*HEADER    DNA                                     30-JUL-13   4BZU
*TITLE     SOLUTION STRUCTURE OF THE MLN 944-D(TATGCATA)2 COMPLEX
*COMPND    MOL_ID: 1;
*COMPND   2 MOLECULE: DNA;
*COMPND   3 CHAIN: A, B
*SOURCE    MOL_ID: 1;
*SOURCE   2 SYNTHETIC: YES;
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;
*SOURCE   4 ORGANISM_TAXID: 32630
*KEYWDS    BIS(PHENAZINE-1-CARBOXAMIDES), MLN 944, DNA, INTERCALATION, DRUG
*KEYWDS   2 DESIGN, ANTICANCER DRUG.
*EXPDTA    SOLUTION NMR
*AUTHOR    A.SEROBIAN,D.S.THOMAS,G.E.BALL,W.A.DENNY,L.P.G.WAKELIN
*REVDAT   1   31-JUL-13 4BZU    0




#
# 1	T	H6	1	T	H1'	2.87	3.65
 &rst
  ixpk= 0, nxpk= 0, iat=  13,  10, r1= 2.37, r2= 2.87, r3= 3.65, r4= 4.15, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
# 1	T	M7	1	T	H6	2.93	3.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  13, r1= 2.43, r2= 2.93, r3= 3.69, r4= 4.19,
 igr1=  16,  17,  18,
 &end
#
# 1	T	H3'	1	T	H1'	3.15	5.58
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  10, r1= 2.65, r2= 3.15, r3= 5.58, r4= 6.08,  &end
#
# 1	T	H3'	1	T	H6	2.49	4.65
 &rst
  ixpk= 0, nxpk= 0, iat=  26,  13, r1= 1.99, r2= 2.49, r3= 4.65, r4= 5.15,  &end
#
# 1	T	H2'	1	T	H1'	2.81	3.71
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  10, r1= 2.31, r2= 2.81, r3= 3.71, r4= 4.21,  &end
#
# 1	T	H2'	1	T	H6	2.14	2.59
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  13, r1= 1.64, r2= 2.14, r3= 2.59, r4= 3.09,  &end
#
# 1	T	H2'	1	T	H3'	2.09	3.06
 &rst
  ixpk= 0, nxpk= 0, iat=  28,  26, r1= 1.59, r2= 2.09, r3= 3.06, r4= 3.56,  &end
#
# 2	A	H8	1	T	H1'	4.03	7.03
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  10, r1= 3.53, r2= 4.03, r3= 7.03, r4= 7.53,  &end
#
# 2	A	H8	1	T	H6	4.29	7.57
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  13, r1= 3.79, r2= 4.29, r3= 7.57, r4= 8.07,  &end
#
# 2	A	H8	1	T	H3'	3.47	4.80
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  26, r1= 2.97, r2= 3.47, r3= 4.80, r4= 5.30,  &end
#
# 2	A	H8	1	T	H2'	2.98	3.64
 &rst
  ixpk= 0, nxpk= 0, iat=  45,  28, r1= 2.48, r2= 2.98, r3= 3.64, r4= 4.14,  &end
#
# 2	A	H3'	2	A	H8	3.19	5.07
 &rst
  ixpk= 0, nxpk= 0, iat=  58,  45, r1= 2.69, r2= 3.19, r3= 5.07, r4= 5.57,  &end
#
# 2	A	H2'	2	A	H1'	2.62	2.88
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  42, r1= 2.12, r2= 2.62, r3= 2.88, r4= 3.38,  &end
#
# 2	A	H2'	2	A	H8	2.30	2.63
 &rst
  ixpk= 0, nxpk= 0, iat=  60,  45, r1= 1.80, r2= 2.30, r3= 2.63, r4= 3.13,  &end
#
# 3	T	H6	2	A	H1'	2.93	3.24
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  42, r1= 2.43, r2= 2.93, r3= 3.24, r4= 3.74,  &end
#
# 3	T	H6	2	A	H8	3.41	5.05
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  45, r1= 2.91, r2= 3.41, r3= 5.05, r4= 5.55,  &end
#
# 3	T	H6	2	A	H2'	3.29	4.88
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  60, r1= 2.79, r2= 3.29, r3= 4.88, r4= 5.38,  &end
#
# 3	T	H6	3	T	H1'	3.08	4.53
 &rst
  ixpk= 0, nxpk= 0, iat=  77,  74, r1= 2.58, r2= 3.08, r3= 4.53, r4= 5.03,  &end
#
# 3	T	M7	2	A	H8	3.60	4.06
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  45, r1= 3.10, r2= 3.60, r3= 4.88, r4= 5.38,
 igr1=  80,  81,  82,
 &end
#
# 3	T	M7	3	T	H6	2.73	3.00
 &rst
  ixpk= 0, nxpk= 0, iat=  -1,  77, r1= 2.23, r2= 2.73, r3= 3.60, r4= 4.10,
 igr1=  80,  81,  82,
 &end
#
# 3	T	H2'	3	T	H1'	2.43	2.80
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  74, r1= 1.93, r2= 2.43, r3= 2.80, r4= 3.30,  &end
#
# 3	T	H2'	3	T	H6	2.10	2.52
 &rst
  ixpk= 0, nxpk= 0, iat=  92,  77, r1= 1.60, r2= 2.10, r3= 2.52, r4= 3.02,  &end
#
# 4	G	H2'	4	G	H1'	2.75	3.53
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 106, r1= 2.25, r2= 2.75, r3= 3.53, r4= 4.03,  &end
#
# 4	G	H2'	4	G	H8	2.29	2.57
 &rst
  ixpk= 0, nxpk= 0, iat= 125, 109, r1= 1.79, r2= 2.29, r3= 2.57, r4= 3.07,  &end
#
# 5	C	H1'	4	G	H1'	3.55	4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 139, 106, r1= 3.05, r2= 3.55, r3= 4.10, r4= 4.60,  &end
#
# 5	C	H6	4	G	H1'	3.08	3.38
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 106, r1= 2.58, r2= 3.08, r3= 3.38, r4= 3.88,  &end
#
# 5	C	H6	5	C	H1'	3.00	4.79
 &rst
  ixpk= 0, nxpk= 0, iat= 142, 139, r1= 2.50, r2= 3.00, r3= 4.79, r4= 5.29,  &end
#
# 5	C	H5	4	G	H8	3.98	5.75
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 109, r1= 3.48, r2= 3.98, r3= 5.75, r4= 6.25,  &end
#
# 5	C	H5	4	G	H2'	2.94	3.95
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 125, r1= 2.44, r2= 2.94, r3= 3.95, r4= 4.45,  &end
#
# 5	C	H5	5	C	H6	2.38	2.53
 &rst
  ixpk= 0, nxpk= 0, iat= 144, 142, r1= 1.88, r2= 2.38, r3= 2.53, r4= 3.03,  &end
#
# 5	C	H3'	5	C	H6	2.71	5.76
 &rst
  ixpk= 0, nxpk= 0, iat= 153, 142, r1= 2.21, r2= 2.71, r3= 5.76, r4= 6.26,  &end
#
# 5	C	H2'	5	C	H6	2.13	2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 142, r1= 1.63, r2= 2.13, r3= 2.39, r4= 2.89,  &end
#
# 5	C	H2'	5	C	H5	3.56	5.00
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 144, r1= 3.06, r2= 3.56, r3= 5.00, r4= 5.50,  &end
#
# 5	C	H2'	5	C	H3'	2.44	2.58
 &rst
  ixpk= 0, nxpk= 0, iat= 155, 153, r1= 1.94, r2= 2.44, r3= 2.58, r4= 3.08,  &end
#
# 6	A	H2'	6	A	H1'	2.59	3.40
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 169, r1= 2.09, r2= 2.59, r3= 3.40, r4= 3.90,  &end
#
# 6	A	H2'	6	A	H8	2.05	2.35
 &rst
  ixpk= 0, nxpk= 0, iat= 187, 172, r1= 1.55, r2= 2.05, r3= 2.35, r4= 2.85,  &end
#
# 7	T	H6	6	A	H1'	3.48	3.94
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 169, r1= 2.98, r2= 3.48, r3= 3.94, r4= 4.44,  &end
#
# 7	T	H6	6	A	H8	4.06	7.39
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 172, r1= 3.56, r2= 4.06, r3= 7.39, r4= 7.89,  &end
#
# 7	T	H6	6	A	H2'	3.11	4.43
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 187, r1= 2.61, r2= 3.11, r3= 4.43, r4= 4.93,  &end
#
# 7	T	H6	7	T	H1'	2.82	4.14
 &rst
  ixpk= 0, nxpk= 0, iat= 204, 201, r1= 2.32, r2= 2.82, r3= 4.14, r4= 4.64,  &end
#
# 7	T	M7	6	A	H1'	5.11	6.33
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 169, r1= 4.61, r2= 5.11, r3= 7.60, r4= 8.10,
 igr1= 207, 208, 209,
 &end
#
# 7	T	M7	6	A	H8	3.78	4.05
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 172, r1= 3.28, r2= 3.78, r3= 4.86, r4= 5.36,
 igr1= 207, 208, 209,
 &end
#
# 7	T	M7	6	A	H2'	3.97	4.31
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 187, r1= 3.47, r2= 3.97, r3= 5.18, r4= 5.68,
 igr1= 207, 208, 209,
 &end
#
# 7	T	M7	7	T	H6	3.03	3.15
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 204, r1= 2.53, r2= 3.03, r3= 3.78, r4= 4.28,
 igr1= 207, 208, 209,
 &end
#
# 7	T	H3'	7	T	H1'	2.49	5.18
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 201, r1= 1.99, r2= 2.49, r3= 5.18, r4= 5.68,  &end
#
# 7	T	H3'	7	T	H6	3.00	4.31
 &rst
  ixpk= 0, nxpk= 0, iat= 217, 204, r1= 2.50, r2= 3.00, r3= 4.31, r4= 4.81,  &end
#
# 7	T	H2'	7	T	H1'	2.38	3.27
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 201, r1= 1.88, r2= 2.38, r3= 3.27, r4= 3.77,  &end
#
# 7	T	H2'	7	T	H6	2.14	2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 204, r1= 1.64, r2= 2.14, r3= 2.39, r4= 2.89,  &end
#
# 7	T	H2'	7	T	H3'	2.32	2.52
 &rst
  ixpk= 0, nxpk= 0, iat= 219, 217, r1= 1.82, r2= 2.32, r3= 2.52, r4= 3.02,  &end
#
# 8	A	H8	7	T	H2'	3.77	5.41
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 219, r1= 3.27, r2= 3.77, r3= 5.41, r4= 5.91,  &end
#
# 8	A	H8	8	A	H1'	3.05	4.28
 &rst
  ixpk= 0, nxpk= 0, iat= 236, 233, r1= 2.55, r2= 3.05, r3= 4.28, r4= 4.78,  &end
#
# 8	A	H3'	8	A	H8	2.56	4.26
 &rst
  ixpk= 0, nxpk= 0, iat= 249, 236, r1= 2.06, r2= 2.56, r3= 4.26, r4= 4.76,  &end
#
# 8	A	H2'	8	A	H1'	2.71	3.29
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 233, r1= 2.21, r2= 2.71, r3= 3.29, r4= 3.79,  &end
#
# 8	A	H2'	8	A	H8	2.23	2.43
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 236, r1= 1.73, r2= 2.23, r3= 2.43, r4= 2.93,  &end
#
# 8	A	H2'	8	A	H3'	2.24	2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 251, 249, r1= 1.74, r2= 2.24, r3= 2.50, r4= 3.00,  &end
#
# 9	T	H6	9	T	H1'	3.40	4.20
 &rst
  ixpk= 0, nxpk= 0, iat= 267, 264, r1= 2.90, r2= 3.40, r3= 4.20, r4= 4.70,  &end
#
# 9	T	M7	9	T	H6	2.93	3.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 267, r1= 2.43, r2= 2.93, r3= 3.65, r4= 4.15,
 igr1= 270, 271, 272,
 &end
#
# 9	T	H3'	9	T	H6	3.33	4.95
 &rst
  ixpk= 0, nxpk= 0, iat= 280, 267, r1= 2.83, r2= 3.33, r3= 4.95, r4= 5.45,  &end
#
# 9	T	H2'	9	T	H1'	2.93	4.67
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 264, r1= 2.43, r2= 2.93, r3= 4.67, r4= 5.17,  &end
#
# 9	T	H2'	9	T	H6	2.23	2.37
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 267, r1= 1.73, r2= 2.23, r3= 2.37, r4= 2.87,  &end
#
# 9	T	H2'	9	T	H3'	2.27	2.46
 &rst
  ixpk= 0, nxpk= 0, iat= 282, 280, r1= 1.77, r2= 2.27, r3= 2.46, r4= 2.96,  &end
#
# 10	A	H8	9	T	H1'	4.11	5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 264, r1= 3.61, r2= 4.11, r3= 5.54, r4= 6.04,  &end
#
# 10	A	H8	9	T	H3'	3.48	4.15
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 280, r1= 2.98, r2= 3.48, r3= 4.15, r4= 4.65,  &end
#
# 10	A	H8	9	T	H2'	3.61	4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 299, 282, r1= 3.11, r2= 3.61, r3= 4.83, r4= 5.33,  &end
#
# 10	A	H2'	10	A	H1'	2.51	3.60
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 296, r1= 2.01, r2= 2.51, r3= 3.60, r4= 4.10,  &end
#
# 10	A	H2'	10	A	H8	2.12	2.35
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 299, r1= 1.62, r2= 2.12, r3= 2.35, r4= 2.85,  &end
#
# 10	A	H2'	10	A	H3'	2.37	2.63
 &rst
  ixpk= 0, nxpk= 0, iat= 314, 312, r1= 1.87, r2= 2.37, r3= 2.63, r4= 3.13,  &end
#
# 11	T	H6	10	A	H1'	3.03	5.26
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 296, r1= 2.53, r2= 3.03, r3= 5.26, r4= 5.76,  &end
#
# 11	T	H6	10	A	H8	3.70	4.54
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 299, r1= 3.20, r2= 3.70, r3= 4.54, r4= 5.04,  &end
#
# 11	T	H6	10	A	H2'	2.72	4.80
 &rst
  ixpk= 0, nxpk= 0, iat= 331, 314, r1= 2.22, r2= 2.72, r3= 4.80, r4= 5.30,  &end
#
# 11	T	M7	10	A	H8	3.73	4.47
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 299, r1= 3.23, r2= 3.73, r3= 5.37, r4= 5.87,
 igr1= 334, 335, 336,
 &end
#
# 11	T	M7	11	T	H6	2.78	3.04
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 331, r1= 2.28, r2= 2.78, r3= 3.65, r4= 4.15,
 igr1= 334, 335, 336,
 &end
#
# 11	T	H2'	11	T	H1'	2.46	2.89
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 328, r1= 1.96, r2= 2.46, r3= 2.89, r4= 3.39,  &end
#
# 11	T	H2'	11	T	H6	2.09	2.38
 &rst
  ixpk= 0, nxpk= 0, iat= 346, 331, r1= 1.59, r2= 2.09, r3= 2.38, r4= 2.88,  &end
#
# 12	G	H2'	12	G	H1'	2.70	3.75
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 360, r1= 2.20, r2= 2.70, r3= 3.75, r4= 4.25,  &end
#
# 12	G	H2'	12	G	H8	2.35	2.66
 &rst
  ixpk= 0, nxpk= 0, iat= 379, 363, r1= 1.85, r2= 2.35, r3= 2.66, r4= 3.16,  &end
#
# 13	C	H1'	12	G	H1'	3.59	4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 393, 360, r1= 3.09, r2= 3.59, r3= 4.22, r4= 4.72,  &end
#
# 13	C	H6	12	G	H1'	3.17	3.55
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 360, r1= 2.67, r2= 3.17, r3= 3.55, r4= 4.05,  &end
#
# 13	C	H6	13	C	H1'	2.45	4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 396, 393, r1= 1.95, r2= 2.45, r3= 4.13, r4= 4.63,  &end
#
# 13	C	H5	12	G	H8	4.00	5.32
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 363, r1= 3.50, r2= 4.00, r3= 5.32, r4= 5.82,  &end
#
# 13	C	H5	12	G	H2'	2.94	3.34
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 379, r1= 2.44, r2= 2.94, r3= 3.34, r4= 3.84,  &end
#
# 13	C	H5	13	C	H6	2.46	2.75
 &rst
  ixpk= 0, nxpk= 0, iat= 398, 396, r1= 1.96, r2= 2.46, r3= 2.75, r4= 3.25,  &end
#
# 13	C	H3'	13	C	H6	2.49	4.69
 &rst
  ixpk= 0, nxpk= 0, iat= 407, 396, r1= 1.99, r2= 2.49, r3= 4.69, r4= 5.19,  &end
#
# 13	C	H2'	13	C	H1'	2.24	2.83
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 393, r1= 1.74, r2= 2.24, r3= 2.83, r4= 3.33,  &end
#
# 13	C	H2'	13	C	H6	2.11	2.41
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 396, r1= 1.61, r2= 2.11, r3= 2.41, r4= 2.91,  &end
#
# 13	C	H2'	13	C	H5	3.38	4.83
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 398, r1= 2.88, r2= 3.38, r3= 4.83, r4= 5.33,  &end
#
# 13	C	H2'	13	C	H3'	2.23	2.82
 &rst
  ixpk= 0, nxpk= 0, iat= 409, 407, r1= 1.73, r2= 2.23, r3= 2.82, r4= 3.32,  &end
#
# 14	A	H8	14	A	H1'	3.66	5.56
 &rst
  ixpk= 0, nxpk= 0, iat= 426, 423, r1= 3.16, r2= 3.66, r3= 5.56, r4= 6.06,  &end
#
# 14	A	H2'	14	A	H1'	2.53	3.91
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 423, r1= 2.03, r2= 2.53, r3= 3.91, r4= 4.41,  &end
#
# 14	A	H2'	14	A	H8	2.05	2.39
 &rst
  ixpk= 0, nxpk= 0, iat= 441, 426, r1= 1.55, r2= 2.05, r3= 2.39, r4= 2.89,  &end
#
# 15	T	H6	14	A	H1'	3.17	4.41
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 423, r1= 2.67, r2= 3.17, r3= 4.41, r4= 4.91,  &end
#
# 15	T	H6	14	A	H8	4.52	6.85
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 426, r1= 4.02, r2= 4.52, r3= 6.85, r4= 7.35,  &end
#
# 15	T	H6	14	A	H2'	2.65	4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 441, r1= 2.15, r2= 2.65, r3= 4.38, r4= 4.88,  &end
#
# 15	T	H6	15	T	H1'	2.52	3.88
 &rst
  ixpk= 0, nxpk= 0, iat= 458, 455, r1= 2.02, r2= 2.52, r3= 3.88, r4= 4.38,  &end
#
# 15	T	M7	14	A	H1'	5.05	6.59
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 423, r1= 4.55, r2= 5.05, r3= 7.91, r4= 8.41,
 igr1= 461, 462, 463,
 &end
#
# 15	T	M7	14	A	H8	3.85	4.07
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 426, r1= 3.35, r2= 3.85, r3= 4.89, r4= 5.39,
 igr1= 461, 462, 463,
 &end
#
# 15	T	M7	14	A	H2'	3.95	4.43
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 441, r1= 3.45, r2= 3.95, r3= 5.32, r4= 5.82,
 igr1= 461, 462, 463,
 &end
#
# 15	T	M7	15	T	H6	3.01	3.13
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 458, r1= 2.51, r2= 3.01, r3= 3.76, r4= 4.26,
 igr1= 461, 462, 463,
 &end
#
# 15	T	H3'	15	T	H1'	2.71	4.47
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 455, r1= 2.21, r2= 2.71, r3= 4.47, r4= 4.97,  &end
#
# 15	T	H3'	15	T	H6	2.80	4.13
 &rst
  ixpk= 0, nxpk= 0, iat= 471, 458, r1= 2.30, r2= 2.80, r3= 4.13, r4= 4.63,  &end
#
# 15	T	H2'	15	T	H1'	2.28	3.49
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 455, r1= 1.78, r2= 2.28, r3= 3.49, r4= 3.99,  &end
#
# 15	T	H2'	15	T	H6	2.15	2.46
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 458, r1= 1.65, r2= 2.15, r3= 2.46, r4= 2.96,  &end
#
# 15	T	H2'	15	T	H3'	2.34	2.54
 &rst
  ixpk= 0, nxpk= 0, iat= 473, 471, r1= 1.84, r2= 2.34, r3= 2.54, r4= 3.04,  &end
#
# 16	A	H8	15	T	H2'	3.22	4.91
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 473, r1= 2.72, r2= 3.22, r3= 4.91, r4= 5.41,  &end
#
# 16	A	H8	16	A	H1'	2.80	4.12
 &rst
  ixpk= 0, nxpk= 0, iat= 490, 487, r1= 2.30, r2= 2.80, r3= 4.12, r4= 4.62,  &end
#
# 16	A	H3'	16	A	H8	2.46	4.22
 &rst
  ixpk= 0, nxpk= 0, iat= 503, 490, r1= 1.96, r2= 2.46, r3= 4.22, r4= 4.72,  &end
#
# 16	A	H2'	16	A	H1'	2.68	3.58
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 487, r1= 2.18, r2= 2.68, r3= 3.58, r4= 4.08,  &end
#
# 16	A	H2'	16	A	H8	2.28	2.59
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 490, r1= 1.78, r2= 2.28, r3= 2.59, r4= 3.09,  &end
#
# 16	A	H2'	16	A	H3'	2.22	2.51
 &rst
  ixpk= 0, nxpk= 0, iat= 505, 503, r1= 1.72, r2= 2.22, r3= 2.51, r4= 3.01,  &end
#
# 17	mln	H17	5	C	H1'	3.70	5.99
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 139, r1= 3.20, r2= 3.70, r3= 5.99, r4= 6.49,  &end
#
# 17	mln	H17	5	C	H6	2.62	3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 142, r1= 2.12, r2= 2.62, r3= 3.03, r4= 3.53,  &end
#
# 17	mln	H17	5	C	H2'	2.57	3.00
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 155, r1= 2.07, r2= 2.57, r3= 3.00, r4= 3.50,  &end
#
# 17	mln	H17	6	A	H8	2.70	4.10
 &rst
  ixpk= 0, nxpk= 0, iat= 524, 172, r1= 2.20, r2= 2.70, r3= 4.10, r4= 4.60,  &end
#
# 17	mln	H18	5	C	H1'	3.93	5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 139, r1= 3.43, r2= 3.93, r3= 5.19, r4= 5.69,  &end
#
# 17	mln	H18	5	C	H2'	2.80	3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 155, r1= 2.30, r2= 2.80, r3= 3.01, r4= 3.51,  &end
#
# 17	mln	H18	6	A	H1'	3.45	3.69
 &rst
  ixpk= 0, nxpk= 0, iat= 525, 169, r1= 2.95, r2= 3.45, r3= 3.69, r4= 4.19,  &end
#
# 17	mln	H19	5	C	H5	3.31	3.85
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 144, r1= 2.81, r2= 3.31, r3= 3.85, r4= 4.35,  &end
#
# 17	mln	H19	5	C	H2'	2.84	3.98
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 155, r1= 2.34, r2= 2.84, r3= 3.98, r4= 4.48,  &end
#
# 17	mln	H19	6	A	H8	3.31	4.88
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 172, r1= 2.81, r2= 3.31, r3= 4.88, r4= 5.38,  &end
#
# 17	mln	H19	17	mln	H17	1.88	2.24
 &rst
  ixpk= 0, nxpk= 0, iat= 526, 524, r1= 1.38, r2= 1.88, r3= 2.24, r4= 2.74,  &end
#
# 17	mln	M2	17	mln	H17	3.23	4.75
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 524, r1= 2.73, r2= 3.23, r3= 5.70, r4= 6.20,
 igr1= 527, 528, 529,
 &end
#
# 17	mln	M2	17	mln	H18	3.76	5.37
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 525, r1= 3.26, r2= 3.76, r3= 6.45, r4= 6.95,
 igr1= 527, 528, 529,
 &end
#
# 17	mln	M2	17	mln	H19	2.49	2.73
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 526, r1= 1.99, r2= 2.49, r3= 3.28, r4= 3.78,
 igr1= 527, 528, 529,
 &end
#
# 17	mln	H25	11	T	H1'	3.60	5.54
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 328, r1= 3.10, r2= 3.60, r3= 5.54, r4= 6.04,  &end
#
# 17	mln	H25	11	T	H2'	2.41	3.47
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 346, r1= 1.91, r2= 2.41, r3= 3.47, r4= 3.97,  &end
#
# 17	mln	H25	17	mln	H24	2.24	2.38
 &rst
  ixpk= 0, nxpk= 0, iat= 531, 530, r1= 1.74, r2= 2.24, r3= 2.38, r4= 2.88,  &end
#
# 17	mln	H46	11	T	M7	3.42	3.65
 &rst
  ixpk= 0, nxpk= 0, iat= 547,  -1, r1= 2.92, r2= 3.42, r3= 4.38, r4= 4.88,
 igr2= 334, 335, 336,
 &end
#
# 17	mln	H51	17	mln	M2	5.74	6.16
 &rst
  ixpk= 0, nxpk= 0, iat= 550,  -1, r1= 5.24, r2= 5.74, r3= 7.40, r4= 7.90,
 igr2= 527, 528, 529,
 &end
#
# 17	mln	H51	17	mln	H46	2.19	2.41
 &rst
  ixpk= 0, nxpk= 0, iat= 550, 547, r1= 1.69, r2= 2.19, r3= 2.41, r4= 2.91,  &end
#
# 17	mln	H52	17	mln	M2	4.55	5.77
 &rst
  ixpk= 0, nxpk= 0, iat= 551,  -1, r1= 4.05, r2= 4.55, r3= 6.93, r4= 7.43,
 igr2= 527, 528, 529,
 &end
#
# 17	mln	H52	17	mln	H46	2.26	2.49
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 547, r1= 1.76, r2= 2.26, r3= 2.49, r4= 2.99,  &end
#
# 17	mln	H52	17	mln	H47	2.44	2.93
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 548, r1= 1.94, r2= 2.44, r3= 2.93, r4= 3.43,  &end
#
# 17	mln	H52	17	mln	H51	2.58	2.86
 &rst
  ixpk= 0, nxpk= 0, iat= 551, 550, r1= 2.08, r2= 2.58, r3= 2.86, r4= 3.36,  &end
#
# 17	mln	H56	17	mln	H51	2.86	3.18
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 550, r1= 2.36, r2= 2.86, r3= 3.18, r4= 3.68,  &end
#
# 17	mln	H56	17	mln	H52	3.03	3.57
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 551, r1= 2.53, r2= 3.03, r3= 3.57, r4= 4.07,  &end
#
# 17	mln	H56	17	mln	H55	2.35	2.63
 &rst
  ixpk= 0, nxpk= 0, iat= 555, 554, r1= 1.85, r2= 2.35, r3= 2.63, r4= 3.13,  &end
#
# 17	mln	H58	17	mln	H57	2.26	2.45
 &rst
  ixpk= 0, nxpk= 0, iat= 557, 556, r1= 1.76, r2= 2.26, r3= 2.45, r4= 2.95,  &end
#
# 17	mln	H63	17	mln	H58	3.02	3.14
 &rst
  ixpk= 0, nxpk= 0, iat= 561, 557, r1= 2.52, r2= 3.02, r3= 3.14, r4= 3.64,  &end
#
# 17	mln	H64	3	T	M7	3.33	3.59
 &rst
  ixpk= 0, nxpk= 0, iat= 562,  -1, r1= 2.83, r2= 3.33, r3= 4.31, r4= 4.81,
 igr2=  80,  81,  82,
 &end
#
# 17	mln	H64	17	mln	H63	2.28	2.48
 &rst
  ixpk= 0, nxpk= 0, iat= 562, 561, r1= 1.78, r2= 2.28, r3= 2.48, r4= 2.98,  &end
#
# 17	mln	H65	17	mln	H63	2.29	2.50
 &rst
  ixpk= 0, nxpk= 0, iat= 563, 561, r1= 1.79, r2= 2.29, r3= 2.50, r4= 3.00,  &end
#
# 17	mln	M8	17	mln	H63	4.34	4.72
 &rst
  ixpk= 0, nxpk= 0, iat=  -1, 561, r1= 3.84, r2= 4.34, r3= 5.67, r4= 6.17,
 igr1= 579, 580, 581,
 &end
#
# 17	mln	H88	3	T	H1'	3.45	5.19
 &rst
  ixpk= 0, nxpk= 0, iat= 582,  74, r1= 2.95, r2= 3.45, r3= 5.19, r4= 5.69,  &end
#
# 17	mln	H88	3	T	H2'	2.75	3.11
 &rst
  ixpk= 0, nxpk= 0, iat= 582,  92, r1= 2.25, r2= 2.75, r3= 3.11, r4= 3.61,  &end
#
# 17	mln	H89	17	mln	H88	2.24	2.43
 &rst
  ixpk= 0, nxpk= 0, iat= 583, 582, r1= 1.74, r2= 2.24, r3= 2.43, r4= 2.93,  &end
#
# 17	mln	H90	13	C	H1'	3.37	5.97
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 393, r1= 2.87, r2= 3.37, r3= 5.97, r4= 6.47,  &end
#
# 17	mln	H90	13	C	H2'	2.71	3.10
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 409, r1= 2.21, r2= 2.71, r3= 3.10, r4= 3.60,  &end
#
# 17	mln	H90	14	A	H1'	3.31	3.52
 &rst
  ixpk= 0, nxpk= 0, iat= 584, 423, r1= 2.81, r2= 3.31, r3= 3.52, r4= 4.02,  &end
#
# 17	mln	H90	17	mln	M8	4.04	6.46
 &rst
  ixpk= 0, nxpk= 0, iat= 584,  -1, r1= 3.54, r2= 4.04, r3= 7.76, r4= 8.26,
 igr2= 579, 580, 581,
 &end
#
# 17	mln	H91	3	T	H1'	4.07	5.51
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  74, r1= 3.57, r2= 4.07, r3= 5.51, r4= 6.01,  &end
#
# 17	mln	H91	3	T	H2'	2.28	3.03
 &rst
  ixpk= 0, nxpk= 0, iat= 585,  92, r1= 1.78, r2= 2.28, r3= 3.03, r4= 3.53,  &end
#
# 17	mln	H91	4	G	H8	3.12	3.31
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 109, r1= 2.62, r2= 3.12, r3= 3.31, r4= 3.81,  &end
#
# 17	mln	H91	17	mln	H88	2.08	2.59
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 582, r1= 1.58, r2= 2.08, r3= 2.59, r4= 3.09,  &end
#
# 17	mln	H91	17	mln	H89	2.88	4.06
 &rst
  ixpk= 0, nxpk= 0, iat= 585, 583, r1= 2.38, r2= 2.88, r3= 4.06, r4= 4.56,  &end
#
# 17	mln	H92	13	C	H5	3.38	3.96
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 398, r1= 2.88, r2= 3.38, r3= 3.96, r4= 4.46,  &end
#
# 17	mln	H92	13	C	H2'	2.64	4.38
 &rst
  ixpk= 0, nxpk= 0, iat= 586, 409, r1= 2.14, r2= 2.64, r3= 4.38, r4= 4.88,  &end
#
# 17	mln	H92	17	mln	M8	2.72	2.84
 &rst
  ixpk= 0, nxpk= 0, iat= 586,  -1, r1= 2.22, r2= 2.72, r3= 3.41, r4= 3.91,
 igr2= 579, 580, 581,
 &end
#
# 17	mln	H93	13	C	H1'	3.07	4.51
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 393, r1= 2.57, r2= 3.07, r3= 4.51, r4= 5.01,  &end
#
# 17	mln	H93	13	C	H2'	2.93	4.75
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 409, r1= 2.43, r2= 2.93, r3= 4.75, r4= 5.25,  &end
#
# 17	mln	H93	17	mln	M8	4.89	5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 587,  -1, r1= 4.39, r2= 4.89, r3= 6.76, r4= 7.26,
 igr2= 579, 580, 581,
 &end
#
# 17	mln	H93	17	mln	H92	2.11	2.33
 &rst
  ixpk= 0, nxpk= 0, iat= 587, 586, r1= 1.61, r2= 2.11, r3= 2.33, r4= 2.83,  &end
#
# 17	mln	H96	11	T	H1'	3.95	5.63
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 328, r1= 3.45, r2= 3.95, r3= 5.63, r4= 6.13,  &end
#
# 17	mln	H96	11	T	H2'	2.37	2.96
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 346, r1= 1.87, r2= 2.37, r3= 2.96, r4= 3.46,  &end
#
# 17	mln	H96	17	mln	H25	2.17	2.36
 &rst
  ixpk= 0, nxpk= 0, iat= 588, 531, r1= 1.67, r2= 2.17, r3= 2.36, r4= 2.86,  &end
#
#   1  T    H3     16  A    N1      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat=  22, 497, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41, 
      rk2=20.0, rk3=20.0, ir6=1, ialtd=0,
 &end
#
#   1  T    N3     16  A    N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  21, 497, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   1  T    O4     16  A    H61     1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  20, 495, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   2  A    H61    15  T    O4      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat=  50, 465, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   2  A    N1     15  T    H3      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 467, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   2  A    N1     15  T    N3      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  52, 466, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   3  T    H3     14  A    N1      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat=  86, 433, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   3  T    N3     14  A    N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat=  85, 433, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   3  T    O4     14  A    H61     1.84   2.04  
 &rst
  ixpk= 0, nxpk= 0, iat=  84, 431, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   4  G    H1     13  C    N3      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 115, 403, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   4  G    H22    13  C    O2      1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 119, 405, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   4  G    N1     13  C    N3      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 403, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   4  G    O6     13  C    H42     1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 402, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   4  G    O6     13  C    N4      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 113, 400, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   5  C    H42    12  G    O6      1.80   2.00
 &rst
  ixpk= 0, nxpk= 0, iat= 148, 367, r1= 1.30, r2= 1.80, r3= 2.00, r4= 2.50,  &end
#
#   5  C    N3     12  G    H1      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 369, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   5  C    N3     12  G    N1      2.85   3.05
 &rst
  ixpk= 0, nxpk= 0, iat= 149, 368, r1= 2.35, r2= 2.85, r3= 3.05, r4= 3.55,  &end
#
#   5  C    N4     12  G    O6      2.81   3.01
 &rst
  ixpk= 0, nxpk= 0, iat= 146, 367, r1= 2.31, r2= 2.81, r3= 3.01, r4= 3.51,  &end
#
#   5  C    O2     12  G    H22     1.75   1.95
 &rst
  ixpk= 0, nxpk= 0, iat= 151, 373, r1= 1.25, r2= 1.75, r3= 1.95, r4= 2.45,  &end
#
#   6  A    H61    11  T    O4      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 177, 338, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   6  A    N1     11  T    H3      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 340, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   6  A    N1     11  T    N3      2.72   2.92 
 &rst
  ixpk= 0, nxpk= 0, iat= 179, 339, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   7  T    H3     10  A    N1      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 213, 306, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   7  T    N3     10  A    N1      2.72   2.92
 &rst
  ixpk= 0, nxpk= 0, iat= 212, 306, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
#
#   7  T    O4     10  A    H61     1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 211, 304, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   8  A    H61     9  T    O4      1.84   2.04
 &rst
  ixpk= 0, nxpk= 0, iat= 241, 274, r1= 1.34, r2= 1.84, r3= 2.04, r4= 2.54,  &end
#
#   8  A    N1      9  T    H3      1.71   1.91
 &rst
  ixpk= 0, nxpk= 0, iat= 243, 276, r1= 1.21, r2= 1.71, r3= 1.91, r4= 2.41,  &end
#
#   8  A    N1      9  T    N3      2.72   2.92    &rst
  ixpk= 0, nxpk= 0, iat= 243, 275, r1= 2.22, r2= 2.72, r3= 2.92, r4= 3.42,  &end
  Entry H atom name         Submitted Coord H atom name
    1    H5'   DT   1           H5'       DT   1  24.448  15.315  40.943
    2   H5''   DT   1          H5''       DT   1  23.330  16.629  40.538
    3    H4'   DT   1           H4'       DT   1  24.591  14.649  38.586
    4    H3'   DT   1           H3'       DT   1  25.178  17.515  39.323
    5    H2'   DT   1           H2'       DT   1  25.343  18.123  37.133
    6   H2''   DT   1          H2''       DT   1  26.123  16.596  36.650
    7    H1'   DT   1           H1'       DT   1  24.143  15.631  36.063
    8    H3    DT   1           H3        DT   1  21.682  18.134  33.133
    9    H71   DT   1           H71       DT   1  20.045  20.410  37.090
   10    H72   DT   1           H72       DT   1  21.561  20.565  38.012
   11    H73   DT   1           H73       DT   1  21.311  21.502  36.516
   12    H6    DT   1           H6        DT   1  22.916  18.705  37.764
   13   HO5'   DT   1          HO5'       DT   1  21.755  15.140  40.023
   14    H5'   DA   2           H5'       DA   2  28.314  15.538  36.924
   15   H5''   DA   2          H5''       DA   2  29.862  15.710  37.739
   16    H4'   DA   2           H4'       DA   2  30.093  15.789  35.343
   17    H3'   DA   2           H3'       DA   2  31.502  17.465  36.924
   18    H2'   DA   2           H2'       DA   2  29.948  19.264  36.935
   19   H2''   DA   2          H2''       DA   2  30.998  19.766  35.579
   20    H1'   DA   2           H1'       DA   2  29.532  19.029  33.963
   21    H8    DA   2           H8        DA   2  27.753  19.590  37.390
   22    H61   DA   2           H61       DA   2  23.243  21.996  33.765
   23    H62   DA   2           H62       DA   2  23.734  21.755  35.449
   24    H2    DA   2           H2        DA   2  26.294  20.424  31.158
   25    H5'   DT   3           H5'       DT   3  31.900  17.862  32.086
   26   H5''   DT   3          H5''       DT   3  33.615  18.153  31.750
   27    H4'   DT   3           H4'       DT   3  32.233  19.319  30.131
   28    H3'   DT   3           H3'       DT   3  34.066  20.732  31.904
   29    H2'   DT   3           H2'       DT   3  32.683  22.448  32.432
   30   H2''   DT   3          H2''       DT   3  32.704  22.936  30.723
   31    H1'   DT   3           H1'       DT   3  30.738  21.809  30.203
   32    H3    DT   3           H3        DT   3  27.185  23.865  32.100
   33    H72   DT   3           H71       DT   3  30.488  22.186  36.116
   34    H73   DT   3           H72       DT   3  29.681  23.764  36.254
   35    H71   DT   3           H73       DT   3  28.728  22.287  36.378
   36    H6    DT   3           H6        DT   3  31.121  21.743  33.930
   37    H5'   DG   4           H5'       DG   4  33.338  23.484  28.500
   38   H5''   DG   4          H5''       DG   4  34.803  23.377  27.522
   39    H4'   DG   4           H4'       DG   4  34.282  25.677  27.546
   40    H3'   DG   4           H3'       DG   4  36.672  24.865  29.018
   41    H2'   DG   4           H2'       DG   4  35.880  25.753  30.994
   42   H2''   DG   4          H2''       DG   4  36.529  27.266  30.279
   43    H1'   DG   4           H1'       DG   4  34.350  27.728  29.225
   44    H8    DG   4           H8        DG   4  34.910  26.771  32.862
   45    H1    DG   4           H1        DG   4  29.706  30.417  31.722
   46    H22   DG   4           H21       DG   4  30.585  29.809  28.460
   47    H21   DG   4           H22       DG   4  29.450  30.616  29.546
   48    H5'   DC   5           H5'       DC   5  34.710  26.717  25.434
   49   H5''   DC   5          H5''       DC   5  35.339  27.473  23.969
   50    H4'   DC   5           H4'       DC   5  34.347  29.269  24.948
   51    H3'   DC   5           H3'       DC   5  37.145  29.315  26.081
   52    H2'   DC   5           H2'       DC   5  36.583  31.314  27.093
   53   H2''   DC   5          H2''       DC   5  35.339  31.715  25.879
   54    H1'   DC   5           H1'       DC   5  33.712  30.704  27.005
   55    H42   DC   5           H41       DC   5  35.633  30.490  33.340
   56    H41   DC   5           H42       DC   5  34.179  31.481  33.127
   57    H5    DC   5           H5        DC   5  36.771  29.541  31.361
   58    H6    DC   5           H6        DC   5  36.597  29.274  28.913
   59    H5'   DA   6           H5'       DA   6  36.314  32.940  24.448
   60   H5''   DA   6          H5''       DA   6  37.392  33.302  23.114
   61    H4'   DA   6           H4'       DA   6  36.867  35.247  24.549
   62    H3'   DA   6           H3'       DA   6  39.529  34.379  23.704
   63    H2'   DA   6           H2'       DA   6  40.428  34.725  25.791
   64   H2''   DA   6          H2''       DA   6  40.283  36.469  25.410
   65    H1'   DA   6           H1'       DA   6  38.067  36.580  26.371
   66    H8    DA   6           H8        DA   6  40.860  34.432  27.967
   67    H61   DA   6           H61       DA   6  38.683  36.822  33.306
   68    H62   DA   6           H62       DA   6  39.995  35.878  32.586
   69    H2    DA   6           H2        DA   6  36.038  38.127  30.126
   70    H5'   DT   7           H5'       DT   7  39.842  39.848  22.557
   71   H5''   DT   7          H5''       DT   7  40.555  39.943  24.169
   72    H4'   DT   7           H4'       DT   7  37.775  38.883  23.480
   73    H3'   DT   7           H3'       DT   7  38.495  41.512  23.686
   74    H2'   DT   7           H2'       DT   7  39.516  41.380  25.803
   75   H2''   DT   7          H2''       DT   7  37.856  41.826  26.316
   76    H1'   DT   7           H1'       DT   7  37.310  39.626  26.868
   77    H3    DT   7           H3        DT   7  39.565  39.843  30.770
   78    H71   DT   7           H71       DT   7  42.649  36.837  28.611
   79    H72   DT   7           H72       DT   7  42.744  37.546  26.980
   80    H73   DT   7           H73       DT   7  43.489  38.370  28.373
   81    H6    DT   7           H6        DT   7  40.763  38.547  26.292
   82    H5'   DA   8           H5'       DA   8  35.228  42.688  26.358
   83   H5''   DA   8          H5''       DA   8  34.319  43.936  25.495
   84    H4'   DA   8           H4'       DA   8  35.104  44.946  27.504
   85    H3'   DA   8           H3'       DA   8  35.960  46.049  25.068
   86   HO3'   DA   8          HO3'       DA   8  36.109  47.921  26.299
   87    H2'   DA   8           H2'       DA   8  38.155  45.186  25.249
   88   H2''   DA   8          H2''       DA   8  38.390  46.771  26.066
   89    H1'   DA   8           H1'       DA   8  37.951  45.802  28.242
   90    H8    DA   8           H8        DA   8  40.095  44.161  25.548
   91    H61   DA   8           H61       DA   8  43.001  41.312  30.291
   92    H62   DA   8           H62       DA   8  43.043  41.548  28.537
   93    H2    DA   8           H2        DA   8  39.739  43.560  31.966
   94    H5'   DT   9           H5'       DT   9  44.365  43.886  40.686
   95   H5''   DT   9          H5''       DT   9  44.947  42.584  39.632
   96    H4'   DT   9           H4'       DT   9  43.463  45.083  38.702
   97    H3'   DT   9           H3'       DT   9  42.557  42.357  39.480
   98    H2'   DT   9           H2'       DT   9  42.036  41.725  37.368
   99   H2''   DT   9          H2''       DT   9  40.952  43.140  37.203
  100    H1'   DT   9           H1'       DT   9  42.563  44.467  36.236
  101    H3    DT   9           H3        DT   9  42.221  42.315  32.252
  102    H72   DT   9           H71       DT   9  46.459  40.327  35.071
  103    H73   DT   9           H72       DT   9  45.685  39.325  33.819
  104    H71   DT   9           H73       DT   9  46.666  40.718  33.351
  105    H6    DT   9           H6        DT   9  44.980  41.733  36.160
  106   HO5'   DT   9          HO5'       DT   9  46.688  43.944  39.976
  107    H5'   DA  10           H5'       DA  10  39.495  45.366  37.807
  108   H5''   DA  10          H5''       DA  10  38.426  45.667  39.180
  109    H4'   DA  10           H4'       DA  10  37.153  45.985  37.191
  110    H3'   DA  10           H3'       DA  10  36.280  44.322  39.176
  111    H2'   DA  10           H2'       DA  10  36.860  42.258  38.297
  112   H2''   DA  10          H2''       DA  10  35.298  42.396  37.460
  113    H1'   DA  10           H1'       DA  10  36.235  43.012  35.459
  114    H8    DA  10           H8        DA  10  38.970  41.566  37.847
  115    H61   DA  10           H61       DA  10  41.009  38.956  32.513
  116    H62   DA  10           H62       DA  10  41.347  39.019  34.249
  117    H2    DA  10           H2        DA  10  37.472  41.183  31.595
  118    H5'   DT  11           H5'       DT  11  33.045  44.207  35.721
  119   H5''   DT  11          H5''       DT  11  31.441  44.026  36.434
  120    H4'   DT  11           H4'       DT  11  31.758  42.463  34.617
  121    H3'   DT  11           H3'       DT  11  31.475  41.272  37.344
  122    H2'   DT  11           H2'       DT  11  32.483  39.328  36.701
  123   H2''   DT  11          H2''       DT  11  31.424  39.192  35.279
  124    H1'   DT  11           H1'       DT  11  32.827  40.315  33.866
  125    H3    DT  11           H3        DT  11  36.588  37.963  32.938
  126    H72   DT  11           H71       DT  11  36.352  38.744  38.342
  127    H73   DT  11           H72       DT  11  36.951  37.193  37.710
  128    H71   DT  11           H73       DT  11  37.928  38.656  37.523
  129    H6    DT  11           H6        DT  11  34.685  39.658  37.042
  130    H5'   DG  12           H5'       DG  12  27.062  38.390  36.487
  131   H5''   DG  12          H5''       DG  12  28.138  37.039  36.145
  132    H4'   DG  12           H4'       DG  12  27.290  39.054  34.030
  133    H3'   DG  12           H3'       DG  12  25.436  37.426  35.133
  134    H2'   DG  12           H2'       DG  12  26.576  35.390  35.083
  135   H2''   DG  12          H2''       DG  12  25.815  35.286  33.480
  136    H1'   DG  12           H1'       DG  12  27.769  35.730  32.367
  137    H8    DG  12           H8        DG  12  28.664  34.985  36.117
  138    H1    DG  12           H1        DG  12  32.557  32.404  31.664
  139    H22   DG  12           H21       DG  12  30.365  33.959  29.516
  140    H21   DG  12           H22       DG  12  31.788  32.924  29.656
  141    H5'   DC  13           H5'       DC  13  24.916  37.281  30.124
  142   H5''   DC  13          H5''       DC  13  23.194  36.947  29.889
  143    H4'   DC  13           H4'       DC  13  24.522  35.603  28.361
  144    H3'   DC  13           H3'       DC  13  23.045  34.156  30.529
  145    H2'   DC  13           H2'       DC  13  24.069  32.124  29.973
  146   H2''   DC  13          H2''       DC  13  24.310  32.606  28.278
  147    H1'   DC  13           H1'       DC  13  26.423  33.182  28.720
  148    H42   DC  13           H41       DC  13  27.890  31.450  34.931
  149    H41   DC  13           H42       DC  13  29.052  30.685  33.857
  150    H5    DC  13           H5        DC  13  25.985  32.680  34.130
  151    H6    DC  13           H6        DC  13  24.947  33.639  32.116
  152    H5'   DA  14           H5'       DA  14  20.012  31.117  27.269
  153   H5''   DA  14          H5''       DA  14  20.144  30.830  29.015
  154    H4'   DA  14           H4'       DA  14  22.052  29.674  26.951
  155    H3'   DA  14           H3'       DA  14  19.355  28.769  27.728
  156    H2'   DA  14           H2'       DA  14  20.095  27.304  29.287
  157   H2''   DA  14          H2''       DA  14  20.783  26.340  27.967
  158    H1'   DA  14           H1'       DA  14  22.916  27.345  28.148
  159    H8    DA  14           H8        DA  14  20.945  27.895  31.482
  160    H61   DA  14           H61       DA  14  25.598  24.530  33.925
  161    H62   DA  14           H62       DA  14  24.036  25.287  34.288
  162    H2    DA  14           H2        DA  14  26.337  24.859  29.680
  163    H5'   DT  15           H5'       DT  15  22.503  26.893  25.411
  164   H5''   DT  15          H5''       DT  15  22.124  25.960  23.956
  165    H4'   DT  15           H4'       DT  15  24.041  24.991  25.124
  166    H3'   DT  15           H3'       DT  15  21.483  23.379  25.279
  167    H2'   DT  15           H2'       DT  15  22.563  21.790  26.559
  168   H2''   DT  15          H2''       DT  15  24.147  22.110  25.808
  169    H1'   DT  15           H1'       DT  15  24.702  23.584  27.428
  170    H3    DT  15           H3        DT  15  24.034  21.869  31.480
  171    H71   DT  15           H71       DT  15  20.148  24.730  31.544
  172    H72   DT  15           H72       DT  15  19.506  24.477  29.902
  173    H73   DT  15           H73       DT  15  19.389  23.192  31.127
  174    H6    DT  15           H6        DT  15  21.157  24.099  28.323
  175    H5'   DA  16           H5'       DA  16  24.023  20.656  23.611
  176   H5''   DA  16          H5''       DA  16  23.318  19.851  22.203
  177    H4'   DA  16           H4'       DA  16  23.932  18.233  23.943
  178    H3'   DA  16           H3'       DA  16  21.380  18.306  22.731
  179   HO3'   DA  16          HO3'       DA  16  21.438  16.079  23.258
  180    H2'   DA  16           H2'       DA  16  20.252  19.048  24.643
  181   H2''   DA  16          H2''       DA  16  20.221  17.290  25.000
  182    H1'   DA  16           H1'       DA  16  22.212  17.421  26.332
  183    H8    DA  16           H8        DA  16  20.127  20.721  26.218
  184    H61   DA  16           H61       DA  16  20.233  20.124  32.432
  185    H62   DA  16           H62       DA  16  19.552  21.062  31.111
  186    H2    DA  16           H2        DA  16  22.556  16.858  30.768

  No H/Q in entry =         186