* HEADER   DEOXYRIBONUCLEIC ACID                   26-JUN-96   1UQC    
* TITLE    SELF-COMPLEMENTARY DNA 5'-D(CACGTG)2, NMR, MINIMIZED AVERAGE
* TITLE   2 STRUCTURE                                                  
* COMPND   MOL_ID: 1;                                                  
* COMPND  2 MOLECULE: DNA (5'-D(CACGTG)-3')2;                          
* COMPND  3 CHAIN: A, B;                                               
* COMPND  4 ENGINEERED: YES;                                           
* COMPND  5 OTHER_DETAILS: IN 10 MM SODIUM PHOSPHATE BUFFER AT 10 DEG. 
* COMPND  6 CELSIUS, 5.7 MM DOUBLE STRANDED CONCENTRATION              
* SOURCE   MOL_ID: 1;                                                  
* SOURCE  2 SYNTHETIC: YES                                             
* KEYWDS   DEOXYRIBONUCLEIC ACID, DNA                                  
* EXPDTA   NMR, MINIMIZED AVERAGE STRUCTURE                            
* AUTHOR   S.L.LAM,S.C.F.AU-YEUNG                                      
* REVDAT  1   27-JAN-97 1UQC    0                                      

RESTRAINT FILE:

# sequence: d(CACGTG)2
# distance constraint number   1
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.048, r2 = 2.448, r3 = 2.646, r4 = 4.646,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number   2
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.009, r2 = 2.509, r3 = 2.724, r4 = 4.724,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number   3
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.098, r2 = 2.598, r3 = 2.855, r4 = 4.855,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number   4
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.012, r2 = 3.312, r3 = 3.661, r4 = 5.661,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number   5
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 0.070, r2 = 3.070, r3 = 3.490, r4 = 5.490,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number   6
 &rst  iat =  4,  2, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 0.014, r2 = 3.914, r3 = 4.649, r4 = 6.649,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number   7
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
       r1 = 0.069, r2 = 2.569, r3 = 2.764, r4 = 4.764,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number   8
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 0.049, r2 = 3.749, r3 = 3.901, r4 = 5.901,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number   9
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.019, r2 = 2.719, r3 = 3.225, r4 = 5.225,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  10
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.048, r2 = 2.248, r3 = 2.348, r4 = 4.348,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  11
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.096, r2 = 2.296, r3 = 2.410, r4 = 4.410,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  12
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.074, r2 = 2.374, r3 = 2.506, r4 = 4.506,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  13
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 0.088, r2 = 2.788, r3 = 3.395, r4 = 5.395,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  14
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.027, r2 = 2.527, r3 = 2.716, r4 = 4.716,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  15
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 0.017, r2 = 2.717, r3 = 2.907, r4 = 4.907,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  16
 &rst  iat =  6,  4, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 0.026, r2 = 2.626, r3 = 2.967, r4 = 4.967,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  17
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.070, r2 = 2.170, r3 = 2.274, r4 = 4.274,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  18
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.076, r2 = 2.376, r3 = 2.524, r4 = 4.524,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  19
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.069, r2 = 2.369, r3 = 2.584, r4 = 4.584,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  20
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 0.025, r2 = 3.425, r3 = 3.625, r4 = 5.625,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  21
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.035, r2 = 2.635, r3 = 3.358, r4 = 5.358,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  22
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.080, r2 = 2.180, r3 = 2.380, r4 = 4.380,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  23
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.075, r2 = 2.675, r3 = 3.165, r4 = 5.165,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  24
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.036, r2 = 2.436, r3 = 2.614, r4 = 4.614,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  25
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 0.083, r2 = 2.683, r3 = 2.912, r4 = 4.912,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  26
 &rst  iat = 10,  8, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 0.013, r2 = 2.713, r3 = 2.907, r4 = 4.907,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  27
# distance constraint number  28
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.062, r2 = 2.162, r3 = 2.262, r4 = 4.262,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  29
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.053, r2 = 2.353, r3 = 2.507, r4 = 4.507,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  30
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.023, r2 = 2.323, r3 = 2.514, r4 = 4.514,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  31
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 0.049, r2 = 3.049, r3 = 3.398, r4 = 5.398,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  32
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
       r1 = 0.073, r2 = 2.873, r3 = 3.107, r4 = 5.107,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  33
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.096, r2 = 2.996, r3 = 3.858, r4 = 5.858,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  34
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.062, r2 = 2.462, r3 = 2.704, r4 = 4.704,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  35
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.027, r2 = 2.327, r3 = 2.489, r4 = 4.489,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  36
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.025, r2 = 2.725, r3 = 3.198, r4 = 5.198,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  37
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.048, r2 = 2.448, r3 = 2.646, r4 = 4.646,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  38
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.009, r2 = 2.509, r3 = 2.724, r4 = 4.724,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  39
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.098, r2 = 2.598, r3 = 2.855, r4 = 4.855,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  40
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.012, r2 = 3.312, r3 = 3.661, r4 = 5.661,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  41
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 0.070, r2 = 3.070, r3 = 3.490, r4 = 5.490,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  42
 &rst  iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 0.016, r2 = 3.916, r3 = 4.644, r4 = 6.644,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number  43
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
       r1 = 0.069, r2 = 2.569, r3 = 2.764, r4 = 4.764,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  44
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 0.049, r2 = 3.749, r3 = 3.901, r4 = 5.901,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  45
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.019, r2 = 2.719, r3 = 3.225, r4 = 5.225,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  46
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.048, r2 = 2.248, r3 = 2.348, r4 = 4.348,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  47
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.096, r2 = 2.296, r3 = 2.410, r4 = 4.410,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  48
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.074, r2 = 2.374, r3 = 2.506, r4 = 4.506,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  49
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 0.088, r2 = 2.788, r3 = 3.395, r4 = 5.395,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  50
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.027, r2 = 2.527, r3 = 2.716, r4 = 4.716,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  51
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 0.017, r2 = 2.717, r3 = 2.907, r4 = 4.907,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  52
 &rst  iat = 19, 17, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 0.025, r2 = 2.625, r3 = 2.972, r4 = 4.972,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  53
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.070, r2 = 2.170, r3 = 2.274, r4 = 4.274,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  54
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.076, r2 = 2.376, r3 = 2.524, r4 = 4.524,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  55
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.069, r2 = 2.369, r3 = 2.584, r4 = 4.584,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  56
 &rst  iat = 21, 21, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 0.025, r2 = 3.425, r3 = 3.625, r4 = 5.625,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  57
 &rst  iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.035, r2 = 2.635, r3 = 3.358, r4 = 5.358,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  58
 &rst  iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.080, r2 = 2.180, r3 = 2.380, r4 = 4.380,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  59
 &rst  iat = 21, 21, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.075, r2 = 2.675, r3 = 3.165, r4 = 5.165,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  60
 &rst  iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.036, r2 = 2.436, r3 = 2.614, r4 = 4.614,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  61
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 0.083, r2 = 2.683, r3 = 2.912, r4 = 4.912,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  62
 &rst  iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 0.013, r2 = 2.713, r3 = 2.907, r4 = 4.907,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  63
# distance constraint number  64
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.062, r2 = 2.162, r3 = 2.262, r4 = 4.262,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  65
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.053, r2 = 2.353, r3 = 2.507, r4 = 4.507,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  66
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.023, r2 = 2.323, r3 = 2.514, r4 = 4.514,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  67
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 0.049, r2 = 3.049, r3 = 3.398, r4 = 5.398,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  68
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
       r1 = 0.073, r2 = 2.873, r3 = 3.107, r4 = 5.107,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  69
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.096, r2 = 2.996, r3 = 3.858, r4 = 5.858,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  70
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.062, r2 = 2.462, r3 = 2.704, r4 = 4.704,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  71
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.027, r2 = 2.327, r3 = 2.489, r4 = 4.489,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  72
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.025, r2 = 2.725, r3 = 3.198, r4 = 5.198,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  73
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 0.070, r2 = 3.170, r3 = 3.315, r4 = 5.315,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  74
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 0.062, r2 = 3.262, r3 = 3.362, r4 = 5.362,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  75
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
       r1 = 0.035, r2 = 2.635, r3 = 2.835, r4 = 4.835,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  76
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 0.004, r2 = 3.604, r3 = 4.116, r4 = 6.116,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number  77
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.059, r2 = 3.559, r3 = 3.896, r4 = 5.896,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  78
 &rst  iat =  4,  2, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 0.031, r2 = 3.631, r3 = 3.934, r4 = 5.934,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number  79
 &rst  iat =  4,  2, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 0.098, r2 = 3.298, r3 = 3.407, r4 = 5.407,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  80
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 0.034, r2 = 3.634, r3 = 3.851, r4 = 5.851,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  81
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 0.045, r2 = 3.445, r3 = 3.645, r4 = 5.645,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  82
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 0.085, r2 = 3.585, r3 = 3.715, r4 = 5.715,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  83
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
       r1 = 0.037, r2 = 3.937, r3 = 4.153, r4 = 6.153,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number  84
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''',
       r1 = 0.085, r2 = 4.185, r3 = 5.105, r4 = 7.105,
       rk2 =5.000, rk3 =5.000, &end
# distance constraint number  85
 &rst  iat =  6,  4, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 0.041, r2 = 3.641, r3 = 4.069, r4 = 6.069,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number  86
 &rst  iat =  6,  4, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 0.067, r2 = 3.367, r3 = 3.743, r4 = 5.743,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  87
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H6',atnam(2)='H4''',
       r1 = 0.034, r2 = 3.834, r3 = 5.231, r4 = 7.231,
       rk2 =5.000, rk3 =5.000, &end
# distance constraint number  88
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 0.075, r2 = 3.675, r3 = 3.915, r4 = 5.915,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number  89
# distance constraint number  90
# distance constraint number  91
 &rst  iat =  6,  4, iresid = 1, atnam(1)='H5',atnam(2)='H2''2',
       r1 = 0.049, r2 = 3.549, r3 = 3.816, r4 = 5.816,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number  92
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
       r1 = 0.010, r2 = 2.410, r3 = 2.610, r4 = 4.610,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  93
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 0.050, r2 = 3.450, r3 = 3.635, r4 = 5.635,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  94
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.054, r2 = 3.154, r3 = 3.661, r4 = 5.661,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  95
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 0.006, r2 = 3.906, r3 = 6.221, r4 = 8.221,
       rk2 =5.000, rk3 =5.000, &end
# distance constraint number  96
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 0.009, r2 = 3.109, r3 = 3.331, r4 = 5.331,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  97
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 0.004, r2 = 3.204, r3 = 3.316, r4 = 5.316,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  98
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 0.015, r2 = 3.415, r3 = 3.810, r4 = 5.810,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number  99
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 0.051, r2 = 2.651, r3 = 4.229, r4 = 6.229,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 100
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.084, r2 = 2.684, r3 = 3.356, r4 = 5.356,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 101
 &rst  iat = 10,  8, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 0.054, r2 = 3.054, r3 = 3.471, r4 = 5.471,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 102
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H6',atnam(2)='H4''',
       r1 = 0.048, r2 = 4.048, r3 = 4.482, r4 = 6.482,
       rk2 =5.000, rk3 =5.000, &end
# distance constraint number 103
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 0.069, r2 = 3.569, r3 = 3.866, r4 = 5.866,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 104
# distance constraint number 105
 &rst  iat = 140 , 121,
       r1 = 0.044, r2 = 3.644, r3 = 4.351, r4 = 6.351,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 106
 &rst  iat = 140 , 122,
       r1 = 0.066, r2 = 3.466, r3 = 4.234, r4 = 6.234,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 107
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 0.093, r2 = 3.593, r3 = 3.767, r4 = 5.767,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 108
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 0.010, r2 = 3.210, r3 = 3.310, r4 = 5.310,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 109
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.099, r2 = 2.999, r3 = 3.241, r4 = 5.241,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 110
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''',
       r1 = 0.060, r2 = 2.660, r3 = 2.860, r4 = 4.860,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 111
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 0.075, r2 = 3.375, r3 = 3.580, r4 = 5.580,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 112
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
       r1 = 0.018, r2 = 3.918, r3 = 4.017, r4 = 6.017,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number 113
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 0.070, r2 = 3.770, r3 = 4.220, r4 = 6.220,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number 114
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 0.071, r2 = 3.871, r3 = 4.279, r4 = 6.279,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 115
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 0.070, r2 = 3.170, r3 = 3.315, r4 = 5.315,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 116
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 0.062, r2 = 3.262, r3 = 3.362, r4 = 5.362,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 117
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
       r1 = 0.035, r2 = 2.635, r3 = 2.835, r4 = 4.835,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 118
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 0.004, r2 = 3.604, r3 = 4.116, r4 = 6.116,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number 119
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.059, r2 = 3.559, r3 = 3.896, r4 = 5.896,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 120
 &rst  iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 0.031, r2 = 3.631, r3 = 3.934, r4 = 5.934,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number 121
 &rst  iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 0.098, r2 = 3.298, r3 = 3.407, r4 = 5.407,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 122
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 0.034, r2 = 3.634, r3 = 3.851, r4 = 5.851,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 123
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 0.045, r2 = 3.445, r3 = 3.645, r4 = 5.645,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 124
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 0.085, r2 = 3.585, r3 = 3.715, r4 = 5.715,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 125
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
       r1 = 0.037, r2 = 3.937, r3 = 4.153, r4 = 6.153,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number 126
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''',
       r1 = 0.085, r2 = 4.185, r3 = 5.105, r4 = 7.105,
       rk2 =5.000, rk3 =5.000, &end
# distance constraint number 127
 &rst  iat = 19, 17, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 0.041, r2 = 3.641, r3 = 4.069, r4 = 6.069,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number 128
 &rst  iat = 19, 17, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 0.067, r2 = 3.367, r3 = 3.743, r4 = 5.743,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 129
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H6',atnam(2)='H4''',
       r1 = 0.034, r2 = 3.834, r3 = 5.231, r4 = 7.231,
       rk2 =5.000, rk3 =5.000, &end
# distance constraint number 130
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 0.075, r2 = 3.675, r3 = 3.915, r4 = 5.915,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number 131
# distance constraint number 132
# distance constraint number 133
 &rst  iat = 19, 17, iresid = 1, atnam(1)='H5',atnam(2)='H2''2',
       r1 = 0.049, r2 = 3.549, r3 = 3.816, r4 = 5.816,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number 134
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
       r1 = 0.010, r2 = 2.410, r3 = 2.610, r4 = 4.610,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 135
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 0.050, r2 = 3.450, r3 = 3.635, r4 = 5.635,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 136
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.054, r2 = 3.154, r3 = 3.661, r4 = 5.661,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 137
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 0.006, r2 = 3.906, r3 = 6.221, r4 = 8.221,
       rk2 =5.000, rk3 =5.000, &end
# distance constraint number 138
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 0.009, r2 = 3.109, r3 = 3.331, r4 = 5.331,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 139
 &rst  iat = 21, 21, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 0.004, r2 = 3.204, r3 = 3.316, r4 = 5.316,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 140
 &rst  iat = 21, 21, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 0.015, r2 = 3.415, r3 = 3.810, r4 = 5.810,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 141
 &rst  iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 0.054, r2 = 2.654, r3 = 4.216, r4 = 6.216,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 142
 &rst  iat = 21, 21, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.084, r2 = 2.684, r3 = 3.356, r4 = 5.356,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 143
 &rst  iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 0.054, r2 = 3.054, r3 = 3.471, r4 = 5.471,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 144
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H6',atnam(2)='H4''',
       r1 = 0.048, r2 = 4.048, r3 = 4.482, r4 = 6.482,
       rk2 =5.000, rk3 =5.000, &end
# distance constraint number 145
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 0.069, r2 = 3.569, r3 = 3.866, r4 = 5.866,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 146
# distance constraint number 147
 &rst  iat = 329 , 310,
       r1 = 0.044, r2 = 3.644, r3 = 4.351, r4 = 6.351,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 148
 &rst  iat = 329 , 311,
       r1 = 0.066, r2 = 3.466, r3 = 4.234, r4 = 6.234,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 149
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 0.093, r2 = 3.593, r3 = 3.767, r4 = 5.767,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 150
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 0.010, r2 = 3.210, r3 = 3.310, r4 = 5.310,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 151
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.099, r2 = 2.999, r3 = 3.241, r4 = 5.241,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 152
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''',
       r1 = 0.060, r2 = 2.660, r3 = 2.860, r4 = 4.860,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 153
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 0.075, r2 = 3.375, r3 = 3.580, r4 = 5.580,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 154
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
       r1 = 0.018, r2 = 3.918, r3 = 4.017, r4 = 6.017,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number 155
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 0.070, r2 = 3.770, r3 = 4.220, r4 = 6.220,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number 156
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 0.071, r2 = 3.871, r3 = 4.279, r4 = 6.279,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 157
 &rst  iat =  4,  2, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 0.055, r2 = 4.155, r3 = 4.355, r4 = 6.355,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 158
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
       r1 = 0.005, r2 = 4.605, r3 = 4.805, r4 = 6.805,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number 159
# distance constraint number 160
 &rst  iat =  6,  4, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 0.015, r2 = 4.315, r3 = 4.515, r4 = 6.515,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 161
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 0.080, r2 = 3.680, r3 = 3.880, r4 = 5.880,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 162
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
       r1 = 0.030, r2 = 4.030, r3 = 5.120, r4 = 7.120,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 163
 &rst  iat = 10,  8, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 0.085, r2 = 3.585, r3 = 3.785, r4 = 5.785,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 164
# distance constraint number 165
 &rst  iat = 140 , 119,
       r1 = 0.025, r2 = 4.025, r3 = 4.625, r4 = 6.625,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 166
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
       r1 = 0.070, r2 = 3.770, r3 = 4.040, r4 = 6.040,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 167
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
       r1 = 0.000, r2 = 3.900, r3 = 4.180, r4 = 6.180,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 168
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.000, r2 = 1.995, r3 = 2.195, r4 = 4.195,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 169
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 0.065, r2 = 2.565, r3 = 2.765, r4 = 4.765,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 170
 &rst  iat = 17, 15, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 0.055, r2 = 4.155, r3 = 4.355, r4 = 6.355,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 171
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
       r1 = 0.005, r2 = 4.605, r3 = 4.805, r4 = 6.805,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number 172
# distance constraint number 173
 &rst  iat = 19, 17, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 0.015, r2 = 4.315, r3 = 4.515, r4 = 6.515,
       rk2 =7.000, rk3 =7.000, &end
# distance constraint number 174
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 0.080, r2 = 3.680, r3 = 3.880, r4 = 5.880,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 175
 &rst  iat = 19, 19, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
       r1 = 0.030, r2 = 4.030, r3 = 5.130, r4 = 7.130,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 176
 &rst  iat = 23, 21, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 0.085, r2 = 3.585, r3 = 3.785, r4 = 5.785,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 177
# distance constraint number 178
 &rst  iat = 329 , 308,
       r1 = 0.025, r2 = 4.025, r3 = 4.625, r4 = 6.625,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 179
 &rst  iat = 23, 23, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
       r1 = 0.070, r2 = 3.770, r3 = 4.040, r4 = 6.040,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 180
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
       r1 = 0.000, r2 = 3.900, r3 = 4.180, r4 = 6.180,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 181
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.000, r2 = 1.995, r3 = 2.195, r4 = 4.195,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 182
 &rst  iat = 25, 25, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 0.065, r2 = 2.565, r3 = 2.765, r4 = 4.765,
       rk2 =10.000, rk3 =10.000, &end
# distance constraint number 183
# distance constraint number 184

# sugar torsion from J-value (modified Karplus Equation) error +-0.5Hz
# JrMM derived sugar torsion, range +-2.5 degrees, ext. 10 degrees
# sequence: d(CACGTG)2
# sugar torsion C1,C7 , rk2, rk3 = 5 x kdist (10) = 50
 &rst  iat=6,8,9,25,r1=-31.3,r2=-21.3,r3=-16.3,r4=-6.3,rk2=50,rk3=50,&end
 &rst  iat=8,9,25,23,r1=19.9,r2=29.9,r3=34.9,r4=44.9,&end
 &rst  iat=9,25,23,6,r1=-45.0,r2=-35.0,r3=-30.0,r4=-20.0,&end
 &rst  iat=25,23,6,8,r1=10.6,r2=20.6,r3=25.6,r4=35.6,&end
 &rst  iat=23,6,8,9,r1=-15.4,r2=-5.4,r3=-0.4,r4=9.6,&end
#
 &rst  iat=195,197,198,214,r1=-31.3,r2=-21.3,r3=-16.3,r4=-6.3,&end
 &rst  iat=197,198,214,212,r1=19.9,r2=29.9,r3=34.9,r4=44.9,&end
 &rst  iat=198,214,212,195,r1=-45.0,r2=-35.0,r3=-30.0,r4=-20.0,&end
 &rst  iat=214,212,195,197,r1=10.6,r2=20.6,r3=25.6,r4=35.6,&end
 &rst  iat=212,195,197,198,r1=-15.4,r2=-5.4,r3=-0.4,r4=9.6,&end

# sugar torsion A2,A8
 &rst  iat=36,38,39,57,r1=-36.5,r2=-26.5,r3=-21.5,r4=-11.5,&end
 &rst  iat=38,39,57,55,r1=24.5,r2=34.5,r3=39.5,r4=49.5,&end
 &rst  iat=39,57,55,36,r1=-47.2,r2=-37.2,r3=-32.2,r4=-22.2,&end
 &rst  iat=57,55,36,38,r1=10.0,r2=20.0,r3=25.0,r4=35.0,&end
 &rst  iat=55,36,38,39,r1=-11.7,r2=-1.7,r3=3.3,r4=13.3,&end
#
 &rst  iat=225,227,228,246,r1=-36.5,r2=-26.5,r3=-21.5,r4=-11.5,&end
 &rst  iat=227,228,246,244,r1=24.5,r2=34.5,r3=39.5,r4=49.5,&end
 &rst  iat=228,246,244,225,r1=-47.2,r2=-37.2,r3=-32.2,r4=-22.2,&end
 &rst  iat=246,244,225,227,r1=10.0,r2=20.0,r3=25.0,r4=35.0,&end
 &rst  iat=244,225,227,228,r1=-11.7,r2=-1.7,r3=3.3,r4=13.3,&end

# sugar torsion C3,C9
 &rst  iat=68,70,71,87,r1=-34.0,r2=-24.0,r3=-19.0,r4=-9.0,&end
 &rst  iat=70,71,87,85,r1=21.9,r2=31.9,r3=36.9,r4=46.9,&end
 &rst  iat=71,87,85,68,r1=-45.6,r2=-35.6,r3=-30.6,r4=-20.6,&end
 &rst  iat=87,85,68,70,r1=9.7,r2=19.7,r3=24.7,r4=34.7,&end
 &rst  iat=85,68,70,71,r1=-13.1,r2=-3.1,r3=1.9,r4=11.9,&end
#
 &rst  iat=257,259,260,276,r1=-34.0,r2=-24.0,r3=-19.0,r4=-9.0,&end
 &rst  iat=259,260,276,274,r1=21.9,r2=31.9,r3=36.9,r4=46.9,&end
 &rst  iat=260,276,274,257,r1=-45.6,r2=-35.6,r3=-30.6,r4=-20.6,&end
 &rst  iat=276,274,257,259,r1=9.7,r2=19.7,r3=24.7,r4=34.7,&end
 &rst  iat=274,257,259,260,r1=-13.1,r2=-3.1,r3=1.9,r4=11.9,&end

# sugar torsion G4,G10
 &rst  iat=98,100,101,120,r1=-37.7,r2=-27.7,r3=-22.7,r4=-12.7,&end
 &rst  iat=100,101,120,118,r1=25.1,r2=35.1,r3=40.1,r4=50.1,&end
 &rst  iat=101,120,118,98,r1=-46.9,r2=-36.9,r3=-31.9,r4=-21.9,&end
 &rst  iat=120,118,98,100,r1=9.0,r2=19.0,r3=24.0,r4=34.0,&end
 &rst  iat=118,98,100,101,r1=-10.4,r2=-0.4,r3=4.6,r4=14.6,&end
#
 &rst  iat=287,289,290,309,r1=-37.7,r2=-27.7,r3=-22.7,r4=-12.7,&end
 &rst  iat=289,290,309,307,r1=25.1,r2=35.1,r3=40.1,r4=50.1,&end
 &rst  iat=290,309,307,287,r1=-46.9,r2=-36.9,r3=-31.9,r4=-21.9,&end
 &rst  iat=309,307,287,289,r1=9.0,r2=19.0,r3=24.0,r4=34.0,&end
 &rst  iat=307,287,289,290,r1=-10.4,r2=-0.4,r3=4.6,r4=14.6,&end

# sugar torsion T5,T11
 &rst  iat=131,133,134,152,r1=-33.7,r2=-23.7,r3=-18.7,r4=-8.7,&end
 &rst  iat=133,134,152,150,r1=21.5,r2=31.5,r3=36.5,r4=46.5,&end
 &rst  iat=134,152,150,131,r1=-45.3,r2=-35.3,r3=-30.3,r4=-20.3,&end
 &rst  iat=152,150,131,133,r1=9.5,r2=19.5,r3=24.5,r4=34.5,&end
 &rst  iat=150,131,133,134,r1=-13.2,r2=-3.2,r3=1.8,r4=11.8,&end
#
 &rst  iat=320,322,323,341,r1=-33.7,r2=-23.7,r3=-18.7,r4=-8.7,&end
 &rst  iat=322,323,341,339,r1=21.5,r2=31.5,r3=36.5,r4=46.5,&end
 &rst  iat=323,341,339,320,r1=-45.3,r2=-35.3,r3=-30.3,r4=-20.3,&end
 &rst  iat=341,339,320,322,r1=9.5,r2=19.5,r3=24.5,r4=34.5,&end
 &rst  iat=339,320,322,323,r1=-13.2,r2=-3.2,r3=1.8,r4=11.8,&end

# sugar torsion G6,G12
 &rst  iat=163,165,166,185,r1=-32.9,r2=-22.9,r3=-17.9,r4=-7.9,&end
 &rst  iat=165,166,185,183,r1=21.8,r2=31.8,r3=36.8,r4=46.8,&end
 &rst  iat=166,185,183,163,r1=-46.3,r2=-36.3,r3=-31.3,r4=-21.3,&end
 &rst  iat=185,183,163,165,r1=11.2,r2=21.2,r3=26.2,r4=36.2,&end
 &rst  iat=183,163,165,166,r1=-14.8,r2=-4.8,r3=0.2,r4=10.2,&end
#
 &rst  iat=352,354,355,374,r1=-32.9,r2=-22.9,r3=-17.9,r4=-7.9,&end
 &rst  iat=354,355,374,372,r1=21.8,r2=31.8,r3=36.8,r4=46.8,&end
 &rst  iat=355,374,372,352,r1=-46.3,r2=-36.3,r3=-31.3,r4=-21.3,&end
 &rst  iat=374,372,352,354,r1=11.2,r2=21.2,r3=26.2,r4=36.2,&end
 &rst  iat=372,352,354,355,r1=-14.8,r2=-4.8,r3=0.2,r4=10.2,&end

# r1=0, r4=r3+0.3; ref.: James (1994) Biochemistry 33, 354
# H-bond distance C1-G12, rk2, rk3 = 50% of kdist (10) = 5
 &rst iat=17,363,-1,-1,iresid=0,r1=0,r2=2.81,r3=3.01,r4=3.31,
                                rk2=5,rk3=5,&end
 &rst iat=20,364,r1=0,r2=2.85,r3=3.05,r4=3.35,&end
 &rst iat=22,367,r1=0,r2=2.76,r3=2.96,r4=3.26,&end
# H-bond distance A2-A11
 &rst iat=47,334,-1,-1,r1=0,r2=2.85,r3=3.05,r4=3.35,&end
 &rst iat=50,335,-1,-1,r1=0,r2=2.72,r3=2.92,r4=3.22,&end
# H-bond distance C3-G10
 &rst iat=79,298,-1,-1,r1=0,r2=2.81,r3=3.01,r4=3.31,&end
 &rst iat=82,299,-1,-1,r1=0,r2=2.85,r3=3.05,r4=3.35,&end
 &rst iat=84,302,-1,-1,r1=0,r2=2.76,r3=2.96,r4=3.26,&end
# H-bond distance G4-C9
 &rst iat=109,268,-1,-1,r1=0,r2=2.81,r3=3.01,r4=3.31,&end
 &rst iat=110,271,-1,-1,r1=0,r2=2.85,r3=3.05,r4=3.35,&end
 &rst iat=113,273,-1,-1,r1=0,r2=2.76,r3=2.96,r4=3.26,&end
# H-bond distance T5-T8
 &rst iat=145,236,-1,-1,r1=0,r2=2.85,r3=3.05,r4=3.35,&end
 &rst iat=146,239,-1,-1,r1=0,r2=2.72,r3=2.92,r4=3.22,&end
# H-bond distance G6-C7
 &rst iat=174,206,-1,-1,r1=0,r2=2.81,r3=3.01,r4=3.31,&end
 &rst iat=175,209,-1,-1,r1=0,r2=2.85,r3=3.05,r4=3.35,&end
 &rst iat=178,211,-1,-1,r1=0,r2=2.76,r3=2.96,r4=3.26,&end

# assume 'with parabolic regions continuing on either side for 20 degree'
# means r1=r2-20, r4=r3+20, rk2, rk3 = 50 % of kdist (10) = 5
# H-bond angle C1-G12
 &rst iat=17,18,363,-1,iresid=0,r1=150,r2=170,r3=190,r4=210,
                                rk2=5,rk3=5,&end
 &rst iat=20,365,364,-1,r2=170,r3=190,&end
 &rst iat=22,368,367,-1,r2=170,r3=190,&end
# H-bond angle A2-A11
 &rst iat=47,48,334,-1,r2=170,r3=190,&end
 &rst iat=50,336,335,-1,r2=170,r3=190,&end
# H-bond angle C3-G10
 &rst iat=79,80,298,-1,r2=170,r3=190,&end
 &rst iat=82,300,299,-1,r2=170,r3=190,&end
 &rst iat=84,303,302,-1,r2=170,r3=190,&end
# H-bond angle G4-C9
 &rst iat=109,269,268,-1,r2=170,r3=190,&end
 &rst iat=110,111,271,-1,r2=170,r3=190,&end
 &rst iat=113,114,273,-1,r2=170,r3=190,&end
# H-bond angle T5-T8
 &rst iat=145,237,236,-1,r2=170,r3=190,&end
 &rst iat=146,147,239,-1,r2=170,r3=190,&end
# H-bond angle G6-C7
 &rst iat=174,207,206,-1,r2=170,r3=190,&end
 &rst iat=175,176,209,-1,r2=170,r3=190,&end
 &rst iat=178,179,211,-1,r2=170,r3=190,&end


# sequence: d(CACGTG)2
# backbone torsion; belta and epsilon (can be determined from HSQC expt.)
# the following torsion angles are in the order of:
# C4'-C5'-O5'-P (beta); C4'-C3'-O3'-P(n+1) (epsilon); H3'-C3'-O3'-P(n+1)
# +/- 2.5 Hz => +/- 2.5 deg. extending 10 deg. at each side.
#
# from C1 and C7   =================================================
 &rst  iat=6,23,28,29,r1=-163.1,r2=-153.1,r3=-148.1,r4=-138.1,
       rk2=50,rk3=50,&end
 &rst  iat=195,212,217,218,r1=-163.1,r2=-153.1,r3=-148.1,r4=-138.1,&end
 &rst  iat=24,23,28,29,r1=-41.3,r2=-31.3,r3=-26.3,r4=-16.3,&end
 &rst  iat=213,212,217,218,r1=-41.3,r2=-31.3,r3=-26.3,r4=-16.3,&end
# from A2 and A8   =================================================
 &rst  iat=29,32,33,36,r1=155.1,r2=165.1,r3=170.1,r4=180.1,
       rk2=50,rk3=50,&end
 &rst  iat=36,55,60,61,r1=-180.1,r2=-170.1,r3=-165.1,r4=-155.1,
       rk2=50,rk3=50,&end
 &rst  iat=56,55,60,61,r1=-59.8,r2=-49.8,r3=-44.8,r4=-34.8,&end
 &rst  iat=218,221,222,225,r1=155.1,r2=165.1,r3=170.1,r4=180.1,
       rk2=50,rk3=50,&end
 &rst  iat=225,244,249,250,r1=-180.1,r2=-170.1,r3=-165.1,r4=-155.1,
       rk2=50,rk3=50,&end
 &rst  iat=245,244,249,250,r1=-59.8,r2=-49.8,r3=-44.8,r4=-34.8,&end
# from C3 and C9   =================================================
 &rst  iat=61,64,65,68,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8,
       rk2=50,rk3=50,&end
 &rst  iat=68,85,90,91,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8,
       rk2=50,rk3=50,&end
 &rst  iat=86,85,90,91,r1=-53.6,r2=-43.6,r3=-38.6,r4=-28.6,&end
 &rst  iat=250,253,254,257,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8,
       rk2=50,rk3=50,&end
 &rst  iat=257,274,279,280,r1=-174.8,r2=-164.8,r3=-159.8,r4=-149.8,
       rk2=50,rk3=50,&end
 &rst  iat=275,274,279,280,r1=-53.6,r2=-43.6,r3=-38.6,r4=-28.6,&end
# from G4 and G10   =================================================
 &rst  iat=91,94,95,98,r1=167.5,r2=177.5,r3=182.5,r4=192.5,
       rk2=50,rk3=50,&end
 &rst  iat=98,118,123,124,r1=167.5,r2=177.5,r3=182.5,r4=192.5,
       rk2=50,rk3=50,&end
 &rst  iat=119,118,123,124,r1=-72.5,r2=-62.5,r3=-57.5,r4=-47.5,&end
 &rst  iat=280,283,284,287,r1=167.5,r2=177.5,r3=182.5,r4=192.5,
       rk2=50,rk3=50,&end
 &rst  iat=287,307,312,313,r1=167.5,r2=177.5,r3=182.5,r4=192.5,
       rk2=50,rk3=50,&end
 &rst  iat=308,307,312,313,r1=-72.5,r2=-62.5,r3=-57.5,r4=-47.5,&end
# from T5 and T11   =================================================
 &rst  iat=124,127,128,131,r1=-177.2,r2=-167.2,r3=-162.2,r4=-152.2,
       rk2=50,rk3=50,&end
 &rst  iat=131,150,155,156,r1=-177.2,r2=-167.2,r3=-162.2,r4=-152.2,
       rk2=50,rk3=50,&end
 &rst  iat=151,150,155,156,r1=-58.2,r2=-48.2,r3=-43.2,r4=-33.2,&end
 &rst  iat=313,316,317,320,r1=-177.2,r2=-167.2,r3=-162.2,r4=-152.2,
       rk2=50,rk3=50,&end
 &rst  iat=320,339,344,345,r1=-177.2,r2=-167.2,r3=-162.2,r4=-152.2,
       rk2=50,rk3=50,&end
 &rst  iat=340,339,344,345,r1=-58.2,r2=-48.2,r3=-43.2,r4=-33.2,&end
# from G6 and G12  ==================================================
 &rst  iat=156,159,160,163,r1=147.6,r2=157.6,r3=162.6,r4=172.6,
       rk2=50,rk3=50,&end
 &rst  iat=345,348,349,352,r1=147.6,r2=157.6,r3=162.6,r4=172.6,
       rk2=50,rk3=50,&end


  Entry H atom name         Submitted Coord H atom name
    1   1H5*    C   1           H5'1       C   1   1.205 -10.380  -8.627
    2   2H5*    C   1           H5'2       C   1   1.315 -11.106  -7.015
    3    H4*    C   1           H4'        C   1   3.296  -9.807  -7.446
    4    H3*    C   1           H3'        C   1   1.886  -9.597  -5.179
    5   1H2*    C   1           H2'1       C   1   1.938  -6.481  -5.284
    6   2H2*    C   1           H2'2       C   1   0.696  -7.496  -5.630
    7    H1*    C   1           H1'        C   1   3.402  -6.628  -7.297
    8   1H4     C   1           H41        C   1  -1.948  -2.961  -8.927
    9   2H4     C   1           H42        C   1  -0.667  -1.845  -8.503
   10    H5     C   1           H5         C   1  -1.652  -5.435  -8.759
   11    H6     C   1           H6         C   1   0.041  -7.190  -8.115
   12    H5T    C   1           H5'        C   1  -0.053  -9.458  -6.254
   13   1H5*    A   2           H5'1       A   2   6.672  -8.190  -5.107
   14   2H5*    A   2           H5'2       A   2   7.258  -8.607  -3.482
   15    H4*    A   2           H4'        A   2   8.244  -6.517  -4.494
   16    H3*    A   2           H3'        A   2   7.488  -6.673  -1.796
   17   1H2*    A   2           H2'1       A   2   6.342  -4.354  -1.647
   18   2H2*    A   2           H2'2       A   2   5.463  -5.809  -1.809
   19    H1*    A   2           H1'        A   2   6.334  -3.677  -3.871
   20    H8     A   2           H8         A   2   3.667  -6.282  -2.868
   21   1H6     A   2           H61        A   2  -0.057  -3.282  -4.062
   22   2H6     A   2           H62        A   2  -0.143  -1.679  -4.772
   23    H2     A   2           H2         A   2   4.351  -0.499  -5.028
   24   1H5*    C   3           H5'1       C   3   8.798  -2.037  -2.551
   25   2H5*    C   3           H5'2       C   3   9.905  -1.856  -1.180
   26    H4*    C   3           H4'        C   3   8.639   0.144  -1.405
   27    H3*    C   3           H3'        C   3   8.642  -1.056   1.031
   28   1H2*    C   3           H2'1       C   3   6.166  -0.052   1.625
   29   2H2*    C   3           H2'2       C   3   6.470  -1.705   1.356
   30    H1*    C   3           H1'        C   3   5.823   0.645  -0.609
   31   1H4     C   3           H41        C   3   0.918  -3.915  -0.797
   32   2H4     C   3           H42        C   3   0.282  -2.345  -1.286
   33    H5     C   3           H5         C   3   3.252  -4.126  -0.007
   34    H6     C   3           H6         C   3   5.433  -2.948   0.092
   35   1H5*    G   4           H5'1       G   4   7.535   3.910   0.632
   36   2H5*    G   4           H5'2       G   4   8.177   4.556   2.150
   37    H4*    G   4           H4'        G   4   6.335   5.890   1.522
   38    H3*    G   4           H3'        G   4   6.219   4.737   4.100
   39   1H2*    G   4           H2'1       G   4   3.672   4.268   3.965
   40   2H2*    G   4           H2'2       G   4   4.585   2.941   3.411
   41    H1*    G   4           H1'        G   4   3.183   4.994   1.841
   42    H8     G   4           H8         G   4   5.125   1.773   1.346
   43    H1     G   4           H1         G   4  -1.119   0.458   1.633
   44   1H2     G   4           H21        G   4  -1.438   3.995   1.741
   45   2H2     G   4           H22        G   4  -2.273   2.441   1.779
   46   1H5*    T   5           H5'1       T   5   2.212   6.928   2.765
   47   2H5*    T   5           H5'2       T   5   2.042   8.207   3.985
   48    H4*    T   5           H4'        T   5  -0.233   7.241   3.573
   49    H3*    T   5           H3'        T   5   0.768   7.362   6.054
   50   1H2*    T   5           H2'1       T   5  -1.363   5.889   6.230
   51   2H2*    T   5           H2'2       T   5   0.222   5.221   6.706
   52    H1*    T   5           H1'        T   5  -1.641   4.918   4.251
   53    H3     T   5           H3         T   5  -1.168   0.387   5.110
   54   1H5M    T   5           H          T   5   3.565   2.907   6.254
   55   2H5M    T   5           H          T   5   2.839   1.807   7.450
   56   3H5M    T   5           H          T   5   3.555   1.154   5.961
   57    H6     T   5           H6         T   5   1.724   4.186   5.383
   58   1H5*    G   6           H5'1       G   6  -3.852   7.539   5.574
   59   2H5*    G   6           H5'2       G   6  -4.631   8.617   6.742
   60    H4*    G   6           H4'        G   6  -5.811   6.523   6.429
   61    H3*    G   6           H3'        G   6  -5.252   7.575   9.008
   62   1H2*    G   6           H2'1       G   6  -4.623   4.976  10.027
   63   2H2*    G   6           H2'2       G   6  -3.487   6.003   9.409
   64    H1*    G   6           H1'        G   6  -5.339   3.887   8.032
   65    H8     G   6           H8         G   6  -2.094   5.212   8.288
   66    H1     G   6           H1         G   6  -2.040  -1.214   8.065
   67   1H2     G   6           H21        G   6  -5.504  -0.636   7.665
   68   2H2     G   6           H22        G   6  -4.243  -1.846   7.720
   69   1H5*    C   7           H5'1       C   7  -2.465  -9.679   9.179
   70   2H5*    C   7           H5'2       C   7  -2.687 -10.486   7.616
   71    H4*    C   7           H4'        C   7  -4.489  -8.931   7.960
   72    H3*    C   7           H3'        C   7  -3.069  -9.028   5.693
   73   1H2*    C   7           H2'1       C   7  -2.724  -5.931   5.616
   74   2H2*    C   7           H2'2       C   7  -1.622  -7.074   6.030
   75    H1*    C   7           H1'        C   7  -4.195  -5.774   7.623
   76   1H4     C   7           H41        C   7   1.573  -2.723   9.085
   77   2H4     C   7           H42        C   7   0.443  -1.481   8.583
   78    H5     C   7           H5         C   7   0.967  -5.145   9.057
   79    H6     C   7           H6         C   7  -0.934  -6.708   8.501
   80    H5T    C   7           H5'        C   7  -0.536  -9.809   7.958
   81   1H5*    A   8           H5'1       A   8  -7.632  -7.022   5.516
   82   2H5*    A   8           H5'2       A   8  -8.276  -7.459   3.918
   83    H4*    A   8           H4'        A   8  -8.978  -5.199   4.795
   84    H3*    A   8           H3'        A   8  -8.262  -5.624   2.119
   85   1H2*    A   8           H2'1       A   8  -6.818  -3.486   1.819
   86   2H2*    A   8           H2'2       A   8  -6.140  -5.031   2.085
   87    H1*    A   8           H1'        A   8  -6.725  -2.678   4.005
   88    H8     A   8           H8         A   8  -4.413  -5.656   3.179
   89   1H6     A   8           H61        A   8  -0.334  -3.085   4.228
   90   2H6     A   8           H62        A   8  -0.048  -1.466   4.844
   91    H2     A   8           H2         A   8  -4.355   0.284   4.995
   92   1H5*    C   9           H5'1       C   9  -8.954  -0.825   2.613
   93   2H5*    C   9           H5'2       C   9 -10.040  -0.572   1.237
   94    H4*    C   9           H4'        C   9  -8.542   1.265   1.364
   95    H3*    C   9           H3'        C   9  -8.698  -0.039  -1.013
   96   1H2*    C   9           H2'1       C   9  -6.121   0.630  -1.648
   97   2H2*    C   9           H2'2       C   9  -6.620  -0.960  -1.300
   98    H1*    C   9           H1'        C   9  -5.689   1.387   0.551
   99   1H4     C   9           H41        C   9  -1.376  -3.724   0.985
  100   2H4     C   9           H42        C   9  -0.551  -2.222   1.397
  101    H5     C   9           H5         C   9  -3.719  -3.686   0.196
  102    H6     C   9           H6         C   9  -5.739  -2.254   0.030
  103   1H5*    G  10           H5'1       G  10  -6.983   4.765  -0.847
  104   2H5*    G  10           H5'2       G  10  -7.549   5.414  -2.393
  105    H4*    G  10           H4'        G  10  -5.552   6.537  -1.830
  106    H3*    G  10           H3'        G  10  -5.596   5.259  -4.350
  107   1H2*    G  10           H2'1       G  10  -3.125   4.488  -4.194
  108   2H2*    G  10           H2'2       G  10  -4.190   3.310  -3.578
  109    H1*    G  10           H1'        G  10  -2.536   5.246  -2.108
  110    H8     G  10           H8         G  10  -4.857   2.317  -1.460
  111    H1     G  10           H1         G  10   1.176   0.228  -1.663
  112   1H2     G  10           H21        G  10   1.929   3.689  -1.952
  113   2H2     G  10           H22        G  10   2.565   2.043  -1.909
  114   1H5*    T  11           H5'1       T  11  -1.341   7.007  -3.125
  115   2H5*    T  11           H5'2       T  11  -1.024   8.194  -4.408
  116    H4*    T  11           H4'        T  11   1.118   6.975  -3.948
  117    H3*    T  11           H3'        T  11   0.126   7.098  -6.433
  118   1H2*    T  11           H2'1       T  11   2.057   5.365  -6.534
  119   2H2*    T  11           H2'2       T  11   0.399   4.876  -6.977
  120    H1*    T  11           H1'        T  11   2.224   4.467  -4.509
  121    H3     T  11           H3         T  11   1.192  -0.007  -5.143
  122   1H5M    T  11           H          T  11  -2.618   1.784  -7.559
  123   2H5M    T  11           H          T  11  -3.403   1.290  -6.044
  124   3H5M    T  11           H          T  11  -3.201   3.016  -6.415
  125    H6     T  11           H6         T  11  -1.212   4.101  -5.609
  126   1H5*    G  12           H5'1       G  12   4.732   6.715  -5.962
  127   2H5*    G  12           H5'2       G  12   5.634   7.627  -7.181
  128    H4*    G  12           H4'        G  12   6.542   5.419  -6.768
  129    H3*    G  12           H3'        G  12   6.099   6.404  -9.396
  130   1H2*    G  12           H2'1       G  12   5.145   3.856 -10.282
  131   2H2*    G  12           H2'2       G  12   4.150   5.046  -9.716
  132    H1*    G  12           H1'        G  12   5.734   2.788  -8.235
  133    H8     G  12           H8         G  12   2.678   4.491  -8.555
  134    H1     G  12           H1         G  12   1.828  -1.860  -8.010
  135   1H2     G  12           H21        G  12   5.339  -1.699  -7.643
  136   2H2     G  12           H22        G  12   3.937  -2.743  -7.634
   
  No H/Q in entry =         136