NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type subtype subsubtype
611254 5l06 30148 cing 1-original 2 AMBER distance NOE simple


# Restraints file 2: RST
#RESTRAINTS FOR AVERAGE NOE'S
#
# 1	DC	H1'	1	DC	H2''	2.34	3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  27, r1= 1.84, r2= 2.34, r3= 3.34, r4= 3.84, 
      rk2=32.0, rk3=32.0, ir6=1, ialtd=0,
 &end
#
# 1	DC	H1'	2	DG	H8	3.48	4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  43, r1= 2.98, r2= 3.48, r3= 4.88, r4= 5.38,  &end
# 1	DC	H2'	1	DC	H4'	2.41	3.81
 &rst
  ixpk= 0, nxpk= 0, iat=  26,   7, r1= 1.91, r2= 2.41, r3= 3.81, r4= 4.31,  &end
#
# 1	DC	H2'	1	DC	H6	2.30	3.30
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  13, r1= 1.80, r2= 2.30, r3= 3.30, r4= 3.80,  &end
#
# 2	DG	H1'	2	DG	H2''	2.28	3.28
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  60, r1= 1.78, r2= 2.28, r3= 3.28, r4= 3.78,  &end
#
# 2	DG	H1'	2	DG	H2'	2.37	3.77
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  59, r1= 1.87, r2= 2.37, r3= 3.77, r4= 4.27,  &end
#
# 2	DG	H1'	2	DG	H4'	2.73	4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  37, r1= 2.23, r2= 2.73, r3= 4.13, r4= 4.63,  &end
#
# 2	DG	H1'	2	DG	H8	3.05	4.45
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  43, r1= 2.55, r2= 3.05, r3= 4.45, r4= 4.95,  &end
#
# 2	DG	H1'	3	DMC	H6	3.01	4.41
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  90, r1= 2.51, r2= 3.01, r3= 4.41, r4= 4.91,  &end
#
# 2	DG	H2'	2	DG	H8	2.16	3.16
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  43, r1= 1.66, r2= 2.16, r3= 3.16, r4= 3.66,  &end
#
# 2	DG	H2''	2	DG	H8	2.43	3.83
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  43, r1= 1.93, r2= 2.43, r3= 3.83, r4= 4.33,  &end
#
# 2	DG	H2''	3	DMC	H6	2.52	3.92
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  90, r1= 2.02, r2= 2.52, r3= 3.92, r4= 4.42,  &end
#
# 2	DG	H2'	3	DMC	H6	2.99	4.39
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  90, r1= 2.49, r2= 2.99, r3= 4.39, r4= 4.89,  &end
#
# 2	DG	H2'	3	DMC	M7	2.59	3.99
 &rst
  ixpk= 0, nxpk= 0, iat=  59,  -1, r1= 2.09, r2= 2.59, r3= 4.79, r4= 5.29,
 igr2=  91,  92,  93,
 &end
#
# 2	DG	H2''	3	DMC	M7	2.77	4.17
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  -1, r1= 2.27, r2= 2.77, r3= 5.01, r4= 5.51,
 igr2=  91,  92,  93,
 &end
#
# 2	DG	H3'	2	DG	H8	2.88	4.28
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  43, r1= 2.38, r2= 2.88, r3= 4.28, r4= 4.78,  &end
#
# 2	DG	H8	3	DMC	H6	3.62	5.02
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  90, r1= 3.12, r2= 3.62, r3= 5.02, r4= 5.52,  &end
#
# 2	DG	H8	3	DMC	M7	2.51	3.91
 &rst
  ixpk= 0, nxpk= 0, iat=  43,  -1, r1= 2.01, r2= 2.51, r3= 4.70, r4= 5.20,
 igr2=  91,  92,  93,
 &end
#
# 3	DMC	H1'	3	DMC	H2''	2.34	3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  75, r1= 1.84, r2= 2.34, r3= 3.34, r4= 3.84,  &end
#
# 3	DMC	H1'	3	DMC	H2'	2.91	4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  74, r1= 2.41, r2= 2.91, r3= 4.31, r4= 4.81,  &end
#
# 3	DMC	H1'	3	DMC	H6	3.20	4.60
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  90, r1= 2.70, r2= 3.20, r3= 4.60, r4= 5.10,  &end
#
# 3	DMC	H1'	4	DG	H8	3.55	4.95
 &rst
  ixpk= 0, nxpk= 0, iat=  77, 109, r1= 3.05, r2= 3.55, r3= 4.95, r4= 5.45,  &end
#
# 3	DMC	H2'	3	DMC	H6	2.36	3.36
 &rst
  ixpk= 0, nxpk= 0, iat=  74,  90, r1= 1.86, r2= 2.36, r3= 3.36, r4= 3.86,  &end
#
# 3	DMC	H2''	3	DMC	H6	2.73	4.13
 &rst
  ixpk= 0, nxpk= 0, iat=  75,  90, r1= 2.23, r2= 2.73, r3= 4.13, r4= 4.63,  &end
#
# 3	DMC	H2''	4	DG	H8	3.04	4.44
 &rst
  ixpk= 0, nxpk= 0, iat=  75, 109, r1= 2.54, r2= 3.04, r3= 4.44, r4= 4.94,  &end
#
# 3	DMC	H2'	4	DG	H8	3.08	4.48
 &rst
  ixpk= 0, nxpk= 0, iat=  74, 109, r1= 2.58, r2= 3.08, r3= 4.48, r4= 4.98,  &end
#
# 3	DMC	H4'	3	DMC	H6	3.68	5.08
 &rst
  ixpk= 0, nxpk= 0, iat=  70,  90, r1= 3.18, r2= 3.68, r3= 5.08, r4= 5.58,  &end
#
# 3	DMC	H6	4	DG	H8	4.00	5.40
 &rst
  ixpk= 0, nxpk= 0, iat=  90, 109, r1= 3.50, r2= 4.00, r3= 5.40, r4= 5.90,  &end
#
# 3	DMC	M7	3	DMC	H6	2.34	3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  90, r1= 1.84, r2= 2.34, r3= 4.01, r4= 4.51,
 igr1=  91,  92,  93,
 &end
#
# 4	DG	H1'	4	DG	H8	3.09	4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 109, r1= 2.59, r2= 3.09, r3= 4.49, r4= 4.99,  &end
#
# 4	DG	H1'	5	DA	H8	2.71	4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 142, r1= 2.21, r2= 2.71, r3= 4.11, r4= 4.61,  &end
#
# 4	DG	H2'	5	DA	H8	1.93	2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 142, r1= 1.43, r2= 1.93, r3= 2.93, r4= 3.43,  &end
#
# 4	DG	H3'	4	DG	H8	2.96	4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 123, 109, r1= 2.46, r2= 2.96, r3= 4.36, r4= 4.86,  &end
#
# 5	DA	H1'	5	DA	H2''	2.29	3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 158, r1= 1.79, r2= 2.29, r3= 3.29, r4= 3.79,  &end
#
# 5	DA	H1'	5	DA	H2'	2.39	3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 157, r1= 1.89, r2= 2.39, r3= 3.79, r4= 4.29,  &end
#
# 5	DA	H1'	5	DA	H4'	2.56	3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 136, r1= 2.06, r2= 2.56, r3= 3.96, r4= 4.46,  &end
#
# 5	DA	H1'	5	DA	H8	2.50	3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 142, r1= 2.00, r2= 2.50, r3= 3.90, r4= 4.40,  &end
#
# 5	DA	H1'	6	DA	H8	2.50	3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 174, r1= 2.00, r2= 2.50, r3= 3.90, r4= 4.40,  &end
#
# 5	DA	H2''	5	DA	H3'	2.38	3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 155, r1= 1.88, r2= 2.38, r3= 3.78, r4= 4.28,  &end
#
# 5	DA	H2'	5	DA	H8	1.94	2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 157, 142, r1= 1.44, r2= 1.94, r3= 2.94, r4= 3.44,  &end
#
# 5	DA	H2	6	DA	H1'	3.91	5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 171, r1= 3.41, r2= 3.91, r3= 5.31, r4= 5.81,  &end
#
# 5	DA	H2''	6	DA	H8	2.07	3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 158, 174, r1= 1.57, r2= 2.07, r3= 3.07, r4= 3.57,  &end
#
# 5	DA	H3'	5	DA	H4'	2.32	3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 136, r1= 1.82, r2= 2.32, r3= 3.72, r4= 4.22,  &end
#
# 6	DA	H1'	6	DA	H2''	2.28	3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 190, r1= 1.78, r2= 2.28, r3= 3.28, r4= 3.78,  &end
#
# 6	DA	H1'	6	DA	H2'	2.46	3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 189, r1= 1.96, r2= 2.46, r3= 3.46, r4= 3.96,  &end
#
# 6	DA	H1'	6	DA	H4'	2.52	3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 168, r1= 2.02, r2= 2.52, r3= 3.92, r4= 4.42,  &end
#
# 6	DA	H1'	6	DA	H8	3.06	4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 174, r1= 2.56, r2= 3.06, r3= 4.46, r4= 4.96,  &end
#
# 6	DA	H1'	7	DT	H6	3.00	4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 206, r1= 2.50, r2= 3.00, r3= 4.40, r4= 4.90,  &end
#
# 6	DA	H2	20	DT	H1'	3.40	4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 617, r1= 2.90, r2= 3.40, r3= 4.80, r4= 5.30,  &end
#
# 6	DA	H2'	6	DA	H3'	2.27	3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 189, 187, r1= 1.77, r2= 2.27, r3= 3.27, r4= 3.77,  &end
#
# 6	DA	H2''	6	DA	H3'	2.36	3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 190, 187, r1= 1.86, r2= 2.36, r3= 3.36, r4= 3.86,  &end
#
# 6	DA	H2	7	DT	H1'	3.20	4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 183, 203, r1= 2.70, r2= 3.20, r3= 4.60, r4= 5.10,  &end
#
# 6	DA	H2''	7	DT	M7	2.46	3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 190,  -1, r1= 1.96, r2= 2.46, r3= 4.64, r4= 5.14,
 igr2= 209, 210, 211,
 &end
#
# 6	DA	H3'	6	DA	H4'	2.48	3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 168, r1= 1.98, r2= 2.48, r3= 3.48, r4= 3.98,  &end
#
# 6	DA	H3'	7	DT	H6	3.87	5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 206, r1= 3.37, r2= 3.87, r3= 5.27, r4= 5.77,  &end
#
# 6	DA	H3'	7	DT	M7	3.07	4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 187,  -1, r1= 2.57, r2= 3.07, r3= 5.37, r4= 5.87,
 igr2= 209, 210, 211,
 &end
#
# 6	DA	H8	7	DT	H6	3.58	4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 174, 206, r1= 3.08, r2= 3.58, r3= 4.98, r4= 5.48,  &end
#
# 6	DA	H8	7	DT	M7	2.46	3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 174,  -1, r1= 1.96, r2= 2.46, r3= 4.64, r4= 5.14,
 igr2= 209, 210, 211,
 &end
#
# 7	DT	H1'	7	DT	H2''	2.34	3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 222, r1= 1.84, r2= 2.34, r3= 3.34, r4= 3.84,  &end
#
# 7	DT	H1'	7	DT	H4'	2.34	3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 200, r1= 1.84, r2= 2.34, r3= 3.74, r4= 4.24,  &end
#
# 7	DT	H1'	7	DT	H6	3.39	4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 206, r1= 2.89, r2= 3.39, r3= 4.79, r4= 5.29,  &end
#
# 7	DT	H1'	8	DT	H6	3.37	4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 238, r1= 2.87, r2= 3.37, r3= 4.77, r4= 5.27,  &end
#
# 7	DT	H2''	7	DT	H3'	2.56	3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 222, 219, r1= 2.06, r2= 2.56, r3= 3.96, r4= 4.46,  &end
#
# 7	DT	H2'	7	DT	H6	2.45	3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 206, r1= 1.95, r2= 2.45, r3= 3.45, r4= 3.95,  &end
#
# 7	DT	H2'	8	DT	H6	2.82	4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 221, 238, r1= 2.32, r2= 2.82, r3= 4.22, r4= 4.72,  &end
#
# 7	DT	H2'	8	DT	M7	2.67	4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 221,  -1, r1= 2.17, r2= 2.67, r3= 4.89, r4= 5.39,
 igr2= 241, 242, 243,
 &end
#
# 7	DT	H3'	7	DT	H6	3.94	5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 206, r1= 3.44, r2= 3.94, r3= 5.34, r4= 5.84,  &end
#
# 7	DT	H6	8	DT	M7	2.51	3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 206,  -1, r1= 2.01, r2= 2.51, r3= 4.70, r4= 5.20,
 igr2= 241, 242, 243,
 &end
#
# 7	DT	M7	7	DT	H6	2.39	3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 206, r1= 1.89, r2= 2.39, r3= 4.07, r4= 4.57,
 igr1= 209, 210, 211,
 &end
#
# 8	DT	H1'	18	DA	H2	3.40	4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 565, r1= 2.90, r2= 3.40, r3= 4.80, r4= 5.30,  &end
#
# 8	DT	H1'	8	DT	H4'	2.39	3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 232, r1= 1.89, r2= 2.39, r3= 3.79, r4= 4.29,  &end
#
# 8	DT	H1'	8	DT	H6	3.23	4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 238, r1= 2.73, r2= 3.23, r3= 4.63, r4= 5.13,  &end
#
# 8	DT	H2'	8	DT	H3'	2.40	3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 251, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 8	DT	H2''	8	DT	H3'	2.45	3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 251, r1= 1.95, r2= 2.45, r3= 3.85, r4= 4.35,  &end
#
# 8	DT	H2''	9	DMC	H5	2.70	4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 272, r1= 2.20, r2= 2.70, r3= 4.10, r4= 4.60,  &end
#
# 8	DT	H2'	9	DMC	H5	2.85	4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 272, r1= 2.35, r2= 2.85, r3= 4.25, r4= 4.75,  &end
#
# 8	DT	H2''	9	DMC	H6	2.37	3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 254, 270, r1= 1.87, r2= 2.37, r3= 3.77, r4= 4.27,  &end
#
# 8	DT	H2'	9	DMC	H6	2.61	4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 253, 270, r1= 2.11, r2= 2.61, r3= 4.01, r4= 4.51,  &end
#
# 8	DT	H3'	8	DT	H6	2.93	4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 238, r1= 2.43, r2= 2.93, r3= 4.33, r4= 4.83,  &end
#
# 8	DT	H4'	8	DT	H6	3.50	4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 232, 238, r1= 3.00, r2= 3.50, r3= 4.90, r4= 5.40,  &end
#
# 8	DT	H6	9	DMC	H5	3.24	4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 238, 272, r1= 2.74, r2= 3.24, r3= 4.64, r4= 5.14,  &end
#
# 8	DT	M7	8	DT	H6	2.42	3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 238, r1= 1.92, r2= 2.42, r3= 4.11, r4= 4.61,
 igr1= 241, 242, 243,
 &end
#
# 8	DT	M7	9	DMC	H5	3.18	4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 272, r1= 2.68, r2= 3.18, r3= 5.50, r4= 6.00,
 igr1= 241, 242, 243,
 &end
#
# 9	DMC	H1'	10	DG	H8	3.31	4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 300, r1= 2.81, r2= 3.31, r3= 4.71, r4= 5.21,  &end
#
# 9	DMC	H1'	9	DMC	H2''	2.28	3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 284, r1= 1.78, r2= 2.28, r3= 3.28, r4= 3.78,  &end
#
# 9	DMC	H1'	9	DMC	H2'	2.54	3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 283, r1= 2.04, r2= 2.54, r3= 3.94, r4= 4.44,  &end
#
# 9	DMC	H2''	10	DG	H8	2.66	4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 300, r1= 2.16, r2= 2.66, r3= 4.06, r4= 4.56,  &end
#
# 9	DMC	H2'	10	DG	H8	2.90	4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 300, r1= 2.40, r2= 2.90, r3= 4.30, r4= 4.80,  &end
#
# 9	DMC	H2''	9	DMC	H3'	2.56	3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 281, r1= 2.06, r2= 2.56, r3= 3.96, r4= 4.46,  &end
#
# 9	DMC	H2'	9	DMC	H6	2.20	3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 283, 270, r1= 1.70, r2= 2.20, r3= 3.20, r4= 3.70,  &end
#
# 9	DMC	H2''	9	DMC	H6	2.44	3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 284, 270, r1= 1.94, r2= 2.44, r3= 3.84, r4= 4.34,  &end
#
# 9	DMC	H3'	10	DG	H8	3.71	5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 300, r1= 3.21, r2= 3.71, r3= 5.11, r4= 5.61,  &end
#
# 9	DMC	H3'	9	DMC	H6	2.75	4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 281, 270, r1= 2.25, r2= 2.75, r3= 4.15, r4= 4.65,  &end
#
# 9	DMC	H5	9	DMC	H6	2.27	3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 272, 270, r1= 1.77, r2= 2.27, r3= 3.27, r4= 3.77,  &end
#
# 10	DG	H1'	10	DG	H2'	2.31	3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 316, r1= 1.81, r2= 2.31, r3= 3.71, r4= 4.21,  &end
#
# 10	DG	H1'	10	DG	H2''	2.32	3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 317, r1= 1.82, r2= 2.32, r3= 3.32, r4= 3.82,  &end
#
# 10	DG	H1'	10	DG	H4'	2.79	4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 294, r1= 2.29, r2= 2.79, r3= 4.19, r4= 4.69,  &end
#
# 10	DG	H1'	10	DG	H8	3.00	4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 300, r1= 2.50, r2= 3.00, r3= 4.40, r4= 4.90,  &end
#
# 10	DG	H1'	11	DC	H6	2.84	4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 333, r1= 2.34, r2= 2.84, r3= 4.24, r4= 4.74,  &end
#
# 10	DG	H2'	10	DG	H8	2.13	3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 316, 300, r1= 1.63, r2= 2.13, r3= 3.13, r4= 3.63,  &end
#
# 10	DG	H3'	10	DG	H8	2.93	4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 300, r1= 2.43, r2= 2.93, r3= 4.33, r4= 4.83,  &end
#
# 10	DG	H4'	10	DG	H8	3.97	5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 294, 300, r1= 3.47, r2= 3.97, r3= 5.37, r4= 5.87,  &end
#
# 10	DG	H8	11	DC	H5	3.21	4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 335, r1= 2.71, r2= 3.21, r3= 4.61, r4= 5.11,  &end
#
# 11	DC	H1'	11	DC	H2''	2.23	3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 347, r1= 1.73, r2= 2.23, r3= 3.23, r4= 3.73,  &end
#
# 11	DC	H1'	11	DC	H2'	2.41	3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 346, r1= 1.91, r2= 2.41, r3= 3.81, r4= 4.31,  &end
#
# 11	DC	H1'	11	DC	H6	3.00	4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 333, r1= 2.50, r2= 3.00, r3= 4.40, r4= 4.90,  &end
#
# 11	DC	H1'	12	DG	H8	3.22	4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 330, 363, r1= 2.72, r2= 3.22, r3= 4.62, r4= 5.12,  &end
#
# 11	DC	H2'	11	DC	H3'	2.48	3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 344, r1= 1.98, r2= 2.48, r3= 3.48, r4= 3.98,  &end
#
# 11	DC	H2''	11	DC	H3'	2.59	3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 344, r1= 2.09, r2= 2.59, r3= 3.99, r4= 4.49,  &end
#
# 11	DC	H2'	11	DC	H6	2.23	3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 333, r1= 1.73, r2= 2.23, r3= 3.23, r4= 3.73,  &end
#
# 11	DC	H2''	11	DC	H6	2.48	3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 333, r1= 1.98, r2= 2.48, r3= 3.88, r4= 4.38,  &end
#
# 11	DC	H2''	12	DG	H8	2.30	3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 347, 363, r1= 1.80, r2= 2.30, r3= 3.70, r4= 4.20,  &end
#
# 11	DC	H2'	12	DG	H8	2.89	4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 363, r1= 2.39, r2= 2.89, r3= 4.29, r4= 4.79,  &end
#
# 11	DC	H3'	11	DC	H6	3.11	4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 344, 333, r1= 2.61, r2= 3.11, r3= 4.51, r4= 5.01,  &end
#
# 11	DC	H5	11	DC	H6	2.27	3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 333, r1= 1.77, r2= 2.27, r3= 3.27, r4= 3.77,  &end
#
# 12	DG	H1'	12	DG	H2''	2.15	3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 380, r1= 1.65, r2= 2.15, r3= 3.15, r4= 3.65,  &end
#
# 12	DG	H1'	12	DG	H2'	2.35	3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 379, r1= 1.85, r2= 2.35, r3= 3.35, r4= 3.85,  &end
#
# 12	DG	H1'	12	DG	H8	3.07	4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 363, r1= 2.57, r2= 3.07, r3= 4.47, r4= 4.97,  &end
#
# 12	DG	H2'	12	DG	H4'	2.37	3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 357, r1= 1.87, r2= 2.37, r3= 3.77, r4= 4.27,  &end
#
# 12	DG	H2'	12	DG	H8	2.21	3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 363, r1= 1.71, r2= 2.21, r3= 3.21, r4= 3.71,  &end
#
# 12	DG	H2''	12	DG	H8	2.30	3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 380, 363, r1= 1.80, r2= 2.30, r3= 3.70, r4= 4.20,  &end
#
# 12	DG	H3'	12	DG	H8	3.62	5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 377, 363, r1= 3.12, r2= 3.62, r3= 5.02, r4= 5.52,  &end
#
# 13	DC	H1'	13	DC	H2''	2.34	3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 409, r1= 1.84, r2= 2.34, r3= 3.34, r4= 3.84,  &end
#
# 13	DC	H1'	14	DG	H8	3.48	4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 425, r1= 2.98, r2= 3.48, r3= 4.88, r4= 5.38,  &end
#
# 13	DC	H2'	13	DC	H4'	2.41	3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 389, r1= 1.91, r2= 2.41, r3= 3.81, r4= 4.31,  &end
#
# 13	DC	H2'	13	DC	H6	2.30	3.30
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 395, r1= 1.80, r2= 2.30, r3= 3.30, r4= 3.80,  &end
#
# 13	DC	H2'	14	DG	H8	2.91	4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 408, 425, r1= 2.41, r2= 2.91, r3= 4.31, r4= 4.81,  &end
#
# 14	DG	H1'	14	DG	H2''	2.28	3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 442, r1= 1.78, r2= 2.28, r3= 3.28, r4= 3.78,  &end
#
# 14	DG	H1'	14	DG	H2'	2.37	3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 441, r1= 1.87, r2= 2.37, r3= 3.77, r4= 4.27,  &end
#
# 14	DG	H1'	14	DG	H4'	2.73	4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 419, r1= 2.23, r2= 2.73, r3= 4.13, r4= 4.63,  &end
#
# 14	DG	H1'	14	DG	H8	3.05	4.45
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 425, r1= 2.55, r2= 3.05, r3= 4.45, r4= 4.95,  &end
#
# 14	DG	H1'	15	DMC	H6	3.01	4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 472, r1= 2.51, r2= 3.01, r3= 4.41, r4= 4.91,  &end
#
# 14	DG	H2'	14	DG	H8	2.16	3.16
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 425, r1= 1.66, r2= 2.16, r3= 3.16, r4= 3.66,  &end
#
# 14	DG	H2''	14	DG	H8	2.43	3.83
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 425, r1= 1.93, r2= 2.43, r3= 3.83, r4= 4.33,  &end
#
# 14	DG	H2''	15	DMC	H6	2.52	3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 442, 472, r1= 2.02, r2= 2.52, r3= 3.92, r4= 4.42,  &end
#
# 14	DG	H2'	15	DMC	H6	2.99	4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 472, r1= 2.49, r2= 2.99, r3= 4.39, r4= 4.89,  &end
#
# 14	DG	H2'	15	DMC	M7	2.59	3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 441,  -1, r1= 2.09, r2= 2.59, r3= 4.79, r4= 5.29,
 igr2= 473, 474, 475,
 &end
#
# 14	DG	H2''	15	DMC	M7	2.77	4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 442,  -1, r1= 2.27, r2= 2.77, r3= 5.01, r4= 5.51,
 igr2= 473, 474, 475,
 &end
#
# 14	DG	H3'	14	DG	H8	2.88	4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 439, 425, r1= 2.38, r2= 2.88, r3= 4.28, r4= 4.78,  &end
#
# 14	DG	H8	15	DMC	H6	3.62	5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 425, 472, r1= 3.12, r2= 3.62, r3= 5.02, r4= 5.52,  &end
#
# 14	DG	H8	15	DMC	M7	2.51	3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 425,  -1, r1= 2.01, r2= 2.51, r3= 4.70, r4= 5.20,
 igr2= 473, 474, 475,
 &end
#
# 15	DMC	H1'	15	DMC	H2''	2.34	3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 457, r1= 1.84, r2= 2.34, r3= 3.34, r4= 3.84,  &end
#
# 15	DMC	H1'	15	DMC	H2'	2.91	4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 456, r1= 2.41, r2= 2.91, r3= 4.31, r4= 4.81,  &end
#
# 15	DMC	H1'	15	DMC	H6	3.20	4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 472, r1= 2.70, r2= 3.20, r3= 4.60, r4= 5.10,  &end
#
# 15	DMC	H1'	16	DG	H8	3.55	4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 459, 491, r1= 3.05, r2= 3.55, r3= 4.95, r4= 5.45,  &end
#
# 15	DMC	H2'	15	DMC	H6	2.36	3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 472, r1= 1.86, r2= 2.36, r3= 3.36, r4= 3.86,  &end
#
# 15	DMC	H2''	15	DMC	H6	2.73	4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 472, r1= 2.23, r2= 2.73, r3= 4.13, r4= 4.63,  &end
#
# 15	DMC	H2''	16	DG	H8	3.04	4.44
 &rst
  ixpk= 0, nxpk= 0, iat= 457, 491, r1= 2.54, r2= 3.04, r3= 4.44, r4= 4.94,  &end
#
# 15	DMC	H2'	16	DG	H8	3.08	4.48
 &rst
  ixpk= 0, nxpk= 0, iat= 456, 491, r1= 2.58, r2= 3.08, r3= 4.48, r4= 4.98,  &end
#
# 15	DMC	H4'	15	DMC	H6	3.68	5.08
 &rst
  ixpk= 0, nxpk= 0, iat= 452, 472, r1= 3.18, r2= 3.68, r3= 5.08, r4= 5.58,  &end
#
# 15	DMC	H6	16	DG	H8	4.00	5.40
 &rst
  ixpk= 0, nxpk= 0, iat= 472, 491, r1= 3.50, r2= 4.00, r3= 5.40, r4= 5.90,  &end
#
# 15	DMC	M7	15	DMC	H6	2.34	3.34
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 472, r1= 1.84, r2= 2.34, r3= 4.01, r4= 4.51,
 igr1= 473, 474, 475,
 &end
#
# 16	DG	H1'	16	DG	H8	3.09	4.49
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 491, r1= 2.59, r2= 3.09, r3= 4.49, r4= 4.99,  &end
#
# 16	DG	H1'	17	DA	H8	2.71	4.11
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 524, r1= 2.21, r2= 2.71, r3= 4.11, r4= 4.61,  &end
#
# 16	DG	H2'	16	DG	H8	2.25	3.25
 &rst
  ixpk= 0, nxpk= 0, iat= 507, 491, r1= 1.75, r2= 2.25, r3= 3.25, r4= 3.75,  &end
#
# 16	DG	H3'	16	DG	H8	2.96	4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 491, r1= 2.46, r2= 2.96, r3= 4.36, r4= 4.86,  &end
#
# 17	DA	H1'	17	DA	H2''	2.29	3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 540, r1= 1.79, r2= 2.29, r3= 3.29, r4= 3.79,  &end
#
# 17	DA	H1'	17	DA	H2'	2.39	3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 539, r1= 1.89, r2= 2.39, r3= 3.79, r4= 4.29,  &end
#
# 17	DA	H1'	17	DA	H4'	2.56	3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 518, r1= 2.06, r2= 2.56, r3= 3.96, r4= 4.46,  &end
#
# 17	DA	H1'	17	DA	H8	2.50	3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 524, r1= 2.00, r2= 2.50, r3= 3.90, r4= 4.40,  &end
#
# 17	DA	H1'	18	DA	H8	2.50	3.90
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 556, r1= 2.00, r2= 2.50, r3= 3.90, r4= 4.40,  &end
#
# 17	DA	H2''	17	DA	H3'	2.38	3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 537, r1= 1.88, r2= 2.38, r3= 3.78, r4= 4.28,  &end
#
# 17	DA	H2'	17	DA	H8	1.94	2.94
 &rst
  ixpk= 0, nxpk= 0, iat= 539, 524, r1= 1.44, r2= 1.94, r3= 2.94, r4= 3.44,  &end
#
# 17	DA	H2	18	DA	H1'	3.91	5.31
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 553, r1= 3.41, r2= 3.91, r3= 5.31, r4= 5.81,  &end
#
# 17	DA	H2''	18	DA	H8	2.07	3.07
 &rst
  ixpk= 0, nxpk= 0, iat= 540, 556, r1= 1.57, r2= 2.07, r3= 3.07, r4= 3.57,  &end
#
# 17	DA	H3'	17	DA	H4'	2.32	3.72
 &rst
  ixpk= 0, nxpk= 0, iat= 537, 518, r1= 1.82, r2= 2.32, r3= 3.72, r4= 4.22,  &end
#
# 18	DA	H1'	18	DA	H2''	2.28	3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 572, r1= 1.78, r2= 2.28, r3= 3.28, r4= 3.78,  &end
#
# 18	DA	H1'	18	DA	H2'	2.46	3.46
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 571, r1= 1.96, r2= 2.46, r3= 3.46, r4= 3.96,  &end
#
# 18	DA	H1'	18	DA	H4'	2.52	3.92
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 550, r1= 2.02, r2= 2.52, r3= 3.92, r4= 4.42,  &end
#
# 18	DA	H1'	18	DA	H8	3.06	4.46
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 556, r1= 2.56, r2= 3.06, r3= 4.46, r4= 4.96,  &end
#
# 18	DA	H1'	19	DT	H6	3.00	4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 588, r1= 2.50, r2= 3.00, r3= 4.40, r4= 4.90,  &end
#
# 18	DA	H2'	18	DA	H3'	2.27	3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 571, 569, r1= 1.77, r2= 2.27, r3= 3.27, r4= 3.77,  &end
#
# 18	DA	H2''	18	DA	H3'	2.36	3.36
 &rst
  ixpk= 0, nxpk= 0, iat= 572, 569, r1= 1.86, r2= 2.36, r3= 3.36, r4= 3.86,  &end
#
# 18	DA	H2	19	DT	H1'	3.20	4.60
 &rst
  ixpk= 0, nxpk= 0, iat= 565, 585, r1= 2.70, r2= 3.20, r3= 4.60, r4= 5.10,  &end
#
# 18	DA	H2''	19	DT	M7	2.46	3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 572,  -1, r1= 1.96, r2= 2.46, r3= 4.64, r4= 5.14,
 igr2= 591, 592, 593,
 &end
#
# 18	DA	H3'	18	DA	H4'	2.48	3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 550, r1= 1.98, r2= 2.48, r3= 3.48, r4= 3.98,  &end
#
# 18	DA	H3'	19	DT	H6	3.87	5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 569, 588, r1= 3.37, r2= 3.87, r3= 5.27, r4= 5.77,  &end
#
# 18	DA	H3'	19	DT	M7	3.07	4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 569,  -1, r1= 2.57, r2= 3.07, r3= 5.37, r4= 5.87,
 igr2= 591, 592, 593,
 &end
#
# 18	DA	H8	19	DT	H6	3.58	4.98
 &rst
  ixpk= 0, nxpk= 0, iat= 556, 588, r1= 3.08, r2= 3.58, r3= 4.98, r4= 5.48,  &end
#
# 18	DA	H8	19	DT	M7	2.46	3.86
 &rst
  ixpk= 0, nxpk= 0, iat= 556,  -1, r1= 1.96, r2= 2.46, r3= 4.64, r4= 5.14,
 igr2= 591, 592, 593,
 &end
#
# 19	DT	H1'	19	DT	H2''	2.34	3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 604, r1= 1.84, r2= 2.34, r3= 3.34, r4= 3.84,  &end
#
# 19	DT	H1'	19	DT	H4'	2.34	3.74
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 582, r1= 1.84, r2= 2.34, r3= 3.74, r4= 4.24,  &end
#
# 19	DT	H1'	19	DT	H6	3.39	4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 588, r1= 2.89, r2= 3.39, r3= 4.79, r4= 5.29,  &end
#
# 19	DT	H1'	20	DT	H6	3.37	4.77
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 620, r1= 2.87, r2= 3.37, r3= 4.77, r4= 5.27,  &end
#
# 19	DT	H2''	19	DT	H3'	2.56	3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 604, 601, r1= 2.06, r2= 2.56, r3= 3.96, r4= 4.46,  &end
#
# 19	DT	H2'	19	DT	H6	2.45	3.45
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 588, r1= 1.95, r2= 2.45, r3= 3.45, r4= 3.95,  &end
#
# 19	DT	H2'	20	DT	H6	2.82	4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 603, 620, r1= 2.32, r2= 2.82, r3= 4.22, r4= 4.72,  &end
#
# 19	DT	H2'	20	DT	M7	2.67	4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 603,  -1, r1= 2.17, r2= 2.67, r3= 4.89, r4= 5.39,
 igr2= 623, 624, 625,
 &end
#
# 19	DT	H3'	19	DT	H6	3.94	5.34
 &rst
  ixpk= 0, nxpk= 0, iat= 601, 588, r1= 3.44, r2= 3.94, r3= 5.34, r4= 5.84,  &end
#
# 19	DT	H6	20	DT	M7	2.51	3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 588,  -1, r1= 2.01, r2= 2.51, r3= 4.70, r4= 5.20,
 igr2= 623, 624, 625,
 &end
#
# 19	DT	M7	19	DT	H6	2.39	3.39
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 588, r1= 1.89, r2= 2.39, r3= 4.07, r4= 4.57,
 igr1= 591, 592, 593,
 &end
#
# 20	DT	H1'	20	DT	H4'	2.39	3.79
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 614, r1= 1.89, r2= 2.39, r3= 3.79, r4= 4.29,  &end
#
# 20	DT	H1'	20	DT	H6	3.23	4.63
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 620, r1= 2.73, r2= 3.23, r3= 4.63, r4= 5.13,  &end
#
# 20	DT	H2'	20	DT	H3'	2.40	3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 633, r1= 1.90, r2= 2.40, r3= 3.40, r4= 3.90,  &end
#
# 20	DT	H2''	20	DT	H3'	2.45	3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 633, r1= 1.95, r2= 2.45, r3= 3.85, r4= 4.35,  &end
#
# 20	DT	H2''	21	DMC	H5	2.70	4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 654, r1= 2.20, r2= 2.70, r3= 4.10, r4= 4.60,  &end
#
# 20	DT	H2'	21	DMC	H5	2.85	4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 654, r1= 2.35, r2= 2.85, r3= 4.25, r4= 4.75,  &end
#
# 20	DT	H2''	21	DMC	H6	2.37	3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 636, 652, r1= 1.87, r2= 2.37, r3= 3.77, r4= 4.27,  &end
#
# 20	DT	H2'	21	DMC	H6	2.61	4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 635, 652, r1= 2.11, r2= 2.61, r3= 4.01, r4= 4.51,  &end
#
# 20	DT	H3'	20	DT	H6	2.93	4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 633, 620, r1= 2.43, r2= 2.93, r3= 4.33, r4= 4.83,  &end
#
# 20	DT	H4'	20	DT	H6	3.50	4.90
 &rst
  ixpk= 0, nxpk= 0, iat= 614, 620, r1= 3.00, r2= 3.50, r3= 4.90, r4= 5.40,  &end
#
# 20	DT	H6	21	DMC	H5	3.24	4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 620, 654, r1= 2.74, r2= 3.24, r3= 4.64, r4= 5.14,  &end
#
# 20	DT	M7	20	DT	H6	2.42	3.42
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 620, r1= 1.92, r2= 2.42, r3= 4.11, r4= 4.61,
 igr1= 623, 624, 625,
 &end
#
# 20	DT	M7	21	DMC	H5	3.18	4.58
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 654, r1= 2.68, r2= 3.18, r3= 5.50, r4= 6.00,
 igr1= 623, 624, 625,
 &end
#
# 21	DMC	H1'	21	DMC	H2''	2.28	3.28
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 666, r1= 1.78, r2= 2.28, r3= 3.28, r4= 3.78,  &end
#
# 21	DMC	H1'	21	DMC	H2'	2.54	3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 665, r1= 2.04, r2= 2.54, r3= 3.94, r4= 4.44,  &end
#
# 21	DMC	H1'	22	DG	H8	3.31	4.71
 &rst
  ixpk= 0, nxpk= 0, iat= 649, 682, r1= 2.81, r2= 3.31, r3= 4.71, r4= 5.21,  &end
#
# 21	DMC	H2''	21	DMC	H3'	2.56	3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 663, r1= 2.06, r2= 2.56, r3= 3.96, r4= 4.46,  &end
#
# 21	DMC	H2'	21	DMC	H6	2.20	3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 652, r1= 1.70, r2= 2.20, r3= 3.20, r4= 3.70,  &end
#
# 21	DMC	H2''	21	DMC	H6	2.44	3.84
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 652, r1= 1.94, r2= 2.44, r3= 3.84, r4= 4.34,  &end
#
# 21	DMC	H2''	22	DG	H8	2.66	4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 666, 682, r1= 2.16, r2= 2.66, r3= 4.06, r4= 4.56,  &end
#
# 21	DMC	H2'	22	DG	H8	2.90	4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 665, 682, r1= 2.40, r2= 2.90, r3= 4.30, r4= 4.80,  &end
#
# 21	DMC	H3'	21	DMC	H6	2.75	4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 652, r1= 2.25, r2= 2.75, r3= 4.15, r4= 4.65,  &end
#
# 21	DMC	H3'	22	DG	H8	3.71	5.11
 &rst
  ixpk= 0, nxpk= 0, iat= 663, 682, r1= 3.21, r2= 3.71, r3= 5.11, r4= 5.61,  &end
#
# 21	DMC	H5	21	DMC	H6	2.27	3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 654, 652, r1= 1.77, r2= 2.27, r3= 3.27, r4= 3.77,  &end
#
# 22	DG	H1'	22	DG	H2'	2.31	3.71
 &rst
  ixpk= 0, nxpk= 0, iat= 679, 698, r1= 1.81, r2= 2.31, r3= 3.71, r4= 4.21,  &end
#
# 22	DG	H1'	22	DG	H2''	2.32	3.32
 &rst
  ixpk= 0, nxpk= 0, iat= 679, 699, r1= 1.82, r2= 2.32, r3= 3.32, r4= 3.82,  &end
#
# 22	DG	H1'	22	DG	H4'	2.79	4.19
 &rst
  ixpk= 0, nxpk= 0, iat= 679, 676, r1= 2.29, r2= 2.79, r3= 4.19, r4= 4.69,  &end
#
# 22	DG	H1'	22	DG	H8	3.00	4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 679, 682, r1= 2.50, r2= 3.00, r3= 4.40, r4= 4.90,  &end
#
# 22	DG	H1'	23	DC	H6	2.84	4.24
 &rst
  ixpk= 0, nxpk= 0, iat= 679, 715, r1= 2.34, r2= 2.84, r3= 4.24, r4= 4.74,  &end
#
# 22	DG	H2'	22	DG	H8	2.13	3.13
 &rst
  ixpk= 0, nxpk= 0, iat= 698, 682, r1= 1.63, r2= 2.13, r3= 3.13, r4= 3.63,  &end
#
# 22	DG	H3'	22	DG	H8	2.93	4.33
 &rst
  ixpk= 0, nxpk= 0, iat= 696, 682, r1= 2.43, r2= 2.93, r3= 4.33, r4= 4.83,  &end
#
# 22	DG	H4'	22	DG	H8	3.97	5.37
 &rst
  ixpk= 0, nxpk= 0, iat= 676, 682, r1= 3.47, r2= 3.97, r3= 5.37, r4= 5.87,  &end
#
# 22	DG	H8	23	DC	H5	3.21	4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 717, r1= 2.71, r2= 3.21, r3= 4.61, r4= 5.11,  &end
#
# 23	DC	H1'	23	DC	H2''	2.23	3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 729, r1= 1.73, r2= 2.23, r3= 3.23, r4= 3.73,  &end
#
# 23	DC	H1'	23	DC	H2'	2.41	3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 728, r1= 1.91, r2= 2.41, r3= 3.81, r4= 4.31,  &end
#
# 23	DC	H1'	23	DC	H6	3.00	4.40
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 715, r1= 2.50, r2= 3.00, r3= 4.40, r4= 4.90,  &end
#
# 23	DC	H1'	24	DG	H8	3.22	4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 712, 745, r1= 2.72, r2= 3.22, r3= 4.62, r4= 5.12,  &end
#
# 23	DC	H2'	23	DC	H2''	2.01	3.01
# &rst
#  ixpk= 0, nxpk= 0, iat= 728, 729, r1= 1.51, r2= 2.01, r3= 3.01, r4= 3.51,  &end
#
# 23	DC	H2'	23	DC	H3'	2.48	3.48
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 726, r1= 1.98, r2= 2.48, r3= 3.48, r4= 3.98,  &end
#
# 23	DC	H2''	23	DC	H3'	2.59	3.99
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 726, r1= 2.09, r2= 2.59, r3= 3.99, r4= 4.49,  &end
#
# 23	DC	H2'	23	DC	H6	2.23	3.23
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 715, r1= 1.73, r2= 2.23, r3= 3.23, r4= 3.73,  &end
#
# 23	DC	H2''	23	DC	H6	2.48	3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 715, r1= 1.98, r2= 2.48, r3= 3.88, r4= 4.38,  &end
#
# 23	DC	H2''	24	DG	H8	2.30	3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 729, 745, r1= 1.80, r2= 2.30, r3= 3.70, r4= 4.20,  &end
#
# 23	DC	H2'	24	DG	H8	2.89	4.29
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 745, r1= 2.39, r2= 2.89, r3= 4.29, r4= 4.79,  &end
#
# 23	DC	H3'	23	DC	H6	3.11	4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 726, 715, r1= 2.61, r2= 3.11, r3= 4.51, r4= 5.01,  &end
#
# 23	DC	H5	23	DC	H6	2.27	3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 715, r1= 1.77, r2= 2.27, r3= 3.27, r4= 3.77,  &end
#
# 24	DG	H1'	24	DG	H2''	2.15	3.15
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 762, r1= 1.65, r2= 2.15, r3= 3.15, r4= 3.65,  &end
#
# 24	DG	H1'	24	DG	H2'	2.35	3.35
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 761, r1= 1.85, r2= 2.35, r3= 3.35, r4= 3.85,  &end
#
# 24	DG	H1'	24	DG	H8	3.07	4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 745, r1= 2.57, r2= 3.07, r3= 4.47, r4= 4.97,  &end
#
# 24	DG	H2'	24	DG	H4'	2.37	3.77
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 739, r1= 1.87, r2= 2.37, r3= 3.77, r4= 4.27,  &end
#
# 24	DG	H2'	24	DG	H8	2.21	3.21
 &rst
  ixpk= 0, nxpk= 0, iat= 761, 745, r1= 1.71, r2= 2.21, r3= 3.21, r4= 3.71,  &end
#
# 24	DG	H2''	24	DG	H8	2.30	3.70
 &rst
  ixpk= 0, nxpk= 0, iat= 762, 745, r1= 1.80, r2= 2.30, r3= 3.70, r4= 4.20,  &end
#
# 24	DG	H3'	24	DG	H8	3.62	5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 759, 745, r1= 3.12, r2= 3.62, r3= 5.02, r4= 5.52,  &end
#

#RESTRAINTS FOR NON AVERAGE NOE'S

#
# 1	DC	H1'	1	DC	H2'	2.61	4.01
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  26, r1= 2.11, r2= 2.61, r3= 4.01, r4= 4.51, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
# 1	DC	H1'	1	DC	H6	2.67	4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  10,  13, r1= 2.17, r2= 2.67, r3= 4.07, r4= 4.57,  &end
#
# 1	DC	H2''	1	DC	H4'	3.02	4.42
 &rst
  ixpk= 0, nxpk= 0, iat=  27,   7, r1= 2.52, r2= 3.02, r3= 4.42, r4= 4.92,  &end
#
# 1	DC	H2''	1	DC	H6	2.60	4.00
 &rst
  ixpk= 0, nxpk= 0, iat=  27,  13, r1= 2.10, r2= 2.60, r3= 4.00, r4= 4.50,  &end
#
# 1	DC	H5	1	DC	H6	2.20	3.20
 &rst
  ixpk= 0, nxpk= 0, iat=  15,  13, r1= 1.70, r2= 2.20, r3= 3.20, r4= 3.70,  &end
#
# 2	DG	H1'	2	DG	H3'	2.78	4.18
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  57, r1= 2.28, r2= 2.78, r3= 4.18, r4= 4.68,  &end
#
# 2	DG	H1'	3	DMC	M7	3.13	4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  40,  -1, r1= 2.63, r2= 3.13, r3= 5.44, r4= 5.94,
 igr2=  91,  92,  93,
 &end
#
# 2	DG	H3'	3	DMC	M7	3.22	4.62
 &rst
  ixpk= 0, nxpk= 0, iat=  57,  -1, r1= 2.72, r2= 3.22, r3= 5.55, r4= 6.05,
 igr2=  91,  92,  93,
 &end
#
# 3	DMC	H3'	3	DMC	H6	3.66	5.06
 &rst
  ixpk= 0, nxpk= 0, iat=  72,  90, r1= 3.16, r2= 3.66, r3= 5.06, r4= 5.56,  &end
#
# 4	DG	H1'	4	DG	H2'	2.47	3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 125, r1= 1.97, r2= 2.47, r3= 3.87, r4= 4.37,  &end
#
# 4	DG	H1'	4	DG	H3'	2.67	4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 106, 123, r1= 2.17, r2= 2.67, r3= 4.07, r4= 4.57,  &end
#
# 4	DG	H4'	4	DG	H8	3.87	5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 103, 109, r1= 3.37, r2= 3.87, r3= 5.27, r4= 5.77,  &end
#
# 4	DG	H8	5	DA	H8	3.18	4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 109, 142, r1= 2.68, r2= 3.18, r3= 4.58, r4= 5.08,  &end
#
# 5	DA	H1'	5	DA	H2	4.48	5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 151, r1= 3.98, r2= 4.48, r3= 5.88, r4= 6.38,  &end
#
# 5	DA	H1'	5	DA	H3'	2.82	4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 155, r1= 2.32, r2= 2.82, r3= 4.22, r4= 4.72,  &end
#
# 5	DA	H2	21	DMC	H1'	3.55	4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 649, r1= 3.05, r2= 3.55, r3= 4.95, r4= 5.45,  &end
#
# 5	DA	H2	6	DA	H2	3.24	4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 183, r1= 2.74, r2= 3.24, r3= 4.64, r4= 5.14,  &end
#
# 6	DA	H1'	6	DA	H2	3.59	4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 183, r1= 3.09, r2= 3.59, r3= 4.99, r4= 5.49,  &end
#
# 6	DA	H1'	6	DA	H3'	2.77	4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 171, 187, r1= 2.27, r2= 2.77, r3= 4.17, r4= 4.67,  &end
#
# 6	DA	H1'	7	DT	M7	2.99	4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 171,  -1, r1= 2.49, r2= 2.99, r3= 5.27, r4= 5.77,
 igr2= 209, 210, 211,
 &end
#
# 6	DA	H2	20	DT	M7	4.31	6.11
 &rst
  ixpk= 0, nxpk= 0, iat= 183,  -1, r1= 3.81, r2= 4.31, r3= 7.34, r4= 7.84,
 igr2= 623, 624, 625,
 &end
#
# 7	DT	H1'	7	DT	H2'	2.38	3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 203, 221, r1= 1.88, r2= 2.38, r3= 3.78, r4= 4.28,  &end
#
# 7	DT	H1'	8	DT	M7	3.36	4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 203,  -1, r1= 2.86, r2= 3.36, r3= 5.72, r4= 6.22,
 igr2= 241, 242, 243,
 &end
#
# 7	DT	H3'	8	DT	M7	2.77	4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 219,  -1, r1= 2.27, r2= 2.77, r3= 5.01, r4= 5.51,
 igr2= 241, 242, 243,
 &end
#
# 7	DT	H4'	7	DT	H6	3.62	5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 200, 206, r1= 3.12, r2= 3.62, r3= 5.02, r4= 5.52,  &end
#
# 7	DT	H6	8	DT	H6	3.60	5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 206, 238, r1= 3.10, r2= 3.60, r3= 5.00, r4= 5.50,  &end
#
# 7	DT	M7	8	DT	M7	2.32	3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.82, r2= 2.32, r3= 5.37, r4= 5.87,
 igr1= 209, 210, 211,
 igr2= 241, 242, 243,
 &end
#
# 8	DT	H1'	8	DT	H2''	2.34	3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 254, r1= 1.84, r2= 2.34, r3= 3.34, r4= 3.84,  &end
#
# 8	DT	H1'	8	DT	H2'	2.41	3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 253, r1= 1.91, r2= 2.41, r3= 3.81, r4= 4.31,  &end
#
# 8	DT	H1'	8	DT	H3'	2.85	4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 251, r1= 2.35, r2= 2.85, r3= 4.25, r4= 4.75,  &end
#
# 8	DT	H1'	9	DMC	H6	2.90	4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 235, 270, r1= 2.40, r2= 2.90, r3= 4.30, r4= 4.80,  &end
#
# 8	DT	M7	18	DA	H2	4.31	6.11
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 565, r1= 3.81, r2= 4.31, r3= 7.34, r4= 7.84,
 igr1= 241, 242, 243,
 &end
#
# 9	DMC	H1'	17	DA	H2	3.55	4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 533, r1= 3.05, r2= 3.55, r3= 4.95, r4= 5.45,  &end
#
# 9	DMC	H6	10	DG	H8	3.21	4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 270, 300, r1= 2.71, r2= 3.21, r3= 4.61, r4= 5.11,  &end
#
# 10	DG	H1'	10	DG	H3'	2.96	4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 297, 314, r1= 2.46, r2= 2.96, r3= 4.36, r4= 4.86,  &end
#
# 10	DG	H8	11	DC	H6	3.46	4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 300, 333, r1= 2.96, r2= 3.46, r3= 4.86, r4= 5.36,  &end
#
# 11	DC	H2'	11	DC	H5	2.92	4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 335, r1= 2.42, r2= 2.92, r3= 4.32, r4= 4.82,  &end
#
# 11	DC	H5	12	DG	H8	4.11	5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 335, 363, r1= 3.61, r2= 4.11, r3= 5.51, r4= 6.01,  &end
#
# 11	DC	H6	12	DG	H8	3.44	4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 333, 363, r1= 2.94, r2= 3.44, r3= 4.84, r4= 5.34,  &end
#
# 12	DG	H1'	12	DG	H4'	2.87	4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 360, 357, r1= 2.37, r2= 2.87, r3= 4.27, r4= 4.77,  &end
#
# 13	DC	H1'	13	DC	H2'	2.61	4.01
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 408, r1= 2.11, r2= 2.61, r3= 4.01, r4= 4.51,  &end
#
# 13	DC	H1'	13	DC	H6	2.67	4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 392, 395, r1= 2.17, r2= 2.67, r3= 4.07, r4= 4.57,  &end
#
# 13	DC	H2''	13	DC	H4'	3.02	4.42
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 389, r1= 2.52, r2= 3.02, r3= 4.42, r4= 4.92,  &end
#
# 13	DC	H2''	13	DC	H6	2.60	4.00
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 395, r1= 2.10, r2= 2.60, r3= 4.00, r4= 4.50,  &end
#
# 13	DC	H5	13	DC	H6	2.20	3.20
 &rst
  ixpk= 0, nxpk= 0, iat= 397, 395, r1= 1.70, r2= 2.20, r3= 3.20, r4= 3.70,  &end
#
# 14	DG	H1'	14	DG	H3'	2.78	4.18
 &rst
  ixpk= 0, nxpk= 0, iat= 422, 439, r1= 2.28, r2= 2.78, r3= 4.18, r4= 4.68,  &end
#
# 14	DG	H1'	15	DMC	M7	3.13	4.53
 &rst
  ixpk= 0, nxpk= 0, iat= 422,  -1, r1= 2.63, r2= 3.13, r3= 5.44, r4= 5.94,
 igr2= 473, 474, 475,
 &end
#
# 14	DG	H3'	15	DMC	M7	3.22	4.62
 &rst
  ixpk= 0, nxpk= 0, iat= 439,  -1, r1= 2.72, r2= 3.22, r3= 5.55, r4= 6.05,
 igr2= 473, 474, 475,
 &end
#
# 15	DMC	H3'	15	DMC	H6	3.66	5.06
 &rst
  ixpk= 0, nxpk= 0, iat= 454, 472, r1= 3.16, r2= 3.66, r3= 5.06, r4= 5.56,  &end
#
# 16	DG	H1'	16	DG	H2'	2.47	3.87
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 507, r1= 1.97, r2= 2.47, r3= 3.87, r4= 4.37,  &end
#
# 16	DG	H1'	16	DG	H3'	2.67	4.07
 &rst
  ixpk= 0, nxpk= 0, iat= 488, 505, r1= 2.17, r2= 2.67, r3= 4.07, r4= 4.57,  &end
#
# 16	DG	H4'	16	DG	H8	3.87	5.27
 &rst
  ixpk= 0, nxpk= 0, iat= 485, 491, r1= 3.37, r2= 3.87, r3= 5.27, r4= 5.77,  &end
#
# 16	DG	H8	17	DA	H8	3.18	4.58
 &rst
  ixpk= 0, nxpk= 0, iat= 491, 524, r1= 2.68, r2= 3.18, r3= 4.58, r4= 5.08,  &end
#
# 17	DA	H1'	17	DA	H2	4.48	5.88
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 533, r1= 3.98, r2= 4.48, r3= 5.88, r4= 6.38,  &end
#
# 17	DA	H1'	17	DA	H3'	2.82	4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 521, 537, r1= 2.32, r2= 2.82, r3= 4.22, r4= 4.72,  &end
#
# 17	DA	H2	18	DA	H2	3.24	4.64
 &rst
  ixpk= 0, nxpk= 0, iat= 533, 565, r1= 2.74, r2= 3.24, r3= 4.64, r4= 5.14,  &end
#
# 18	DA	H1'	18	DA	H2	3.59	4.99
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 565, r1= 3.09, r2= 3.59, r3= 4.99, r4= 5.49,  &end
#
# 18	DA	H1'	18	DA	H3'	2.77	4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 553, 569, r1= 2.27, r2= 2.77, r3= 4.17, r4= 4.67,  &end
#
# 18	DA	H1'	19	DT	M7	2.99	4.39
 &rst
  ixpk= 0, nxpk= 0, iat= 553,  -1, r1= 2.49, r2= 2.99, r3= 5.27, r4= 5.77,
 igr2= 591, 592, 593,
 &end
#
# 19	DT	H1'	19	DT	H2'	2.38	3.78
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 603, r1= 1.88, r2= 2.38, r3= 3.78, r4= 4.28,  &end
#
# 19	DT	H1'	20	DT	M7	3.36	4.76
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  -1, r1= 2.86, r2= 3.36, r3= 5.72, r4= 6.22,
 igr2= 623, 624, 625,
 &end
#
# 19	DT	H3'	20	DT	M7	2.77	4.17
 &rst
  ixpk= 0, nxpk= 0, iat= 601,  -1, r1= 2.27, r2= 2.77, r3= 5.01, r4= 5.51,
 igr2= 623, 624, 625,
 &end
#
# 19	DT	H4'	19	DT	H6	3.62	5.02
 &rst
  ixpk= 0, nxpk= 0, iat= 582, 588, r1= 3.12, r2= 3.62, r3= 5.02, r4= 5.52,  &end
#
# 19	DT	H6	20	DT	H6	3.60	5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 620, r1= 3.10, r2= 3.60, r3= 5.00, r4= 5.50,  &end
#
# 19	DT	M7	20	DT	M7	2.32	3.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  -1, r1= 1.82, r2= 2.32, r3= 5.37, r4= 5.87,
 igr1= 591, 592, 593,
 igr2= 623, 624, 625,
 &end
#
# 20	DT	H1'	20	DT	H2''	2.34	3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 636, r1= 1.84, r2= 2.34, r3= 3.34, r4= 3.84,  &end
#
# 20	DT	H1'	20	DT	H2'	2.41	3.81
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 635, r1= 1.91, r2= 2.41, r3= 3.81, r4= 4.31,  &end
#
# 20	DT	H1'	20	DT	H3'	2.85	4.25
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 633, r1= 2.35, r2= 2.85, r3= 4.25, r4= 4.75,  &end
#
# 20	DT	H1'	21	DMC	H6	2.90	4.30
 &rst
  ixpk= 0, nxpk= 0, iat= 617, 652, r1= 2.40, r2= 2.90, r3= 4.30, r4= 4.80,  &end
#
# 21	DMC	H6	22	DG	H8	3.21	4.61
 &rst
  ixpk= 0, nxpk= 0, iat= 652, 682, r1= 2.71, r2= 3.21, r3= 4.61, r4= 5.11,  &end
#
# 22	DG	H1'	22	DG	H3'	2.96	4.36
 &rst
  ixpk= 0, nxpk= 0, iat= 679, 696, r1= 2.46, r2= 2.96, r3= 4.36, r4= 4.86,  &end
#
# 22	DG	H8	23	DC	H6	3.46	4.86
 &rst
  ixpk= 0, nxpk= 0, iat= 682, 715, r1= 2.96, r2= 3.46, r3= 4.86, r4= 5.36,  &end
#
# 23	DC	H2'	23	DC	H5	2.92	4.32
 &rst
  ixpk= 0, nxpk= 0, iat= 728, 717, r1= 2.42, r2= 2.92, r3= 4.32, r4= 4.82,  &end
#
# 23	DC	H5	24	DG	H8	4.11	5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 717, 745, r1= 3.61, r2= 4.11, r3= 5.51, r4= 6.01,  &end
#
# 23	DC	H6	24	DG	H8	3.44	4.84
 &rst
  ixpk= 0, nxpk= 0, iat= 715, 745, r1= 2.94, r2= 3.44, r3= 4.84, r4= 5.34,  &end
#
# 24	DG	H1'	24	DG	H4'	2.87	4.27
 &rst
  ixpk= 0, nxpk= 0, iat= 742, 739, r1= 2.37, r2= 2.87, r3= 4.27, r4= 4.77,  &end



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