# DNA_30+60.ual:2.00-4.14)
 &rst iat=1477,1495, r1= 1.50, r2= 2.00, r3= 4.14, r4= 4.64, 
      rk2=20.0, rk3=20.0, ir6=1,
 &end
#
#   96 DT5   H1'    96 DT5   H2'2  1.71  3.53  (# DNA_30+60.ual:1.71-3.53)
 &rst iat=1477,1496, r1= 1.21, r2= 1.71, r3= 3.53, r4= 4.03,  &end
#
#   96 DT5   H1'    96 DT5   H4'   2.27  4.71  (# DNA_30+60.ual:2.27-4.71)
 &rst iat=1477,1474, r1= 1.77, r2= 2.27, r3= 4.71, r4= 5.21,  &end
#
#   96 DT5   H2'1   96 DT5   H6    1.47  3.05  (# DNA_30+60.ual:1.47-3.05,DNA_120.ual:3.00-5.00)
 &rst iat=1495,1480, r1= 0.97, r2= 1.47, r3= 3.05, r4= 3.55,  &end
#
#   96 DT5   H2'2   96 DT5   H6    1.91  3.97  (# DNA_30+60.ual:1.91-3.97,DNA_120.ual:3.00-5.00)
 &rst iat=1496,1480, r1= 1.41, r2= 1.91, r3= 3.97, r4= 4.47,  &end
#
#   96 DT5   H4'    96 DT5   H6    2.55  5.29  (# DNA_30+60.ual:2.55-5.29,DNA_120.ual:3.00-5.00)
 &rst iat=1474,1480, r1= 2.05, r2= 2.55, r3= 5.29, r4= 5.79,  &end
#
#   96 DT5   H6     96 DT5   H7    1.83  3.03  (# DNA_30+60.ual:1.83-3.03,DNA_120.ual:3.00-5.00)
 &rst iat=1480,  -1, r1= 1.33, r2= 1.83, r3= 3.55, r4= 4.05,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1483,1484,1485,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   96 DT5   H6     96 DT5   Q5'   2.30  4.78  (# DNA_30+60.ual:2.30-4.78)
 &rst iat=1480,  -1, r1= 1.80, r2= 2.30, r3= 5.24, r4= 5.74,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1471,1472,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   96 DT5   H2'1   97 DT    H6    1.67  3.49  (# DNA_30+60.ual:1.67-3.49,DNA_120.ual:3.00-5.00)
 &rst iat=1495,1512, r1= 1.17, r2= 1.67, r3= 3.49, r4= 3.99,  &end
#
#   96 DT5   H2'2   97 DT    H6    2.16  4.48  (# DNA_30+60.ual:2.16-4.48,DNA_120.ual:3.00-5.00)
 &rst iat=1496,1512, r1= 1.66, r2= 2.16, r3= 4.48, r4= 4.98,  &end
#
#   96 DT5   H6     97 DT    H7    1.80  3.00  (# DNA_30+60.ual:1.80-3.00,DNA_120.ual:3.00-5.00)
 &rst iat=1480,  -1, r1= 1.30, r2= 1.80, r3= 3.52, r4= 4.02,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1515,1516,1517,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   97 DT    H1'    97 DT    H2'1  2.32  4.82  (# DNA_30+60.ual:2.32-4.82)
 &rst iat=1509,1527, r1= 1.82, r2= 2.32, r3= 4.82, r4= 5.32,  &end
#
#   97 DT    H1'    97 DT    H2'2  1.67  3.49  (# DNA_30+60.ual:1.67-3.49)
 &rst iat=1509,1528, r1= 1.17, r2= 1.67, r3= 3.49, r4= 3.99,  &end
#
#   97 DT    H1'    97 DT    H4'   2.29  4.77  (# DNA_30+60.ual:2.29-4.77)
 &rst iat=1509,1506, r1= 1.79, r2= 2.29, r3= 4.77, r4= 5.27,  &end
#
#   97 DT    H1'    97 DT    H6    2.24  3.74  (# DNA_30+60.ual:2.24-3.74,DNA_120.ual:3.00-5.00)
 &rst iat=1509,1512, r1= 1.74, r2= 2.24, r3= 3.74, r4= 4.24,  &end
#
#   97 DT    H2'1   97 DT    H3'   1.71  3.53  (# DNA_30+60.ual:1.71-3.53)
 &rst iat=1527,1525, r1= 1.21, r2= 1.71, r3= 3.53, r4= 4.03,  &end
#
#   97 DT    H2'1   97 DT    H6    1.58  3.26  (# DNA_30+60.ual:1.58-3.26,DNA_120.ual:3.00-5.00)
 &rst iat=1527,1512, r1= 1.08, r2= 1.58, r3= 3.26, r4= 3.76,  &end
#
#   97 DT    H3'    97 DT    H6    1.76  3.66  (# DNA_30+60.ual:1.76-3.66,DNA_120.ual:3.00-5.00)
 &rst iat=1525,1512, r1= 1.26, r2= 1.76, r3= 3.66, r4= 4.16,  &end
#
#   97 DT    H6     97 DT    H7    1.83  3.03  (# DNA_30+60.ual:1.83-3.03,DNA_120.ual:3.00-5.00)
 &rst iat=1512,  -1, r1= 1.33, r2= 1.83, r3= 3.55, r4= 4.05,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1515,1516,1517,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   97 DT    H1'    98 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1509,1544, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   97 DT    H2'1   98 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1527,1544, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   97 DT    H2'2   98 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1528,1544, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   97 DT    H3'    98 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1525,1544, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   97 DT    H1'   125 DA3   H2    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1509,2407, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   98 DG    H1'    98 DG    H2'2  2.11  3.51  (# DNA_30+60.ual:2.11-3.51)
 &rst iat=1541,1561, r1= 1.61, r2= 2.11, r3= 3.51, r4= 4.01,  &end
#
#   98 DG    H1'    98 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1541,1544, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   98 DG    H2'1   98 DG    H3'   2.00  3.34  (# DNA_30+60.ual:2.00-3.34)
 &rst iat=1560,1558, r1= 1.50, r2= 2.00, r3= 3.34, r4= 3.84,  &end
#
#   98 DG    H2'1   98 DG    H8    2.16  3.60  (# DNA_30+60.ual:2.16-3.60,DNA_120.ual:3.00-5.00)
 &rst iat=1560,1544, r1= 1.66, r2= 2.16, r3= 3.60, r4= 4.10,  &end
#
#   98 DG    H2'2   98 DG    H3'   2.21  3.67  (# DNA_30+60.ual:2.21-3.67)
 &rst iat=1561,1558, r1= 1.71, r2= 2.21, r3= 3.67, r4= 4.17,  &end
#
#   98 DG    H2'2   98 DG    H8    2.88  4.81  (# DNA_30+60.ual:2.88-4.81,DNA_120.ual:3.00-5.00)
 &rst iat=1561,1544, r1= 2.38, r2= 2.88, r3= 4.81, r4= 5.31,  &end
#
#   98 DG    H3'    98 DG    H4'   2.25  3.75  (# DNA_30+60.ual:2.25-3.75)
 &rst iat=1558,1538, r1= 1.75, r2= 2.25, r3= 3.75, r4= 4.25,  &end
#
#   98 DG    H3'    98 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1558,1544, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   98 DG    H1'    99 DG    H8    2.58  3.50  (# DNA_30+60.ual:2.58-3.50,DNA_120.ual:3.00-5.00)
 &rst iat=1541,1577, r1= 2.08, r2= 2.58, r3= 3.50, r4= 4.00,  &end
#
#   98 DG    H2'1   99 DG    H8    2.56  4.26  (# DNA_30+60.ual:2.56-4.26,DNA_120.ual:3.00-5.00)
 &rst iat=1560,1577, r1= 2.06, r2= 2.56, r3= 4.26, r4= 4.76,  &end
#
#   99 DG    H1'    99 DG    H2'2  2.09  3.49  (# DNA_30+60.ual:2.09-3.49)
 &rst iat=1574,1594, r1= 1.59, r2= 2.09, r3= 3.49, r4= 3.99,  &end
#
#   99 DG    H1'    99 DG    H4'   2.86  4.76  (# DNA_30+60.ual:2.86-4.76)
 &rst iat=1574,1571, r1= 2.36, r2= 2.86, r3= 4.76, r4= 5.26,  &end
#
#   99 DG    H1'    99 DG    H8    2.97  4.01  (# DNA_30+60.ual:2.97-4.01,DNA_120.ual:3.00-5.00)
 &rst iat=1574,1577, r1= 2.47, r2= 2.97, r3= 4.01, r4= 4.51,  &end
#
#   99 DG    H2'1   99 DG    H3'   1.84  3.08  (# DNA_30+60.ual:1.84-3.08)
 &rst iat=1593,1591, r1= 1.34, r2= 1.84, r3= 3.08, r4= 3.58,  &end
#
#   99 DG    H3'    99 DG    H8    3.00  5.00  (# DNA_30+60.ual:3.40-5.66,DNA_120.ual:3.00-5.00)
 &rst iat=1591,1577, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   99 DG    H4'    99 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1571,1577, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   99 DG    H8     99 DG    Q5'   3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1577,  -1, r1= 2.50, r2= 3.00, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1568,1569,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   99 DG    H1'   100 DA    H8    3.00  5.00  (# DNA_30+60.ual:3.52-4.76,DNA_120.ual:3.00-5.00)
 &rst iat=1574,1610, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   99 DG    H2'2  100 DA    H8    1.98  3.28  (# DNA_30+60.ual:1.98-3.28,DNA_120.ual:3.00-5.00)
 &rst iat=1594,1610, r1= 1.48, r2= 1.98, r3= 3.28, r4= 3.78,  &end
#
#   99 DG    H3'   100 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1591,1610, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  100 DA    H1'   100 DA    H2'2  1.99  3.33  (# DNA_30+60.ual:1.99-3.33)
 &rst iat=1607,1626, r1= 1.49, r2= 1.99, r3= 3.33, r4= 3.83,  &end
#
#  100 DA    H1'   100 DA    H8    3.00  5.00  (# DNA_30+60.ual:3.86-5.22,DNA_120.ual:3.00-5.00)
 &rst iat=1607,1610, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  100 DA    H2'1  100 DA    H3'   1.92  3.20  (# DNA_30+60.ual:1.92-3.20)
 &rst iat=1625,1623, r1= 1.42, r2= 1.92, r3= 3.20, r4= 3.70,  &end
#
#  100 DA    H2'2  100 DA    H8    2.17  3.62  (# DNA_30+60.ual:2.17-3.62,DNA_120.ual:3.00-5.00)
 &rst iat=1626,1610, r1= 1.67, r2= 2.17, r3= 3.62, r4= 4.12,  &end
#
#  100 DA    H3'   100 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1623,1610, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  100 DA    H1'   101 DT    H6    2.90  3.92  (# DNA_30+60.ual:2.90-3.92,DNA_120.ual:3.00-5.00)
 &rst iat=1607,1642, r1= 2.40, r2= 2.90, r3= 3.92, r4= 4.42,  &end
#
#  100 DA    H2    101 DT    H1'   3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1619,1639, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  100 DA    H2'1  101 DT    H6    2.72  4.52  (# DNA_30+60.ual:2.72-4.52,DNA_120.ual:3.00-5.00)
 &rst iat=1625,1642, r1= 2.22, r2= 2.72, r3= 4.52, r4= 5.02,  &end
#
#  100 DA    H2'2  101 DT    H6    1.80  3.00  (# DNA_30+60.ual:1.80-3.00,DNA_120.ual:3.00-5.00)
 &rst iat=1626,1642, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  100 DA    H3'   101 DT    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1623,1642, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  100 DA    H8    101 DT    H7    3.00  5.00  (# DNA_30+60.ual:3.44-4.66,DNA_120.ual:3.00-5.00)
 &rst iat=1610,  -1, r1= 2.50, r2= 3.00, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1645,1646,1647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  100 DA    H2    122 DC    H1'   3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1619,2303, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  101 DT    H1'   101 DT    H2'1  2.45  4.09  (# DNA_30+60.ual:2.45-4.09)
 &rst iat=1639,1657, r1= 1.95, r2= 2.45, r3= 4.09, r4= 4.59,  &end
#
#  101 DT    H1'   101 DT    H2'2  1.84  3.08  (# DNA_30+60.ual:1.84-3.08)
 &rst iat=1639,1658, r1= 1.34, r2= 1.84, r3= 3.08, r4= 3.58,  &end
#
#  101 DT    H1'   101 DT    H4'   2.29  3.83  (# DNA_30+60.ual:2.29-3.83)
 &rst iat=1639,1636, r1= 1.79, r2= 2.29, r3= 3.83, r4= 4.33,  &end
#
#  101 DT    H1'   101 DT    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1639,1642, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  101 DT    H2'1  101 DT    H3'   1.92  3.20  (# DNA_30+60.ual:1.92-3.20)
 &rst iat=1657,1655, r1= 1.42, r2= 1.92, r3= 3.20, r4= 3.70,  &end
#
#  101 DT    H2'1  101 DT    H6    1.71  2.85  (# DNA_30+60.ual:1.71-2.85,DNA_120.ual:3.00-5.00)
 &rst iat=1657,1642, r1= 1.21, r2= 1.71, r3= 2.85, r4= 3.35,  &end
#
#  101 DT    H2'2  101 DT    H3'   2.28  3.80  (# DNA_30+60.ual:2.28-3.80)
 &rst iat=1658,1655, r1= 1.78, r2= 2.28, r3= 3.80, r4= 4.30,  &end
#
#  101 DT    H2'2  101 DT    H6    2.18  3.64  (# DNA_30+60.ual:2.18-3.64,DNA_120.ual:3.00-5.00)
 &rst iat=1658,1642, r1= 1.68, r2= 2.18, r3= 3.64, r4= 4.14,  &end
#
#  101 DT    H3'   101 DT    H6    2.38  3.98  (# DNA_30+60.ual:2.38-3.98,DNA_120.ual:3.00-5.00)
 &rst iat=1655,1642, r1= 1.88, r2= 2.38, r3= 3.98, r4= 4.48,  &end
#
#  101 DT    H4'   101 DT    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1636,1642, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  101 DT    H6    101 DT    H7    2.16  2.92  (# DNA_30+60.ual:2.16-2.92,DNA_120.ual:3.00-5.00)
 &rst iat=1642,  -1, r1= 1.66, r2= 2.16, r3= 3.43, r4= 3.93,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1645,1646,1647,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  101 DT    H1'   102 DG    H8    3.00  5.00  (# DNA_30+60.ual:3.82-5.16,DNA_120.ual:3.00-5.00)
 &rst iat=1639,1674, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  102 DG    H1'   102 DG    H2'2  1.98  3.28  (# DNA_30+60.ual:1.98-3.28)
 &rst iat=1671,1691, r1= 1.48, r2= 1.98, r3= 3.28, r4= 3.78,  &end
#
#  102 DG    H1'   102 DG    H4'   2.45  4.09  (# DNA_30+60.ual:2.45-4.09)
 &rst iat=1671,1668, r1= 1.95, r2= 2.45, r3= 4.09, r4= 4.59,  &end
#
#  102 DG    H1'   102 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1671,1674, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  102 DG    H2'1  102 DG    H8    1.92  3.22  (# DNA_30+60.ual:1.92-3.22,DNA_120.ual:3.00-5.00)
 &rst iat=1690,1674, r1= 1.42, r2= 1.92, r3= 3.22, r4= 3.72,  &end
#
#  102 DG    H2'2  102 DG    H8    2.60  4.34  (# DNA_30+60.ual:2.60-4.34,DNA_120.ual:3.00-5.00)
 &rst iat=1691,1674, r1= 2.10, r2= 2.60, r3= 4.34, r4= 4.84,  &end
#
#  102 DG    H4'   102 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1668,1674, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  102 DG    H1'   103 DG    H8    3.00  5.00  (# DNA_30+60.ual:3.12-4.22,DNA_120.ual:3.00-5.00)
 &rst iat=1671,1707, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  102 DG    H2'1  103 DG    H8    2.48  4.14  (# DNA_30+60.ual:2.48-4.14,DNA_120.ual:3.00-5.00)
 &rst iat=1690,1707, r1= 1.98, r2= 2.48, r3= 4.14, r4= 4.64,  &end
#
#  102 DG    H2'2  103 DG    H8    2.01  3.35  (# DNA_30+60.ual:2.01-3.35,DNA_120.ual:3.00-5.00)
 &rst iat=1691,1707, r1= 1.51, r2= 2.01, r3= 3.35, r4= 3.85,  &end
#
#  102 DG    H3'   103 DG    H8    2.81  4.67  (# DNA_30+60.ual:2.81-4.67,DNA_120.ual:3.00-5.00)
 &rst iat=1688,1707, r1= 2.31, r2= 2.81, r3= 4.67, r4= 5.17,  &end
#
#  103 DG    H1'   103 DG    H2'2  1.91  3.17  (# DNA_30+60.ual:1.91-3.17)
 &rst iat=1704,1724, r1= 1.41, r2= 1.91, r3= 3.17, r4= 3.67,  &end
#
#  103 DG    H1'   103 DG    H4'   1.99  3.31  (# DNA_30+60.ual:1.99-3.31)
 &rst iat=1704,1701, r1= 1.49, r2= 1.99, r3= 3.31, r4= 3.81,  &end
#
#  103 DG    H2'2  103 DG    H8    2.16  3.60  (# DNA_30+60.ual:2.16-3.60,DNA_120.ual:3.00-5.00)
 &rst iat=1724,1707, r1= 1.66, r2= 2.16, r3= 3.60, r4= 4.10,  &end
#
#  103 DG    H3'   103 DG    H4'   1.99  3.33  (# DNA_30+60.ual:1.99-3.33)
 &rst iat=1721,1701, r1= 1.49, r2= 1.99, r3= 3.33, r4= 3.83,  &end
#
#  103 DG    H3'   103 DG    Q5'   2.16  3.60  (# DNA_30+60.ual:2.16-3.60)
 &rst iat=1721,  -1, r1= 1.66, r2= 2.16, r3= 3.98, r4= 4.48,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1698,1699,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  103 DG    H2'2  104 DG    H8    2.42  4.02  (# DNA_30+60.ual:2.42-4.02,DNA_120.ual:3.00-5.00)
 &rst iat=1724,1740, r1= 1.92, r2= 2.42, r3= 4.02, r4= 4.52,  &end
#
#  104 DG    H1'   104 DG    H2'1  2.40  4.00  (# DNA_30+60.ual:2.40-4.00)
 &rst iat=1737,1756, r1= 1.90, r2= 2.40, r3= 4.00, r4= 4.50,  &end
#
#  104 DG    H1'   104 DG    H2'2  2.06  3.42  (# DNA_30+60.ual:2.06-3.42)
 &rst iat=1737,1757, r1= 1.56, r2= 2.06, r3= 3.42, r4= 3.92,  &end
#
#  104 DG    H1'   104 DG    H4'   2.18  3.64  (# DNA_30+60.ual:2.18-3.64)
 &rst iat=1737,1734, r1= 1.68, r2= 2.18, r3= 3.64, r4= 4.14,  &end
#
#  104 DG    H1'   104 DG    H8    3.00  5.00  (# DNA_30+60.ual:3.34-4.52,DNA_120.ual:3.00-5.00)
 &rst iat=1737,1740, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  104 DG    H2'1  104 DG    H3'   1.80  3.00  (# DNA_30+60.ual:1.80-3.00)
 &rst iat=1756,1754, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  104 DG    H2'1  104 DG    H8    2.09  3.49  (# DNA_30+60.ual:2.09-3.49,DNA_120.ual:3.00-5.00)
 &rst iat=1756,1740, r1= 1.59, r2= 2.09, r3= 3.49, r4= 3.99,  &end
#
#  104 DG    H2'2  104 DG    H8    2.43  4.07  (# DNA_30+60.ual:2.43-4.07,DNA_120.ual:3.00-5.00)
 &rst iat=1757,1740, r1= 1.93, r2= 2.43, r3= 4.07, r4= 4.57,  &end
#
#  104 DG    H3'   104 DG    H4'   2.24  3.74  (# DNA_30+60.ual:2.24-3.74)
 &rst iat=1754,1734, r1= 1.74, r2= 2.24, r3= 3.74, r4= 4.24,  &end
#
#  104 DG    H1'   105 DA    H8    2.56  3.46  (# DNA_30+60.ual:2.56-3.46,DNA_120.ual:3.00-5.00)
 &rst iat=1737,1773, r1= 2.06, r2= 2.56, r3= 3.46, r4= 3.96,  &end
#
#  104 DG    H2'2  105 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1757,1773, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  105 DA    H1'   105 DA    H2    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1770,1782, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  105 DA    H1'   105 DA    H2'1  2.18  3.64  (# DNA_30+60.ual:2.18-3.64)
 &rst iat=1770,1788, r1= 1.68, r2= 2.18, r3= 3.64, r4= 4.14,  &end
#
#  105 DA    H1'   105 DA    H2'2  1.84  3.08  (# DNA_30+60.ual:1.84-3.08)
 &rst iat=1770,1789, r1= 1.34, r2= 1.84, r3= 3.08, r4= 3.58,  &end
#
#  105 DA    H1'   105 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1770,1773, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  105 DA    H2'2  105 DA    H3'   1.91  3.19  (# DNA_30+60.ual:1.91-3.19)
 &rst iat=1789,1786, r1= 1.41, r2= 1.91, r3= 3.19, r4= 3.69,  &end
#
#  105 DA    H2'2  105 DA    H8    2.34  3.90  (# DNA_30+60.ual:2.34-3.90,DNA_120.ual:3.00-5.00)
 &rst iat=1789,1773, r1= 1.84, r2= 2.34, r3= 3.90, r4= 4.40,  &end
#
#  105 DA    H3'   105 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1786,1773, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  105 DA    H3'   105 DA    Q5'   2.06  3.44  (# DNA_30+60.ual:2.06-3.44)
 &rst iat=1786,  -1, r1= 1.56, r2= 2.06, r3= 3.81, r4= 4.31,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1764,1765,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  105 DA    H8    105 DA    Q5'   3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1773,  -1, r1= 2.50, r2= 3.00, r3= 5.47, r4= 5.97,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1764,1765,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  105 DA    H1'   106 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1770,1805, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  105 DA    H2'1  106 DG    H8    3.00  5.00  (# DNA_30+60.ual:3.09-5.15,DNA_120.ual:3.00-5.00)
 &rst iat=1788,1805, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  105 DA    H2'2  106 DG    H8    2.37  3.94  (# DNA_30+60.ual:2.37-3.94,DNA_120.ual:3.00-5.00)
 &rst iat=1789,1805, r1= 1.87, r2= 2.37, r3= 3.94, r4= 4.44,  &end
#
#  105 DA    H3'   106 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1786,1805, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  105 DA    H2    117 DC    H1'   2.44  3.30  (# DNA_30+60.ual:2.44-3.30,DNA_120.ual:3.00-5.00)
 &rst iat=1782,2149, r1= 1.94, r2= 2.44, r3= 3.30, r4= 3.80,  &end
#
#  106 DG    H1'   106 DG    H2'1  2.49  4.15  (# DNA_30+60.ual:2.49-4.15)
 &rst iat=1802,1821, r1= 1.99, r2= 2.49, r3= 4.15, r4= 4.65,  &end
#
#  106 DG    H1'   106 DG    H2'2  1.93  3.23  (# DNA_30+60.ual:1.93-3.23)
 &rst iat=1802,1822, r1= 1.43, r2= 1.93, r3= 3.23, r4= 3.73,  &end
#
#  106 DG    H1'   106 DG    H4'   2.38  3.98  (# DNA_30+60.ual:2.38-3.98)
 &rst iat=1802,1799, r1= 1.88, r2= 2.38, r3= 3.98, r4= 4.48,  &end
#
#  106 DG    H1'   106 DG    H8    3.00  5.00  (# DNA_30+60.ual:3.71-5.03,DNA_120.ual:3.00-5.00)
 &rst iat=1802,1805, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  106 DG    H2'1  106 DG    H8    2.13  3.53  (# DNA_30+60.ual:2.13-3.53,DNA_120.ual:3.00-5.00)
 &rst iat=1821,1805, r1= 1.63, r2= 2.13, r3= 3.53, r4= 4.03,  &end
#
#  106 DG    H2'2  106 DG    H8    3.00  5.00  (# DNA_30+60.ual:3.12-5.20,DNA_120.ual:3.00-5.00)
 &rst iat=1822,1805, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  106 DG    H3'   106 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1819,1805, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  106 DG    H1'   107 DA    H8    3.00  5.00  (# DNA_30+60.ual:3.21-4.35,DNA_120.ual:3.00-5.00)
 &rst iat=1802,1838, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  106 DG    H2'1  107 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1821,1838, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  106 DG    H2'2  107 DA    H8    1.97  3.27  (# DNA_30+60.ual:1.97-3.27,DNA_120.ual:3.00-5.00)
 &rst iat=1822,1838, r1= 1.47, r2= 1.97, r3= 3.27, r4= 3.77,  &end
#
#  107 DA    H1'   107 DA    H2'2  1.83  3.03  (# DNA_30+60.ual:1.83-3.03)
 &rst iat=1835,1854, r1= 1.33, r2= 1.83, r3= 3.03, r4= 3.53,  &end
#
#  107 DA    H1'   107 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1835,1838, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  107 DA    H2'1  107 DA    H8    2.06  3.42  (# DNA_30+60.ual:2.06-3.42,DNA_120.ual:3.00-5.00)
 &rst iat=1853,1838, r1= 1.56, r2= 2.06, r3= 3.42, r4= 3.92,  &end
#
#  107 DA    H3'   107 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1851,1838, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  107 DA    H1'   108 DC    H6    3.00  5.00  (# DNA_30+60.ual:3.18-4.30,DNA_120.ual:3.00-5.00)
 &rst iat=1835,1870, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  107 DA    H2    108 DC    H1'   3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1847,1867, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  107 DA    H2'1  108 DC    H6    2.18  3.64  (# DNA_30+60.ual:2.18-3.64,DNA_120.ual:3.00-5.00)
 &rst iat=1853,1870, r1= 1.68, r2= 2.18, r3= 3.64, r4= 4.14,  &end
#
#  107 DA    H2'2  108 DC    H6    1.86  3.10  (# DNA_30+60.ual:1.86-3.10,DNA_120.ual:3.00-5.00)
 &rst iat=1854,1870, r1= 1.36, r2= 1.86, r3= 3.10, r4= 3.60,  &end
#
#  107 DA    H3'   108 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1851,1870, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  107 DA    H8    108 DC    H5    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1838,1872, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  107 DA    H2    115 DC    H1'   3.00  5.00  (# DNA_30+60.ual:3.26-4.40,DNA_120.ual:3.00-5.00)
 &rst iat=1847,2087, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  108 DC    H1'   108 DC    H2'2  1.77  2.94  (# DNA_30+60.ual:1.77-2.94)
 &rst iat=1867,1884, r1= 1.27, r2= 1.77, r3= 2.94, r4= 3.44,  &end
#
#  108 DC    H1'   108 DC    H4'   2.06  3.44  (# DNA_30+60.ual:2.06-3.44)
 &rst iat=1867,1864, r1= 1.56, r2= 2.06, r3= 3.44, r4= 3.94,  &end
#
#  108 DC    H1'   108 DC    H6    2.93  3.97  (# DNA_30+60.ual:2.93-3.97,DNA_120.ual:3.00-5.00)
 &rst iat=1867,1870, r1= 2.43, r2= 2.93, r3= 3.97, r4= 4.47,  &end
#
#  108 DC    H2'1  108 DC    H6    1.73  2.89  (# DNA_30+60.ual:1.73-2.89,DNA_120.ual:3.00-5.00)
 &rst iat=1883,1870, r1= 1.23, r2= 1.73, r3= 2.89, r4= 3.39,  &end
#
#  108 DC    H2'2  108 DC    H6    2.58  4.28  (# DNA_30+60.ual:2.58-4.28,DNA_120.ual:3.00-5.00)
 &rst iat=1884,1870, r1= 2.08, r2= 2.58, r3= 4.28, r4= 4.78,  &end
#
#  108 DC    H3'   108 DC    H6    2.67  4.47  (# DNA_30+60.ual:2.67-4.47,DNA_120.ual:3.00-5.00)
 &rst iat=1881,1870, r1= 2.17, r2= 2.67, r3= 4.47, r4= 4.97,  &end
#
#  108 DC    H4'   108 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1864,1870, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  108 DC    H5    108 DC    H6    2.01  2.73  (# DNA_30+60.ual:2.01-2.73,DNA_120.ual:3.00-5.00)
 &rst iat=1872,1870, r1= 1.51, r2= 2.01, r3= 2.73, r4= 3.23,  &end
#
#  108 DC    H1'   109 DC    H6    3.00  5.00  (# DNA_30+60.ual:3.83-5.17,DNA_120.ual:3.00-5.00)
 &rst iat=1867,1900, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  108 DC    H2'2  109 DC    H6    2.14  3.58  (# DNA_30+60.ual:2.14-3.58,DNA_120.ual:3.00-5.00)
 &rst iat=1884,1900, r1= 1.64, r2= 2.14, r3= 3.58, r4= 4.08,  &end
#
#  108 DC    H6    109 DC    H5    3.00  5.00  (# DNA_30+60.ual:3.29-4.45,DNA_120.ual:3.00-5.00)
 &rst iat=1870,1902, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  109 DC    H1'   109 DC    H2'1  2.17  3.62  (# DNA_30+60.ual:2.17-3.62)
 &rst iat=1897,1913, r1= 1.67, r2= 2.17, r3= 3.62, r4= 4.12,  &end
#
#  109 DC    H1'   109 DC    H4'   2.03  3.39  (# DNA_30+60.ual:2.03-3.39)
 &rst iat=1897,1894, r1= 1.53, r2= 2.03, r3= 3.39, r4= 3.89,  &end
#
#  109 DC    H1'   109 DC    H6    3.00  5.00  (# DNA_30+60.ual:3.19-4.31,DNA_120.ual:3.00-5.00)
 &rst iat=1897,1900, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  109 DC    H2'2  109 DC    H3'   2.13  3.56  (# DNA_30+60.ual:2.13-3.56)
 &rst iat=1914,1911, r1= 1.63, r2= 2.13, r3= 3.56, r4= 4.06,  &end
#
#  109 DC    H2'2  109 DC    H6    2.35  3.91  (# DNA_30+60.ual:2.35-3.91,DNA_120.ual:3.00-5.00)
 &rst iat=1914,1900, r1= 1.85, r2= 2.35, r3= 3.91, r4= 4.41,  &end
#
#  109 DC    H3'   109 DC    H4'   2.07  3.47  (# DNA_30+60.ual:2.07-3.47)
 &rst iat=1911,1894, r1= 1.57, r2= 2.07, r3= 3.47, r4= 3.97,  &end
#
#  109 DC    H4'   109 DC    H6    2.56  4.26  (# DNA_30+60.ual:2.56-4.26,DNA_120.ual:3.00-5.00)
 &rst iat=1894,1900, r1= 2.06, r2= 2.56, r3= 4.26, r4= 4.76,  &end
#
#  109 DC    H5    109 DC    H6    1.98  2.68  (# DNA_30+60.ual:1.98-2.68,DNA_120.ual:3.00-5.00)
 &rst iat=1902,1900, r1= 1.48, r2= 1.98, r3= 2.68, r4= 3.18,  &end
#
#  109 DC    H1'   110 DG3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1897,1930, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  109 DC    H2'1  110 DG3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1913,1930, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  109 DC    H2'2  110 DG3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1914,1930, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  109 DC    H3'   110 DG3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1911,1930, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  110 DG3   H1'   110 DG3   H2'1  1.70  3.52  (# DNA_30+60.ual:1.70-3.52)
 &rst iat=1927,1946, r1= 1.20, r2= 1.70, r3= 3.52, r4= 4.02,  &end
#
#  110 DG3   H1'   110 DG3   H2'2  1.46  3.04  (# DNA_30+60.ual:1.46-3.04)
 &rst iat=1927,1947, r1= 0.96, r2= 1.46, r3= 3.04, r4= 3.54,  &end
#
#  110 DG3   H1'   110 DG3   H4'   2.29  4.77  (# DNA_30+60.ual:2.29-4.77)
 &rst iat=1927,1924, r1= 1.79, r2= 2.29, r3= 4.77, r4= 5.27,  &end
#
#  110 DG3   H1'   110 DG3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1927,1930, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  110 DG3   H2'2  110 DG3   H8    1.82  3.78  (# DNA_30+60.ual:1.82-3.78,DNA_120.ual:3.00-5.00)
 &rst iat=1947,1930, r1= 1.32, r2= 1.82, r3= 3.78, r4= 4.28,  &end
#
#  110 DG3   H3'   110 DG3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1944,1930, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  110 DG3   H4'   110 DG3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1924,1930, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  111 DC5   H1'   111 DC5   H2'1  2.10  4.34  (# DNA_30+60.ual:2.10-4.34)
 &rst iat=1959,1975, r1= 1.60, r2= 2.10, r3= 4.34, r4= 4.84,  &end
#
#  111 DC5   H1'   111 DC5   H4'   1.74  3.62  (# DNA_30+60.ual:1.74-3.62)
 &rst iat=1959,1956, r1= 1.24, r2= 1.74, r3= 3.62, r4= 4.12,  &end
#
#  111 DC5   H1'   111 DC5   H6    2.39  3.99  (# DNA_30+60.ual:2.39-3.99,DNA_120.ual:3.00-5.00)
 &rst iat=1959,1962, r1= 1.89, r2= 2.39, r3= 3.99, r4= 4.49,  &end
#
#  111 DC5   H2'1  111 DC5   H6    1.80  3.72  (# DNA_30+60.ual:1.80-3.72,DNA_120.ual:3.00-5.00)
 &rst iat=1975,1962, r1= 1.30, r2= 1.80, r3= 3.72, r4= 4.22,  &end
#
#  111 DC5   H2'2  111 DC5   H6    1.93  3.99  (# DNA_30+60.ual:1.93-3.99,DNA_120.ual:3.00-5.00)
 &rst iat=1976,1962, r1= 1.43, r2= 1.93, r3= 3.99, r4= 4.49,  &end
#
#  111 DC5   H3'   111 DC5   H6    2.55  5.31  (# DNA_30+60.ual:2.55-5.31,DNA_120.ual:3.00-5.00)
 &rst iat=1973,1962, r1= 2.05, r2= 2.55, r3= 5.31, r4= 5.81,  &end
#
#  111 DC5   H3'   111 DC5   Q5'   2.01  4.17  (# DNA_30+60.ual:2.01-4.17)
 &rst iat=1973,  -1, r1= 1.51, r2= 2.01, r3= 4.59, r4= 5.09,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1953,1954,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  111 DC5   H5    111 DC5   H6    1.76  2.92  (# DNA_30+60.ual:1.76-2.92,DNA_120.ual:3.00-5.00)
 &rst iat=1964,1962, r1= 1.26, r2= 1.76, r3= 2.92, r4= 3.42,  &end
#
#  111 DC5   H1'   112 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1959,1992, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  111 DC5   H2'1  112 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1975,1992, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  111 DC5   H3'   112 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1973,1992, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  112 DG    H1'   112 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1989,1992, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  112 DG    H2'2  112 DG    H3'   1.87  3.13  (# DNA_30+60.ual:1.87-3.13)
 &rst iat=2009,2006, r1= 1.37, r2= 1.87, r3= 3.13, r4= 3.63,  &end
#
#  112 DG    H3'   112 DG    H4'   2.49  4.15  (# DNA_30+60.ual:2.49-4.15)
 &rst iat=2006,1986, r1= 1.99, r2= 2.49, r3= 4.15, r4= 4.65,  &end
#
#  112 DG    H3'   112 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2006,1992, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  112 DG    H4'   112 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=1986,1992, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  112 DG    H1'   113 DG    H8    2.78  3.76  (# DNA_30+60.ual:2.78-3.76,DNA_120.ual:3.00-5.00)
 &rst iat=1989,2025, r1= 2.28, r2= 2.78, r3= 3.76, r4= 4.26,  &end
#
#  112 DG    H3'   113 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2006,2025, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  113 DG    H1'   113 DG    H2'1  2.15  3.59  (# DNA_30+60.ual:2.15-3.59)
 &rst iat=2022,2041, r1= 1.65, r2= 2.15, r3= 3.59, r4= 4.09,  &end
#
#  113 DG    H1'   113 DG    H2'2  1.80  3.00  (# DNA_30+60.ual:1.80-3.00)
 &rst iat=2022,2042, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  113 DG    H1'   113 DG    H4'   2.48  4.13  (# DNA_30+60.ual:2.48-4.13)
 &rst iat=2022,2019, r1= 1.98, r2= 2.48, r3= 4.13, r4= 4.63,  &end
#
#  113 DG    H1'   113 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2022,2025, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  113 DG    H2'1  113 DG    H8    1.97  3.27  (# DNA_30+60.ual:1.97-3.27,DNA_120.ual:3.00-5.00)
 &rst iat=2041,2025, r1= 1.47, r2= 1.97, r3= 3.27, r4= 3.77,  &end
#
#  113 DG    H2'2  113 DG    H8    2.82  4.72  (# DNA_30+60.ual:2.82-4.72,DNA_120.ual:3.00-5.00)
 &rst iat=2042,2025, r1= 2.32, r2= 2.82, r3= 4.72, r4= 5.22,  &end
#
#  113 DG    H3'   113 DG    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2039,2025, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  113 DG    H2'1  114 DT    H6    2.43  4.07  (# DNA_30+60.ual:2.43-4.07,DNA_120.ual:3.00-5.00)
 &rst iat=2041,2058, r1= 1.93, r2= 2.43, r3= 4.07, r4= 4.57,  &end
#
#  113 DG    H2'2  114 DT    H6    1.77  2.95  (# DNA_30+60.ual:1.77-2.95,DNA_120.ual:3.00-5.00)
 &rst iat=2042,2058, r1= 1.27, r2= 1.77, r3= 2.95, r4= 3.45,  &end
#
#  113 DG    H8    114 DT    H7    3.00  5.00  (# DNA_30+60.ual:3.24-4.38,DNA_120.ual:3.00-5.00)
 &rst iat=2025,  -1, r1= 2.50, r2= 3.00, r3= 5.69, r4= 6.19,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  114 DT    H1'   114 DT    H2'2  1.87  3.13  (# DNA_30+60.ual:1.87-3.13)
 &rst iat=2055,2074, r1= 1.37, r2= 1.87, r3= 3.13, r4= 3.63,  &end
#
#  114 DT    H1'   114 DT    H4'   2.22  3.70  (# DNA_30+60.ual:2.22-3.70)
 &rst iat=2055,2052, r1= 1.72, r2= 2.22, r3= 3.70, r4= 4.20,  &end
#
#  114 DT    H2'1  114 DT    H6    1.61  2.67  (# DNA_30+60.ual:1.61-2.67,DNA_120.ual:3.00-5.00)
 &rst iat=2073,2058, r1= 1.11, r2= 1.61, r3= 2.67, r4= 3.17,  &end
#
#  114 DT    H2'2  114 DT    H3'   2.03  3.39  (# DNA_30+60.ual:2.03-3.39)
 &rst iat=2074,2071, r1= 1.53, r2= 2.03, r3= 3.39, r4= 3.89,  &end
#
#  114 DT    H2'2  114 DT    H6    2.14  3.58  (# DNA_30+60.ual:2.14-3.58,DNA_120.ual:3.00-5.00)
 &rst iat=2074,2058, r1= 1.64, r2= 2.14, r3= 3.58, r4= 4.08,  &end
#
#  114 DT    H4'   114 DT    H6    2.68  4.48  (# DNA_30+60.ual:2.68-4.48,DNA_120.ual:3.00-5.00)
 &rst iat=2052,2058, r1= 2.18, r2= 2.68, r3= 4.48, r4= 4.98,  &end
#
#  114 DT    H6    114 DT    H7    2.07  2.79  (# DNA_30+60.ual:2.07-2.79,DNA_120.ual:3.00-5.00)
 &rst iat=2058,  -1, r1= 1.57, r2= 2.07, r3= 3.28, r4= 3.78,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2061,2062,2063,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  114 DT    H1'   115 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2055,2090, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  114 DT    H2'2  115 DC    H6    1.96  3.26  (# DNA_30+60.ual:1.96-3.26,DNA_120.ual:3.00-5.00)
 &rst iat=2074,2090, r1= 1.46, r2= 1.96, r3= 3.26, r4= 3.76,  &end
#
#  114 DT    H3'   115 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2071,2090, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  114 DT    H6    115 DC    H5    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2058,2092, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  115 DC    H1'   115 DC    H2'2  1.80  3.00  (# DNA_30+60.ual:1.80-3.00)
 &rst iat=2087,2104, r1= 1.30, r2= 1.80, r3= 3.00, r4= 3.50,  &end
#
#  115 DC    H1'   115 DC    H4'   2.04  3.40  (# DNA_30+60.ual:2.04-3.40)
 &rst iat=2087,2084, r1= 1.54, r2= 2.04, r3= 3.40, r4= 3.90,  &end
#
#  115 DC    H1'   115 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2087,2090, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  115 DC    H2'2  115 DC    H6    2.72  4.52  (# DNA_30+60.ual:2.72-4.52,DNA_120.ual:3.00-5.00)
 &rst iat=2104,2090, r1= 2.22, r2= 2.72, r3= 4.52, r4= 5.02,  &end
#
#  115 DC    H3'   115 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2101,2090, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  115 DC    H5    115 DC    H6    2.14  2.90  (# DNA_30+60.ual:2.14-2.90,DNA_120.ual:3.00-5.00)
 &rst iat=2092,2090, r1= 1.64, r2= 2.14, r3= 2.90, r4= 3.40,  &end
#
#  115 DC    H1'   116 DT    H6    3.00  5.00  (# DNA_30+60.ual:3.30-4.46,DNA_120.ual:3.00-5.00)
 &rst iat=2087,2120, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  115 DC    H2'1  116 DT    H6    2.19  3.65  (# DNA_30+60.ual:2.19-3.65,DNA_120.ual:3.00-5.00)
 &rst iat=2103,2120, r1= 1.69, r2= 2.19, r3= 3.65, r4= 4.15,  &end
#
#  115 DC    H2'2  116 DT    H6    2.02  3.38  (# DNA_30+60.ual:2.02-3.38,DNA_120.ual:3.00-5.00)
 &rst iat=2104,2120, r1= 1.52, r2= 2.02, r3= 3.38, r4= 3.88,  &end
#
#  116 DT    H1'   116 DT    H4'   1.99  3.31  (# DNA_30+60.ual:1.99-3.31)
 &rst iat=2117,2114, r1= 1.49, r2= 1.99, r3= 3.31, r4= 3.81,  &end
#
#  116 DT    H1'   116 DT    H6    3.00  5.00  (# DNA_30+60.ual:3.09-4.17,DNA_120.ual:3.00-5.00)
 &rst iat=2117,2120, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  116 DT    H2'1  116 DT    H3'   1.66  2.76  (# DNA_30+60.ual:1.66-2.76)
 &rst iat=2135,2133, r1= 1.16, r2= 1.66, r3= 2.76, r4= 3.26,  &end
#
#  116 DT    H2'1  116 DT    H6    1.64  2.74  (# DNA_30+60.ual:1.64-2.74,DNA_120.ual:3.00-5.00)
 &rst iat=2135,2120, r1= 1.14, r2= 1.64, r3= 2.74, r4= 3.24,  &end
#
#  116 DT    H2'2  116 DT    H3'   2.06  3.44  (# DNA_30+60.ual:2.06-3.44)
 &rst iat=2136,2133, r1= 1.56, r2= 2.06, r3= 3.44, r4= 3.94,  &end
#
#  116 DT    H2'2  116 DT    H6    2.36  3.92  (# DNA_30+60.ual:2.36-3.92,DNA_120.ual:3.00-5.00)
 &rst iat=2136,2120, r1= 1.86, r2= 2.36, r3= 3.92, r4= 4.42,  &end
#
#  116 DT    H3'   116 DT    H6    2.49  4.15  (# DNA_30+60.ual:2.49-4.15,DNA_120.ual:3.00-5.00)
 &rst iat=2133,2120, r1= 1.99, r2= 2.49, r3= 4.15, r4= 4.65,  &end
#
#  116 DT    H4'   116 DT    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2114,2120, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  116 DT    H6    116 DT    H7    2.06  2.78  (# DNA_30+60.ual:2.06-2.78,DNA_120.ual:3.00-5.00)
 &rst iat=2120,  -1, r1= 1.56, r2= 2.06, r3= 3.27, r4= 3.77,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2123,2124,2125,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  116 DT    H1'   117 DC    H6    2.86  3.88  (# DNA_30+60.ual:2.86-3.88,DNA_120.ual:3.00-5.00)
 &rst iat=2117,2152, r1= 2.36, r2= 2.86, r3= 3.88, r4= 4.38,  &end
#
#  116 DT    H2'1  117 DC    H6    2.13  3.56  (# DNA_30+60.ual:2.13-3.56,DNA_120.ual:3.00-5.00)
 &rst iat=2135,2152, r1= 1.63, r2= 2.13, r3= 3.56, r4= 4.06,  &end
#
#  116 DT    H2'2  117 DC    H6    1.89  3.15  (# DNA_30+60.ual:1.89-3.15,DNA_120.ual:3.00-5.00)
 &rst iat=2136,2152, r1= 1.39, r2= 1.89, r3= 3.15, r4= 3.65,  &end
#
#  116 DT    H3'   117 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2133,2152, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  117 DC    H1'   117 DC    H4'   1.92  3.20  (# DNA_30+60.ual:1.92-3.20)
 &rst iat=2149,2146, r1= 1.42, r2= 1.92, r3= 3.20, r4= 3.70,  &end
#
#  117 DC    H1'   117 DC    H6    2.77  3.75  (# DNA_30+60.ual:2.77-3.75,DNA_120.ual:3.00-5.00)
 &rst iat=2149,2152, r1= 2.27, r2= 2.77, r3= 3.75, r4= 4.25,  &end
#
#  117 DC    H2'1  117 DC    H6    1.95  3.25  (# DNA_30+60.ual:1.95-3.25,DNA_120.ual:3.00-5.00)
 &rst iat=2165,2152, r1= 1.45, r2= 1.95, r3= 3.25, r4= 3.75,  &end
#
#  117 DC    H3'   117 DC    H6    2.30  3.84  (# DNA_30+60.ual:2.30-3.84,DNA_120.ual:3.00-5.00)
 &rst iat=2163,2152, r1= 1.80, r2= 2.30, r3= 3.84, r4= 4.34,  &end
#
#  117 DC    H5    117 DC    H6    2.12  2.88  (# DNA_30+60.ual:2.12-2.88,DNA_120.ual:3.00-5.00)
 &rst iat=2154,2152, r1= 1.62, r2= 2.12, r3= 2.88, r4= 3.38,  &end
#
#  117 DC    H1'   118 DC    H6    3.00  5.00  (# DNA_30+60.ual:3.08-4.16,DNA_120.ual:3.00-5.00)
 &rst iat=2149,2182, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  117 DC    H2'1  118 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2165,2182, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  117 DC    H2'2  118 DC    H6    1.94  3.24  (# DNA_30+60.ual:1.94-3.24,DNA_120.ual:3.00-5.00)
 &rst iat=2166,2182, r1= 1.44, r2= 1.94, r3= 3.24, r4= 3.74,  &end
#
#  117 DC    H6    118 DC    H5    3.00  5.00  (# DNA_30+60.ual:3.43-4.65,DNA_120.ual:3.00-5.00)
 &rst iat=2152,2184, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  118 DC    H1'   118 DC    H2'1  2.30  3.84  (# DNA_30+60.ual:2.30-3.84)
 &rst iat=2179,2195, r1= 1.80, r2= 2.30, r3= 3.84, r4= 4.34,  &end
#
#  118 DC    H1'   118 DC    H2'2  1.75  2.91  (# DNA_30+60.ual:1.75-2.91)
 &rst iat=2179,2196, r1= 1.25, r2= 1.75, r3= 2.91, r4= 3.41,  &end
#
#  118 DC    H1'   118 DC    H4'   2.26  3.76  (# DNA_30+60.ual:2.26-3.76)
 &rst iat=2179,2176, r1= 1.76, r2= 2.26, r3= 3.76, r4= 4.26,  &end
#
#  118 DC    H1'   118 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2179,2182, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  118 DC    H2'1  118 DC    H6    1.69  2.83  (# DNA_30+60.ual:1.69-2.83,DNA_120.ual:3.00-5.00)
 &rst iat=2195,2182, r1= 1.19, r2= 1.69, r3= 2.83, r4= 3.33,  &end
#
#  118 DC    H2'2  118 DC    H6    2.63  4.38  (# DNA_30+60.ual:2.63-4.38,DNA_120.ual:3.00-5.00)
 &rst iat=2196,2182, r1= 2.13, r2= 2.63, r3= 4.38, r4= 4.88,  &end
#
#  118 DC    H4'   118 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2176,2182, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  118 DC    H5    118 DC    H6    2.01  2.71  (# DNA_30+60.ual:2.01-2.71,DNA_120.ual:3.00-5.00)
 &rst iat=2184,2182, r1= 1.51, r2= 2.01, r3= 2.71, r4= 3.21,  &end
#
#  118 DC    H1'   119 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2179,2212, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  118 DC    H2'1  119 DC    H6    2.24  3.74  (# DNA_30+60.ual:2.24-3.74,DNA_120.ual:3.00-5.00)
 &rst iat=2195,2212, r1= 1.74, r2= 2.24, r3= 3.74, r4= 4.24,  &end
#
#  118 DC    H3'   119 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2193,2212, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  119 DC    H1'   119 DC    H2'2  1.83  3.03  (# DNA_30+60.ual:1.83-3.03)
 &rst iat=2209,2226, r1= 1.33, r2= 1.83, r3= 3.03, r4= 3.53,  &end
#
#  119 DC    H1'   119 DC    H4'   2.38  3.98  (# DNA_30+60.ual:2.38-3.98)
 &rst iat=2209,2206, r1= 1.88, r2= 2.38, r3= 3.98, r4= 4.48,  &end
#
#  119 DC    H1'   119 DC    H6    2.90  3.92  (# DNA_30+60.ual:2.90-3.92,DNA_120.ual:3.00-5.00)
 &rst iat=2209,2212, r1= 2.40, r2= 2.90, r3= 3.92, r4= 4.42,  &end
#
#  119 DC    H2'1  119 DC    H6    1.62  2.70  (# DNA_30+60.ual:1.62-2.70,DNA_120.ual:3.00-5.00)
 &rst iat=2225,2212, r1= 1.12, r2= 1.62, r3= 2.70, r4= 3.20,  &end
#
#  119 DC    H2'2  119 DC    H3'   1.96  3.26  (# DNA_30+60.ual:1.96-3.26)
 &rst iat=2226,2223, r1= 1.46, r2= 1.96, r3= 3.26, r4= 3.76,  &end
#
#  119 DC    H5    119 DC    H6    2.07  2.79  (# DNA_30+60.ual:2.07-2.79,DNA_120.ual:3.00-5.00)
 &rst iat=2214,2212, r1= 1.57, r2= 2.07, r3= 2.79, r4= 3.29,  &end
#
#  119 DC    H1'   120 DA    H8    3.00  5.00  (# DNA_30+60.ual:3.59-4.85,DNA_120.ual:3.00-5.00)
 &rst iat=2209,2242, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  119 DC    H2'1  120 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2225,2242, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  119 DC    H2'2  120 DA    H8    2.18  3.64  (# DNA_30+60.ual:2.18-3.64,DNA_120.ual:3.00-5.00)
 &rst iat=2226,2242, r1= 1.68, r2= 2.18, r3= 3.64, r4= 4.14,  &end
#
#  119 DC    H3'   120 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2223,2242, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  120 DA    H1'   120 DA    H2    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2239,2251, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  120 DA    H1'   120 DA    H2'1  2.29  3.83  (# DNA_30+60.ual:2.29-3.83)
 &rst iat=2239,2257, r1= 1.79, r2= 2.29, r3= 3.83, r4= 4.33,  &end
#
#  120 DA    H1'   120 DA    H2'2  1.77  2.94  (# DNA_30+60.ual:1.77-2.94)
 &rst iat=2239,2258, r1= 1.27, r2= 1.77, r3= 2.94, r4= 3.44,  &end
#
#  120 DA    H1'   120 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2239,2242, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  120 DA    H2'1  120 DA    H8    1.84  3.07  (# DNA_30+60.ual:1.84-3.07,DNA_120.ual:3.00-5.00)
 &rst iat=2257,2242, r1= 1.34, r2= 1.84, r3= 3.07, r4= 3.57,  &end
#
#  120 DA    H2'2  120 DA    H8    2.48  4.13  (# DNA_30+60.ual:2.48-4.13,DNA_120.ual:3.00-5.00)
 &rst iat=2258,2242, r1= 1.98, r2= 2.48, r3= 4.13, r4= 4.63,  &end
#
#  120 DA    H3'   120 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2255,2242, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  120 DA    H4'   120 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2236,2242, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  120 DA    H1'   121 DT    H6    2.78  3.76  (# DNA_30+60.ual:2.78-3.76,DNA_120.ual:3.00-5.00)
 &rst iat=2239,2274, r1= 2.28, r2= 2.78, r3= 3.76, r4= 4.26,  &end
#
#  120 DA    H2    121 DT    H1'   3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2251,2271, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  120 DA    H2'1  121 DT    H6    1.99  3.31  (# DNA_30+60.ual:1.99-3.31,DNA_120.ual:3.00-5.00)
 &rst iat=2257,2274, r1= 1.49, r2= 1.99, r3= 3.31, r4= 3.81,  &end
#
#  120 DA    H2'2  121 DT    H6    1.88  3.14  (# DNA_30+60.ual:1.88-3.14,DNA_120.ual:3.00-5.00)
 &rst iat=2258,2274, r1= 1.38, r2= 1.88, r3= 3.14, r4= 3.64,  &end
#
#  120 DA    H8    121 DT    H7    2.71  3.67  (# DNA_30+60.ual:2.71-3.67,DNA_120.ual:3.00-5.00)
 &rst iat=2242,  -1, r1= 2.21, r2= 2.71, r3= 4.26, r4= 4.76,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2277,2278,2279,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  121 DT    H1'   121 DT    H4'   2.17  3.62  (# DNA_30+60.ual:2.17-3.62)
 &rst iat=2271,2268, r1= 1.67, r2= 2.17, r3= 3.62, r4= 4.12,  &end
#
#  121 DT    H1'   121 DT    H6    3.00  5.00  (# DNA_30+60.ual:3.21-4.35,DNA_120.ual:3.00-5.00)
 &rst iat=2271,2274, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  121 DT    H2'1  121 DT    H6    1.69  2.81  (# DNA_30+60.ual:1.69-2.81,DNA_120.ual:3.00-5.00)
 &rst iat=2289,2274, r1= 1.19, r2= 1.69, r3= 2.81, r4= 3.31,  &end
#
#  121 DT    H2'2  121 DT    H3'   2.32  3.86  (# DNA_30+60.ual:2.32-3.86)
 &rst iat=2290,2287, r1= 1.82, r2= 2.32, r3= 3.86, r4= 4.36,  &end
#
#  121 DT    H2'2  121 DT    H6    2.37  3.94  (# DNA_30+60.ual:2.37-3.94,DNA_120.ual:3.00-5.00)
 &rst iat=2290,2274, r1= 1.87, r2= 2.37, r3= 3.94, r4= 4.44,  &end
#
#  121 DT    H4'   121 DT    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2268,2274, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  121 DT    H6    121 DT    H7    1.96  2.65  (# DNA_30+60.ual:1.96-2.65,DNA_120.ual:3.00-5.00)
 &rst iat=2274,  -1, r1= 1.46, r2= 1.96, r3= 3.13, r4= 3.63,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2277,2278,2279,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  121 DT    H1'   122 DC    H6    3.00  5.00  (# DNA_30+60.ual:4.20-5.68,DNA_120.ual:3.00-5.00)
 &rst iat=2271,2306, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  121 DT    H2'1  122 DC    H6    2.06  3.44  (# DNA_30+60.ual:2.06-3.44,DNA_120.ual:3.00-5.00)
 &rst iat=2289,2306, r1= 1.56, r2= 2.06, r3= 3.44, r4= 3.94,  &end
#
#  121 DT    H6    122 DC    H5    2.98  4.03  (# DNA_30+60.ual:2.98-4.03,DNA_120.ual:3.00-5.00)
 &rst iat=2274,2308, r1= 2.48, r2= 2.98, r3= 4.03, r4= 4.53,  &end
#
#  122 DC    H1'   122 DC    H2'2  1.91  3.17  (# DNA_30+60.ual:1.91-3.17)
 &rst iat=2303,2320, r1= 1.41, r2= 1.91, r3= 3.17, r4= 3.67,  &end
#
#  122 DC    H1'   122 DC    H4'   2.11  3.51  (# DNA_30+60.ual:2.11-3.51)
 &rst iat=2303,2300, r1= 1.61, r2= 2.11, r3= 3.51, r4= 4.01,  &end
#
#  122 DC    H1'   122 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2303,2306, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  122 DC    H2'1  122 DC    H6    1.69  2.83  (# DNA_30+60.ual:1.69-2.83,DNA_120.ual:3.00-5.00)
 &rst iat=2319,2306, r1= 1.19, r2= 1.69, r3= 2.83, r4= 3.33,  &end
#
#  122 DC    H2'2  122 DC    H6    2.53  4.23  (# DNA_30+60.ual:2.53-4.23,DNA_120.ual:3.00-5.00)
 &rst iat=2320,2306, r1= 2.03, r2= 2.53, r3= 4.23, r4= 4.73,  &end
#
#  122 DC    H3'   122 DC    Q5'   2.19  3.65  (# DNA_30+60.ual:2.19-3.65)
 &rst iat=2317,  -1, r1= 1.69, r2= 2.19, r3= 4.04, r4= 4.54,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2297,2298,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  122 DC    H4'   122 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2300,2306, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  122 DC    H5    122 DC    H6    2.06  2.78  (# DNA_30+60.ual:2.06-2.78,DNA_120.ual:3.00-5.00)
 &rst iat=2308,2306, r1= 1.56, r2= 2.06, r3= 2.78, r4= 3.28,  &end
#
#  122 DC    H1'   123 DC    H6    3.00  5.00  (# DNA_30+60.ual:3.28-4.44,DNA_120.ual:3.00-5.00)
 &rst iat=2303,2336, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  122 DC    H2'1  123 DC    H6    2.45  4.09  (# DNA_30+60.ual:2.45-4.09,DNA_120.ual:3.00-5.00)
 &rst iat=2319,2336, r1= 1.95, r2= 2.45, r3= 4.09, r4= 4.59,  &end
#
#  122 DC    H2'2  123 DC    H6    2.02  3.38  (# DNA_30+60.ual:2.02-3.38,DNA_120.ual:3.00-5.00)
 &rst iat=2320,2336, r1= 1.52, r2= 2.02, r3= 3.38, r4= 3.88,  &end
#
#  122 DC    H3'   123 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2317,2336, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  123 DC    H1'   123 DC    H2'1  2.56  4.26  (# DNA_30+60.ual:2.56-4.26)
 &rst iat=2333,2349, r1= 2.06, r2= 2.56, r3= 4.26, r4= 4.76,  &end
#
#  123 DC    H1'   123 DC    H2'2  1.73  2.88  (# DNA_30+60.ual:1.73-2.88)
 &rst iat=2333,2350, r1= 1.23, r2= 1.73, r3= 2.88, r4= 3.38,  &end
#
#  123 DC    H1'   123 DC    H4'   2.12  3.52  (# DNA_30+60.ual:2.12-3.52)
 &rst iat=2333,2330, r1= 1.62, r2= 2.12, r3= 3.52, r4= 4.02,  &end
#
#  123 DC    H1'   123 DC    H6    2.97  4.01  (# DNA_30+60.ual:2.97-4.01,DNA_120.ual:3.00-5.00)
 &rst iat=2333,2336, r1= 2.47, r2= 2.97, r3= 4.01, r4= 4.51,  &end
#
#  123 DC    H2'1  123 DC    H3'   1.75  2.91  (# DNA_30+60.ual:1.75-2.91)
 &rst iat=2349,2347, r1= 1.25, r2= 1.75, r3= 2.91, r4= 3.41,  &end
#
#  123 DC    H2'1  123 DC    H6    1.84  3.08  (# DNA_30+60.ual:1.84-3.08,DNA_120.ual:3.00-5.00)
 &rst iat=2349,2336, r1= 1.34, r2= 1.84, r3= 3.08, r4= 3.58,  &end
#
#  123 DC    H2'2  123 DC    H3'   2.07  3.47  (# DNA_30+60.ual:2.07-3.47)
 &rst iat=2350,2347, r1= 1.57, r2= 2.07, r3= 3.47, r4= 3.97,  &end
#
#  123 DC    H2'2  123 DC    H6    2.37  3.95  (# DNA_30+60.ual:2.37-3.95,DNA_120.ual:3.00-5.00)
 &rst iat=2350,2336, r1= 1.87, r2= 2.37, r3= 3.95, r4= 4.45,  &end
#
#  123 DC    H3'   123 DC    H4'   2.00  3.34  (# DNA_30+60.ual:2.00-3.34)
 &rst iat=2347,2330, r1= 1.50, r2= 2.00, r3= 3.34, r4= 3.84,  &end
#
#  123 DC    H3'   123 DC    H6    2.54  4.24  (# DNA_30+60.ual:2.54-4.24,DNA_120.ual:3.00-5.00)
 &rst iat=2347,2336, r1= 2.04, r2= 2.54, r3= 4.24, r4= 4.74,  &end
#
#  123 DC    H4'   123 DC    H6    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2330,2336, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  123 DC    H5    123 DC    H6    2.00  2.70  (# DNA_30+60.ual:2.00-2.70,DNA_120.ual:3.00-5.00)
 &rst iat=2338,2336, r1= 1.50, r2= 2.00, r3= 2.70, r4= 3.20,  &end
#
#  123 DC    H1'   124 DA    H8    3.00  5.00  (# DNA_30+60.ual:4.42-5.98,DNA_120.ual:3.00-5.00)
 &rst iat=2333,2366, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  123 DC    H2'1  124 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2349,2366, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  123 DC    H2'2  124 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2350,2366, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  123 DC    H3'   124 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2347,2366, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  124 DA    H1'   124 DA    H2    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2363,2375, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  124 DA    H1'   124 DA    H2'1  2.36  3.92  (# DNA_30+60.ual:2.36-3.92)
 &rst iat=2363,2381, r1= 1.86, r2= 2.36, r3= 3.92, r4= 4.42,  &end
#
#  124 DA    H1'   124 DA    H2'2  1.83  3.03  (# DNA_30+60.ual:1.83-3.03)
 &rst iat=2363,2382, r1= 1.33, r2= 1.83, r3= 3.03, r4= 3.53,  &end
#
#  124 DA    H1'   124 DA    H4'   2.28  3.80  (# DNA_30+60.ual:2.28-3.80)
 &rst iat=2363,2360, r1= 1.78, r2= 2.28, r3= 3.80, r4= 4.30,  &end
#
#  124 DA    H2'2  124 DA    H3'   1.84  3.08  (# DNA_30+60.ual:1.84-3.08)
 &rst iat=2382,2379, r1= 1.34, r2= 1.84, r3= 3.08, r4= 3.58,  &end
#
#  124 DA    H3'   124 DA    H4'   2.13  3.55  (# DNA_30+60.ual:2.13-3.55)
 &rst iat=2379,2360, r1= 1.63, r2= 2.13, r3= 3.55, r4= 4.05,  &end
#
#  124 DA    H3'   124 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2379,2366, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  124 DA    H4'   124 DA    H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2360,2366, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  124 DA    H2    125 DA3   H1'   3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2375,2395, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  125 DA3   H1'   125 DA3   H4'   1.80  3.74  (# DNA_30+60.ual:1.80-3.74)
 &rst iat=2395,2392, r1= 1.30, r2= 1.80, r3= 3.74, r4= 4.24,  &end
#
#  125 DA3   H1'   125 DA3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2395,2398, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  125 DA3   H2'2  125 DA3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2414,2398, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  125 DA3   H3'   125 DA3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2411,2398, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#  125 DA3   H4'   125 DA3   H8    3.00  5.00  (# DNA_120.ual:3.00-5.00)
 &rst iat=2392,2398, r1= 2.50, r2= 3.00, r3= 5.00, r4= 5.50,  &end
#
#   0 AMB   1:131   0 AMB   2:131  1.78  3.70	 (# 	1.12	  H2'2 97  H2'2 117	# 	1.12	  H6 97  H6 117)
 &rst iat=  -1,  -1, r1= 1.28, r2= 1.78, r3= 4.64, r4= 5.14,

      rk2=20.0, rk3=20.0, ir6=1,
 igr1=1528,2166,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1512,2152,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:183   0 AMB   2:183  2.68  4.48	 (# 	1.12	  H2'2 105  H2'2 107	# 	1.12	  H8 105  H8 107)
 &rst iat=  -1,  -1, r1= 2.18, r2= 2.68, r3= 5.62, r4= 6.12,
 igr1=1789,1854,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1773,1838,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:201   0 AMB   2:201  1.78  2.98	 (# 	1.20	  H6 119  H8 103  H8 104	# 	1.12	  H5 119  H3' 103)
 &rst iat=  -1,  -1, r1= 1.28, r2= 1.78, r3= 4.01, r4= 4.51,
 igr1=2212,1707,1740,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2214,1721,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:276   0 AMB   2:276  1.62  2.72	 (# 	1.12	  H1' 109  H1' 121	# 	1.12	  H2'2 109  H2'2 121)
 &rst iat=  -1,  -1, r1= 1.12, r2= 1.62, r3= 3.41, r4= 3.91,
 igr1=1897,2271,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1914,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:290   0 AMB   2:290  2.38  3.22	 (# 	1.12	  H1' 104  H1' 106	# 	1.12	  H8 105  H8 107)
 &rst iat=  -1,  -1, r1= 1.88, r2= 2.38, r3= 4.04, r4= 4.54,
 igr1=1737,1802,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1773,1838,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:308   0 AMB   2:308  2.11  3.51	 (# 	1.12	  H1' 122  H1' 116	# 	1.12	  H2'1 122  H2'1 116)
 &rst iat=  -1,  -1, r1= 1.61, r2= 2.11, r3= 4.40, r4= 4.90,
 igr1=2303,2117,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2319,2135,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:355   0 AMB   2:355  2.52  4.20	 (# 	1.12	  H1' 122  H1' 116	# 	1.12	  H4' 122  H4' 116)
 &rst iat=  -1,  -1, r1= 2.02, r2= 2.52, r3= 5.27, r4= 5.77,
 igr1=2303,2117,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2300,2114,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:36    0 AMB   2:36   1.82  3.78	 (# 	1.20	  H6 96  H6 97  H6 117	# 	1.12	  H2'2 97  H2'2 117)
 &rst iat=  -1,  -1, r1= 1.32, r2= 1.82, r3= 5.08, r4= 5.58,
 igr1=1480,1512,2152,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1528,2166,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:360   0 AMB   2:360  2.07  3.45	 (# 	1.12	  H1' 120  H1' 107	# 	1.35	  H5'1 120 H5'2 120  H5'1 107 H5'2 107  H4' 120  H4' 107)
 &rst iat=  -1,  -1, r1= 1.57, r2= 2.07, r3= 5.22, r4= 5.72,
 igr1=2239,1835,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2233,2234,1829,1830,2236,1832,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:367   0 AMB   2:367  2.52  4.20	 (# 	1.12	  H8 104  H6 119	# 	1.12	  H3' 104  H3' 119)
 &rst iat=  -1,  -1, r1= 2.02, r2= 2.52, r3= 5.27, r4= 5.77,
 igr1=1740,2212,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1754,2223,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:373   0 AMB   2:373  2.26  3.76	 (# 	1.12	  H6 109  H6 115	# 	1.20	  H3' 109  H3' 108  H3' 114)
 &rst iat=  -1,  -1, r1= 1.76, r2= 2.26, r3= 5.05, r4= 5.55,
 igr1=1900,2090,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1911,1881,2071,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:379   0 AMB   2:379  2.18  3.64	 (# 	1.12	  H6 121  H6 114	# 	1.12	  H3' 121  H3' 114)
 &rst iat=  -1,  -1, r1= 1.68, r2= 2.18, r3= 4.57, r4= 5.07,
 igr1=2274,2058,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2287,2071,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:380   0 AMB   2:380  2.93  4.89	 (# 	1.12	  H6 121  H6 114	# 	1.12	  H3' 120  H3' 113)
 &rst iat=  -1,  -1, r1= 2.43, r2= 2.93, r3= 6.13, r4= 6.63,
 igr1=2274,2058,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2255,2039,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:390   0 AMB   2:390  3.00  5.00	 (# 	1.12	  H8 105  H8 107	# 	1.12	  H4' 105  H4' 107)
 &rst iat=  -1,  -1, r1= 2.50, r2= 3.00, r3= 6.27, r4= 6.77,
 igr1=1773,1838,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1767,1832,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:400   0 AMB   2:400  3.00  5.00	 (# 	1.12	  H8 99  H6 122	# 	1.20	  H5'1 99 H5'2 99  H4' 121)
 &rst iat=  -1,  -1, r1= 2.50, r2= 3.00, r3= 6.72, r4= 7.22,
 igr1=1577,2306,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1568,1569,2268,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:405   0 AMB   2:405  3.00  5.00	 (# 	1.12	  H8 103  H6 119	# 	1.12	  H4' 102  H4' 118)
 &rst iat=  -1,  -1, r1= 2.50, r2= 3.00, r3= 6.27, r4= 6.77,
 igr1=1707,2212,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1668,2176,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:406   0 AMB   2:406  2.45  5.07	 (# 	1.12	  H6 97  H6 117	# 	1.12	  H4' 97  H4' 116)
 &rst iat=  -1,  -1, r1= 1.95, r2= 2.45, r3= 6.36, r4= 6.86,
 igr1=1512,2152,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1506,2114,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:407   0 AMB   2:407  3.00  5.00	 (# 	1.12	  H6 97  H6 117	# 	1.20	  H5'1 97 H5'2 97  H4' 117)
 &rst iat=  -1,  -1, r1= 2.50, r2= 3.00, r3= 6.72, r4= 7.22,
 igr1=1512,2152,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1503,1504,2146,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:411   0 AMB   2:411  2.44  4.08	 (# 	1.20	  H6 109  H6 115  H6 116	# 	1.31	  H4' 108  H5'1 115 H5'2 115  H5'1 116 H5'2 116)
 &rst iat=  -1,  -1, r1= 1.94, r2= 2.44, r3= 6.41, r4= 6.91,
 igr1=1900,2090,2120,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1864,2081,2082,2111,2112,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:58    0 AMB   2:58   1.84  3.08	 (# 	1.12	  H8 99  H6 122	# 	1.12	  H2'1 99  H2'2 121)
 &rst iat=  -1,  -1, r1= 1.34, r2= 1.84, r3= 3.86, r4= 4.36,
 igr1=1577,2306,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1593,2290,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:71    0 AMB   2:71   2.43  5.05	 (# 	1.12	  H8 110  H8 102	# 	1.12	  H2'1 109  H2'1 101)
 &rst iat=  -1,  -1, r1= 1.93, r2= 2.43, r3= 6.33, r4= 6.83,
 igr1=1930,1674,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1913,1657,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:81    0 AMB   2:81   1.81  3.77	 (# 	1.12	  H8 124  H8 125	# 	1.12	  H2'1 124  H2'1 125)
 &rst iat=  -1,  -1, r1= 1.31, r2= 1.81, r3= 4.73, r4= 5.23,
 igr1=2366,2398,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=2381,2413,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:85    0 AMB   2:85   2.17  3.62	 (# 	1.12	  H8 107  H8 112	# 	1.12	  H2'2 107  H2'2 112)
 &rst iat=  -1,  -1, r1= 1.67, r2= 2.17, r3= 4.54, r4= 5.04,
 igr1=1838,1992,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1854,2009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:88    0 AMB   2:88   1.71  3.53	 (# 	1.12	  H8 105  H8 112	# 	1.12	  H2'1 105  H2'2 111)
 &rst iat=  -1,  -1, r1= 1.21, r2= 1.71, r3= 4.43, r4= 4.93,
 igr1=1773,1992,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1788,1976,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:209  96 DT5   H1'    2.41  4.01	 (# 	1.12	  H6 96  H6 97)
 &rst iat=  -1,1477, r1= 1.91, r2= 2.41, r3= 4.49, r4= 4.99,
 igr1=1480,1512,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:368  96 DT5   H3'    1.94  4.04	 (# 	1.12	  H6 96  H6 97)
 &rst iat=  -1,1493, r1= 1.44, r2= 1.94, r3= 4.52, r4= 5.02,
 igr1=1480,1512,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:41   96 DT5   H2'1   1.49  3.09	 (# 	1.12	  H6 96  H6 97)
 &rst iat=  -1,1495, r1= 0.99, r2= 1.49, r3= 3.46, r4= 3.96,
 igr1=1480,1512,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:42   96 DT5   H2'2   1.88  3.91	 (# 	1.12	  H6 96  H6 97)
 &rst iat=  -1,1496, r1= 1.38, r2= 1.88, r3= 4.38, r4= 4.88,
 igr1=1480,1512,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:275  96 DT5   H1'    2.88  4.80	 (# 	1.12	  H6 96  H6 97)
 &rst iat=  -1,1477, r1= 2.38, r2= 2.88, r3= 5.38, r4= 5.88,
 igr1=1480,1512,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:38   97 DT    H7     1.72  2.86	 (# 	1.12	  H6 97  H6 96)
 &rst iat=  -1,  -1, r1= 1.22, r2= 1.72, r3= 3.77, r4= 4.27,
 igr1=1512,1480,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1515,1516,1517,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:151  99 DG    H8     2.26  3.76	 (# 	1.12	  H2'2 99  H2'2 98)
 &rst iat=  -1,1577, r1= 1.76, r2= 2.26, r3= 4.21, r4= 4.71,
 igr1=1561,1594,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:60   99 DG    H8     2.01  3.35	 (# 	1.12	  H2'2 99  H2'2 98)
 &rst iat=  -1,1577, r1= 1.51, r2= 2.01, r3= 3.75, r4= 4.25,
 igr1=1594,1561,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:171 100 DA    H8     1.96  3.26	 (# 	1.12	  H2'2 99  H2'2 100)
 &rst iat=  -1,1610, r1= 1.46, r2= 1.96, r3= 3.65, r4= 4.15,
 igr1=1594,1626,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:172 100 DA    H8     1.98  3.28	 (# 	1.12	  H2'1 99  H2'1 100)
 &rst iat=  -1,1610, r1= 1.48, r2= 1.98, r3= 3.67, r4= 4.17,
 igr1=1593,1625,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:75  100 DA    H8     1.83  3.05	 (# 	1.12	  H2'1 100  H2'1 99)
 &rst iat=  -1,1610, r1= 1.33, r2= 1.83, r3= 3.42, r4= 3.92,
 igr1=1625,1593,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:418 101 DT    H6     3.00  5.00	 (# 	1.20	  H4' 100  H5'1 101 H5'2 101)
 &rst iat=  -1,1642, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50,
 igr1=1604,1633,1634,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:356 102 DG    H8     3.00  5.00	 (# 	1.12	  H3' 101  H3' 102)
 &rst iat=  -1,1674, r1= 2.50, r2= 3.00, r3= 5.60, r4= 6.10,
 igr1=1655,1688,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:221 103 DG    H1'    2.88  3.90	 (# 	1.12	  H8 103  H8 104)
 &rst iat=  -1,1704, r1= 2.38, r2= 2.88, r3= 4.37, r4= 4.87,
 igr1=1707,1740,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:404 103 DG    H4'    3.00  5.00	 (# 	1.12	  H8 103  H8 104)
 &rst iat=  -1,1701, r1= 2.50, r2= 3.00, r3= 5.60, r4= 6.10,
 igr1=1707,1740,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:49  103 DG    H2'1   1.69  2.81	 (# 	1.12	  H8 103  H8 104)
 &rst iat=  -1,1723, r1= 1.19, r2= 1.69, r3= 3.15, r4= 3.65,
 igr1=1707,1740,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:50  103 DG    H2'2   1.81  3.01	 (# 	1.12	  H8 103  H8 104)
 &rst iat=  -1,1724, r1= 1.31, r2= 1.81, r3= 3.37, r4= 3.87,
 igr1=1707,1740,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:140 103 DG    H2'1   1.73  2.89	 (# 	1.12	  H8 103  H8 104)
 &rst iat=  -1,1723, r1= 1.23, r2= 1.73, r3= 3.24, r4= 3.74,
 igr1=1707,1740,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:288 103 DG    H1'    3.00  5.00	 (# 	1.12	  H8 103  H8 104)
 &rst iat=  -1,1704, r1= 2.50, r2= 3.00, r3= 5.60, r4= 6.10,
 igr1=1707,1740,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:121 109 DC    H6     1.67  2.77	 (# 	1.12	  H2'1 108  H2'1 109)
 &rst iat=  -1,1900, r1= 1.17, r2= 1.67, r3= 3.10, r4= 3.60,
 igr1=1883,1913,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:29  109 DC    H6     1.60  2.66	 (# 	1.12	  H2'1 109  H2'1 108)
 &rst iat=  -1,1900, r1= 1.10, r2= 1.60, r3= 2.98, r4= 3.48,
 igr1=1913,1883,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:169 110 DG3   H8     2.16  4.50	 (# 	1.12	  H2'1 110  H2'2 109)
 &rst iat=  -1,1930, r1= 1.66, r2= 2.16, r3= 5.04, r4= 5.54,
 igr1=1946,1914,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:73  110 DG3   H2'1   2.02  4.20	 (# 	1.12	  H8 110  H8 102)
 &rst iat=  -1,1946, r1= 1.52, r2= 2.02, r3= 4.70, r4= 5.20,
 igr1=1930,1674,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:182 112 DG    H8     2.64  4.40	 (# 	1.12	  H2'1 112  H2'2 112)
 &rst iat=  -1,1992, r1= 2.14, r2= 2.64, r3= 4.93, r4= 5.43,
 igr1=2008,2009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:287 112 DG    H1'    1.96  3.26	 (# 	1.12	  H2'1 112  H2'2 112)
 &rst iat=  -1,1989, r1= 1.46, r2= 1.96, r3= 3.65, r4= 4.15,
 igr1=2008,2009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:165 113 DG    H8     2.17  3.62	 (# 	1.12	  H2'1 112  H2'2 113)
 &rst iat=  -1,2025, r1= 1.67, r2= 2.17, r3= 4.05, r4= 4.55,
 igr1=2008,2042,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:68  113 DG    H8     1.78  2.98	 (# 	1.12	  H2'1 112  H2'2 112)
 &rst iat=  -1,2025, r1= 1.28, r2= 1.78, r3= 3.34, r4= 3.84,
 igr1=2008,2009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:306 114 DT    H6     3.00  5.00	 (# 	1.12	  H1' 113  H1' 114)
 &rst iat=  -1,2058, r1= 2.50, r2= 3.00, r3= 5.60, r4= 6.10,
 igr1=2022,2055,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:239 114 DT    H6     2.61  3.53	 (# 	1.12	  H1' 113  H1' 114)
 &rst iat=  -1,2058, r1= 2.11, r2= 2.61, r3= 3.95, r4= 4.45,
 igr1=2022,2055,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:124 115 DC    H6     1.78  2.98	 (# 	1.12	  H2'1 114  H2'1 115)
 &rst iat=  -1,2090, r1= 1.28, r2= 1.78, r3= 3.34, r4= 3.84,
 igr1=2073,2103,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:32  115 DC    H6     1.85  3.09	 (# 	1.12	  H2'1 115  H2'1 114)
 &rst iat=  -1,2090, r1= 1.35, r2= 1.85, r3= 3.46, r4= 3.96,
 igr1=2103,2073,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:410 115 DC    H6     3.00  5.00	 (# 	1.12	  H4' 115  H4' 114)
 &rst iat=  -1,2090, r1= 2.50, r2= 3.00, r3= 5.60, r4= 6.10,
 igr1=2084,2052,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:147 118 DC    H6     1.78  2.98	 (# 	1.12	  H2'1 118  H2'1 117)
 &rst iat=  -1,2182, r1= 1.28, r2= 1.78, r3= 3.34, r4= 3.84,
 igr1=2195,2165,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:246 118 DC    H1'    2.83  3.83	 (# 	1.12	  H6 118  H6 119)
 &rst iat=  -1,2179, r1= 2.33, r2= 2.83, r3= 4.29, r4= 4.79,
 igr1=2182,2212,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:364 118 DC    H6     2.20  3.66	 (# 	1.12	  H3' 118  H3' 117)
 &rst iat=  -1,2182, r1= 1.70, r2= 2.20, r3= 4.10, r4= 4.60,
 igr1=2193,2163,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:139 119 DC    H6     2.06  3.42	 (# 	1.12	  H2'2 118  H2'2 119)
 &rst iat=  -1,2212, r1= 1.56, r2= 2.06, r3= 3.83, r4= 4.33,
 igr1=2196,2226,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:44  119 DC    H6     1.87  3.11	 (# 	1.12	  H2'2 119  H2'2 118)
 &rst iat=  -1,2212, r1= 1.37, r2= 1.87, r3= 3.48, r4= 3.98,
 igr1=2226,2196,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:388 120 DA    H8     3.00  5.00	 (# 	1.20	  H5'1 120 H5'2 120  H4' 119)
 &rst iat=  -1,2242, r1= 2.50, r2= 3.00, r3= 6.00, r4= 6.50,
 igr1=2233,2234,2206,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:362 122 DC    H6     2.76  4.60	 (# 	1.12	  H3' 121  H3' 122)
 &rst iat=  -1,2306, r1= 2.26, r2= 2.76, r3= 5.15, r4= 5.65,
 igr1=2287,2317,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:258 124 DA    H1'    3.00  5.00	 (# 	1.12	  H8 124  H8 125)
 &rst iat=  -1,2363, r1= 2.50, r2= 3.00, r3= 5.60, r4= 6.10,
 igr1=2366,2398,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:80  124 DA    H2'2   2.25  4.67	 (# 	1.12	  H8 124  H8 125)
 &rst iat=  -1,2382, r1= 1.75, r2= 2.25, r3= 5.23, r4= 5.73,
 igr1=2366,2398,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:178 124 DA    H2'2   2.63  5.47	 (# 	1.12	  H8 124  H8 125)
 &rst iat=  -1,2382, r1= 2.13, r2= 2.63, r3= 6.13, r4= 6.63,
 igr1=2366,2398,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   2:326 124 DA    H1'    3.00  5.00	 (# 	1.12	  H8 124  H8 125)
 &rst iat=  -1,2363, r1= 2.50, r2= 3.00, r3= 5.60, r4= 6.10,
 igr1=2366,2398,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB   1:79  125 DA3   H2'2   3.00  5.00	 (# 	1.12	  H8 124  H8 125)
 &rst iat=  -1,2414, r1= 2.50, r2= 3.00, r3= 5.60, r4= 6.10,
 igr1=2366,2398,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:5    23 ALA MB               6.00	 (# 5 -16.2295 was 5 mf)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.55, r4= 8.05,

      rk2=20.0, rk3=20.0, ir6=1,
 igr1=1707,1740,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 364, 365, 366,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:63    0 AMB 2:63             5.00	 (# 63 27.8689)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=2176,1668,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1268,1269, 430, 431,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:125  17 LYS HD2              5.00	 (# 125 45.9016)
 &rst iat=  -1, 252, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=2008,2009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:126  17 LYS HD3              5.00	 (# 126 29.5082)
 &rst iat=  -1, 253, r1= 1.30, r2= 1.80, r3= 5.60, r4= 6.10,
 igr1=2008,2009,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:56    0 AMB 2:56             5.00	 (# 56 7.04918)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.06, r4= 7.56,
 igr1=2274,2058,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1290,1291, 255, 256,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:196  73 LEU MDY              5.00	 (# 196 2.45902)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr1=1535,1536,1568,1569,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1108,1109,1110,1112,1113,1114,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:23   79 ALA MB               6.00	 (# 23 -13.6066 was 5 mf pew)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 8.50, r4= 9.00,
 igr1=2173,2174,2203,2204,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:4	79 ALA MB		4.5	 (# 4 348 mf)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.78, r4= 6.28,
 igr1=2182,2212,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:219  79 ALA HA		6.0	 (# 219 5.2 mf)
 &rst iat=  -1,1214, r1= 1.30, r2= 1.80, r3= 6.72, r4= 7.22,
 igr1=2182,2212,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB	1:7	79 ALA MB		4.0	 (# 7 96.3 mf)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.18, r4= 5.68,
 igr1=2196,2226,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1216,1217,1218,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:130   0 AMB 2:130            3.00	 (# 130 337.475)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,

      rk2=20.0, rk3=20.0, ir6=1,
 igr1= 824, 825,1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 807,1214,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  53 ARG HD+     0 AMB 2:164            4.00	 (# 164 129.838)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.35, r4= 6.85,
 igr1= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,1645,1646,1647,   0,   0,   0,   &end
#
#  19 TRP HB+     0 AMB 2:330            5.00	 (# 330 56.3108)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 282, 283,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 297, 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 THR MG2     0 AMB 2:289            3.00	 (# 289 314.049)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.61, r4= 5.11,
 igr1=1168,1169,1170,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184, 962, 963,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  19 TRP HA      0 AMB 2:311            5.00	 (# 311 43.074)
 &rst iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 297, 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  53 ARG HG-     0 AMB 2:150            5.00	 (# 150 98.6976)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr1= 824, 825,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184, 878, 879, 880, 882, 883, 884,   0,   0,   0,   &end
#
#   0 AMB 1:319   0 AMB 2:319            3.00	 (# 319 749.838)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.03, r4= 4.53,
 igr1= 280, 372,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 282, 283, 375,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  76 THR HB      0 AMB 2:277            4.00	 (# 277 286.319)
 &rst iat=1166,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184, 878, 879, 880, 882, 883, 884, 962, 963,   0,   &end
#
#  76 THR HA      0 AMB 2:274            4.00	 (# 274 144.456)
 &rst iat=1164,  -1, r1= 1.30, r2= 1.80, r3= 5.96, r4= 6.46,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1182,1183,1184, 878, 879, 880, 882, 883, 884, 962, 963,   0,   &end
#
#  19 TRP HB-     0 AMB 2:331            5.00	 (# 331 24.348)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.57, r4= 7.07,
 igr1= 282, 283,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 297, 538, 542,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:253   0 AMB 2:253            3.00	 (# 253 610.754)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 5.08, r4= 5.58,
 igr1= 345,1352, 389,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 396, 397, 398, 400, 401, 402,1435,1436,   0,   0,   0,   0,   &end
#
#  53 ARG HD-     0 AMB 2:165            5.00	 (# 165 83.9818)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.88, r4= 8.38,
 igr1= 827, 828,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 878, 879, 880, 882, 883, 884,1645,1646,1647,   0,   0,   0,   &end
#
#  65 THR MG2     0 AMB 2:221            3.00	 (# 221 406.845)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.94, r4= 4.44,
 igr1=1017,1018,1019,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2=1013,1089,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:310   0 AMB 2:310            3.00	 (# 310 665.783)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 4.23, r4= 4.73,
 igr1= 669, 670,1290,1291,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 574, 633,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:317   0 AMB 2:317            3.00	 (# 317 344.348)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 3.76, r4= 4.26,
 igr1= 280, 372,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 724, 374,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:138   0 AMB 2:138            4.00	 (# 138 170.668)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 6.05, r4= 6.55,
 igr1= 824, 825, 663, 664,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 845, 846, 567,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  19 TRP HA      0 AMB 2:316            5.00	 (# 316 92.1989)
 &rst iat= 280,  -1, r1= 1.30, r2= 1.80, r3= 6.00, r4= 6.50,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 515, 516, 723,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#   0 AMB 1:137   0 AMB 2:137            5.00	 (# 137 24.1652)
 &rst iat=  -1,  -1, r1= 1.30, r2= 1.80, r3= 7.94, r4= 8.44,
 igr1= 249, 250,1262,1263,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 232, 233,1320,1321,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  17 LYS H       0 AMB 2:97             5.00	 (# 97 131.219)
 &rst iat= 242,  -1, r1= 1.30, r2= 1.80, r3= 6.30, r4= 6.80,

      rk2=20.0, rk3=20.0, ir6=1,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 255, 256,2008,2009,   0,   0,   0,   0,   0,   0,   0,   0,   &end
#
#  51 LEU H       0 AMB 2:671            4.00	 (# 671 654.331)
 &rst iat= 784,  -1, r1= 1.30, r2= 1.80, r3= 4.80, r4= 5.30,
 igr1=   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,   0,
 igr2= 766, 817, 730,   0,   0,   0,   0,   0,   0,   0,   0,   0,   &end


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