*HEADER    DNA/RNA                                 18-MAR-11   2LAR              
*TITLE     DNA / RNA HYBRID CONTAINING A CENTRAL STEREO SPECIFIC RP BORANO       
*TITLE    2 PHOSPHATE LINKAGE                                                    
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA_(5'-D(*AP*TP*GP*GP*TP*BGR*CP*TP*C)-3')_;               
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: RNA_(5'-R(*GP*AP*GP*CP*AP*CP*CP*AP*U)-3')_;                
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 MOL_ID: 2;                                                           
*SOURCE   4 SYNTHETIC: YES                                                       
*KEYWDS    NUCLEIC ACID HETERODUPLEX, RNASE H1 ACTIVITY, DNA-RNA COMPLEX         
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    C.N.JOHNSON, A.M.SPRING, B.R.SHAW, M.W.GERMANN                        
*REVDAT   1   12-OCT-11 2LAR    0                                                


# distance constraint number   1
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 0.850, r2 = 2.850, r3 = 2.950, r4 = 4.950,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number   2
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.050, r2 = 4.050, r3 = 5.410, r4 = 7.410,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number   3
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.870, r2 = 3.870, r3 = 4.890, r4 = 6.890,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number   4
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.800, r2 = 3.800, r3 = 4.580, r4 = 6.580,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number   5
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.310, r2 = 3.310, r3 = 4.130, r4 = 6.130,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number   6
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.810, r2 = 2.810, r3 = 2.920, r4 = 4.920,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number   7
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.350, r2 = 2.350, r3 = 2.460, r4 = 4.460,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number   8
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 1.900, r2 = 3.900, r3 = 5.860, r4 = 7.860,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number   9
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 1.100, r2 = 3.100, r3 = 3.450, r4 = 5.450,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  10
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 1.790, r2 = 3.790, r3 = 4.390, r4 = 6.390,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  11
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.770, r2 = 3.770, r3 = 5.000, r4 = 7.000,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  12
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 1.530, r2 = 3.530, r3 = 4.350, r4 = 6.350,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  13
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 0.700, r2 = 2.700, r3 = 2.890, r4 = 4.890,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  14
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 0.780, r2 = 2.780, r3 = 3.000, r4 = 5.000,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  15
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.110, r2 = 3.110, r3 = 3.430, r4 = 5.430,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  16
 &rst  iat = -1 ,  10,ir6=1,
       igr1 =  48,  49,  50,
       r1 = 3.220, r2 = 5.220, r3 = 6.850, r4 = 8.850,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  17
 &rst  iat = -1 ,  13,
       igr1 =  48,  49,  50,
       r1 = 2.180, r2 = 4.180, r3 = 4.430, r4 = 6.430,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  18
 &rst  iat = -1 ,  22,
       igr1 =  48,  49,  50,
       r1 = 2.630, r2 = 4.630, r3 = 5.660, r4 = 7.660,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  19
 &rst  iat = -1 ,  26,
       igr1 =  48,  49,  50,
       r1 = 2.110, r2 = 4.110, r3 = 4.330, r4 = 6.330,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  20
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.640, r2 = 3.640, r3 = 4.570, r4 = 6.570,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  21
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.690, r2 = 3.690, r3 = 5.100, r4 = 7.100,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  22
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.130, r2 = 3.130, r3 = 3.710, r4 = 5.710,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  23
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.000, r2 = 1.930, r3 = 2.050, r4 = 4.050,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  24
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.240, r2 = 2.240, r3 = 2.370, r4 = 4.370,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  25
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 1.200, r2 = 3.200, r3 = 3.820, r4 = 5.820,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  26
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.040, r2 = 3.040, r3 = 3.160, r4 = 5.160,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  27
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 1.540, r2 = 3.540, r3 = 4.330, r4 = 6.330,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  28
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.270, r2 = 3.270, r3 = 4.360, r4 = 6.360,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  29
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 0.490, r2 = 2.490, r3 = 2.610, r4 = 4.610,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  30
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.230, r2 = 3.230, r3 = 3.360, r4 = 5.360,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  31
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.860, r2 = 3.860, r3 = 4.750, r4 = 6.750,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  32
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.380, r2 = 3.380, r3 = 3.710, r4 = 5.710,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  33
 &rst  iat =  4,  3, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 2.140, r2 = 4.140, r3 = 5.050, r4 = 7.050,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  34
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.340, r2 = 3.340, r3 = 3.530, r4 = 5.530,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  35
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.670, r2 = 2.670, r3 = 2.750, r4 = 4.750,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  36
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.410, r2 = 2.410, r3 = 2.490, r4 = 4.490,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  37
 &rst  iat =  5,  4, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 1.150, r2 = 3.150, r3 = 3.450, r4 = 5.450,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  38
 &rst  iat = -1 , 110,
       igr1 = 146, 147, 148,
       r1 = 1.800, r2 = 3.800, r3 = 3.910, r4 = 5.910,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  39
 &rst  iat = -1 , 126,
       igr1 = 146, 147, 148,
       r1 = 1.160, r2 = 3.160, r3 = 3.340, r4 = 5.340,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  40
 &rst  iat = -1 , 143,
       igr1 = 146, 147, 148,
       r1 = 0.950, r2 = 2.950, r3 = 3.010, r4 = 5.010,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  41
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 0.960, r2 = 2.960, r3 = 3.050, r4 = 5.050,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  42
 &rst  iat = 156, -1 ,
       igr2 = 146, 147, 148,
       r1 = 2.660, r2 = 4.660, r3 = 6.010, r4 = 8.010,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  43
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.510, r2 = 2.510, r3 = 2.610, r4 = 4.610,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  44
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.860, r2 = 2.860, r3 = 3.400, r4 = 5.400,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  45
 &rst  iat =  6,  5, iresid = 1, atnam(1)='H8',atnam(2)='H6',
       r1 = 1.430, r2 = 3.430, r3 = 3.850, r4 = 5.850,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  46
 &rst  iat = 175, -1 ,
       igr2 = 146, 147, 148,
       r1 = 3.080, r2 = 5.080, r3 = 6.530, r4 = 8.530,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  47
 &rst  iat =  6,  5, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 1.620, r2 = 3.620, r3 = 4.050, r4 = 6.050,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  48
 &rst  iat =  6,  5, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 0.830, r2 = 2.830, r3 = 2.990, r4 = 4.990,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  49
 &rst  iat =  6,  5, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 0.820, r2 = 2.820, r3 = 3.070, r4 = 5.070,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  50
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.230, r2 = 3.230, r3 = 3.390, r4 = 5.390,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  51
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.220, r2 = 3.220, r3 = 3.780, r4 = 5.780,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  52
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 1.660, r2 = 3.660, r3 = 4.190, r4 = 6.190,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  53
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.550, r2 = 3.550, r3 = 4.230, r4 = 6.230,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  54
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 0.690, r2 = 2.690, r3 = 2.860, r4 = 4.860,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  55
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 2.430, r2 = 4.430, r3 = 5.890, r4 = 7.890,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  56
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.660, r2 = 2.660, r3 = 3.160, r4 = 5.160,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  57
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.460, r2 = 2.460, r3 = 2.560, r4 = 4.560,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  58
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.470, r2 = 2.470, r3 = 2.520, r4 = 4.520,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  59
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.100, r2 = 2.100, r3 = 2.220, r4 = 4.220,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  60
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 1.200, r2 = 3.200, r3 = 3.480, r4 = 5.480,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  61
 &rst  iat =  8,  7, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.860, r2 = 3.860, r3 = 4.980, r4 = 6.980,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  62
 &rst  iat =  8,  7, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 1.450, r2 = 3.450, r3 = 4.270, r4 = 6.270,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  63
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.260, r2 = 3.260, r3 = 3.750, r4 = 5.750,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  64
 &rst  iat = -1 , 208,
       igr1 = 244, 245, 246,
       r1 = 2.850, r2 = 4.850, r3 = 5.930, r4 = 7.930,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  65
 &rst  iat = -1 , 211,
       igr1 = 244, 245, 246,
       r1 = 1.690, r2 = 3.690, r3 = 3.880, r4 = 5.880,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  66
 &rst  iat = -1 , 213,
       igr1 = 244, 245, 246,
       r1 = 1.680, r2 = 3.680, r3 = 3.810, r4 = 5.810,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  67
 &rst  iat = -1 , 222,
       igr1 = 244, 245, 246,
       r1 = 1.520, r2 = 3.520, r3 = 3.650, r4 = 5.650,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  68
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.580, r2 = 3.580, r3 = 4.210, r4 = 6.210,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  69
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 0.780, r2 = 2.780, r3 = 2.990, r4 = 4.990,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  70
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.750, r2 = 2.750, r3 = 3.550, r4 = 5.550,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  71
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.360, r2 = 2.360, r3 = 2.420, r4 = 4.420,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  72
 &rst  iat =  9,  8, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.000, r2 = 3.000, r3 = 3.860, r4 = 5.860,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  73
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.190, r2 = 3.190, r3 = 3.700, r4 = 5.700,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  74
 &rst  iat =  9,  8, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 0.930, r2 = 2.930, r3 = 3.240, r4 = 5.240,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  75
 &rst  iat = 275, -1 ,
       igr2 = 244, 245, 246,
       r1 = 2.170, r2 = 4.170, r3 = 4.660, r4 = 6.660,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  76
 &rst  iat =  9,  8, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
       r1 = 1.310, r2 = 3.310, r3 = 3.600, r4 = 5.600,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  77
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.610, r2 = 3.610, r3 = 4.280, r4 = 6.280,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  78
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.240, r2 = 3.240, r3 = 4.660, r4 = 6.660,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  79
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.170, r2 = 2.170, r3 = 2.290, r4 = 4.290,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  80
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.330, r2 = 2.330, r3 = 2.500, r4 = 4.500,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  81
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.130, r2 = 2.130, r3 = 2.230, r4 = 4.230,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  82
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 1.250, r2 = 3.250, r3 = 4.510, r4 = 6.510,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  83
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.270, r2 = 3.270, r3 = 3.430, r4 = 5.430,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  84
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.590, r2 = 3.590, r3 = 4.110, r4 = 6.110,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  85
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 0.920, r2 = 2.920, r3 = 3.000, r4 = 5.000,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  86
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.590, r2 = 2.590, r3 = 2.660, r4 = 4.660,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  87
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.830, r2 = 2.830, r3 = 2.940, r4 = 4.940,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  88
 &rst  iat = 11, 10, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.380, r2 = 3.380, r3 = 3.600, r4 = 5.600,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  89
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.210, r2 = 3.210, r3 = 3.360, r4 = 5.360,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  90
 &rst  iat = 11,  9, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.520, r2 = 3.520, r3 = 3.890, r4 = 5.890,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  91
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.950, r2 = 3.950, r3 = 4.740, r4 = 6.740,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  92
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.800, r2 = 3.800, r3 = 4.320, r4 = 6.320,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  93
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 0.540, r2 = 2.540, r3 = 2.660, r4 = 4.660,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  94
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 1.030, r2 = 3.030, r3 = 3.130, r4 = 5.130,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  95
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.570, r2 = 3.570, r3 = 4.290, r4 = 6.290,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  96
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 1.030, r2 = 3.030, r3 = 3.360, r4 = 5.360,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  97
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.200, r2 = 3.200, r3 = 3.320, r4 = 5.320,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  98
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.270, r2 = 3.270, r3 = 3.470, r4 = 5.470,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number  99
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 0.600, r2 = 2.600, r3 = 2.770, r4 = 4.770,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 100
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.540, r2 = 2.540, r3 = 2.690, r4 = 4.690,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 101
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 1.320, r2 = 3.320, r3 = 3.590, r4 = 5.590,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 102
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 1.560, r2 = 3.560, r3 = 3.860, r4 = 5.860,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 103
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.620, r2 = 3.620, r3 = 4.440, r4 = 6.440,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 104
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.320, r2 = 3.320, r3 = 3.500, r4 = 5.500,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 105
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 1.650, r2 = 3.650, r3 = 4.370, r4 = 6.370,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 106
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
       r1 = 1.130, r2 = 3.130, r3 = 3.560, r4 = 5.560,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 107
 &rst  iat = 14, 13, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.410, r2 = 3.410, r3 = 3.690, r4 = 5.690,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 108
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.270, r2 = 3.270, r3 = 3.430, r4 = 5.430,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 109
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.110, r2 = 4.110, r3 = 5.010, r4 = 7.010,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 110
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.480, r2 = 3.480, r3 = 3.910, r4 = 5.910,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 111
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.540, r2 = 2.540, r3 = 2.590, r4 = 4.590,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 112
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H2''1',atnam(2)='H2',
       r1 = 2.090, r2 = 4.090, r3 = 5.340, r4 = 7.340,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 113
 &rst  iat = 15, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 1.150, r2 = 3.150, r3 = 3.260, r4 = 5.260,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 114
 &rst  iat = 15, 14, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 2.780, r2 = 4.780, r3 = 6.240, r4 = 8.240,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 115
 &rst  iat = 15, 14, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 0.970, r2 = 2.970, r3 = 3.200, r4 = 5.200,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 116
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.160, r2 = 3.160, r3 = 3.400, r4 = 5.400,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 117
 &rst  iat = 15, 14, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 1.420, r2 = 3.420, r3 = 3.880, r4 = 5.880,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 118
 &rst  iat = 15, 14, iresid = 1, atnam(1)='H5',atnam(2)='H3''',
       r1 = 1.540, r2 = 3.540, r3 = 4.010, r4 = 6.010,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 119
 &rst  iat = 15, 14, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
       r1 = 1.570, r2 = 3.570, r3 = 4.310, r4 = 6.310,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 120
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.650, r2 = 3.650, r3 = 4.130, r4 = 6.130,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 121
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.690, r2 = 3.690, r3 = 4.720, r4 = 6.720,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 122
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.560, r2 = 2.560, r3 = 2.600, r4 = 4.600,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 123
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.340, r2 = 3.340, r3 = 3.950, r4 = 5.950,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 124
 &rst  iat = 16, 15, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 2.220, r2 = 4.220, r3 = 5.740, r4 = 7.740,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 125
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.370, r2 = 3.370, r3 = 3.760, r4 = 5.760,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 126
 &rst  iat = 16, 15, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.800, r2 = 3.800, r3 = 4.670, r4 = 6.670,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 127
 &rst  iat = 16, 15, iresid = 1, atnam(1)='H5',atnam(2)='H5',
       r1 = 1.750, r2 = 3.750, r3 = 4.040, r4 = 6.040,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 128
 &rst  iat = 16, 15, iresid = 1, atnam(1)='H5',atnam(2)='H3''',
       r1 = 1.300, r2 = 3.300, r3 = 3.670, r4 = 5.670,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 129
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.170, r2 = 3.170, r3 = 3.350, r4 = 5.350,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 130
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 0.280, r2 = 2.280, r3 = 2.320, r4 = 4.320,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 131
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 2.400, r2 = 4.400, r3 = 5.730, r4 = 7.730,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 132
 &rst  iat = 17, 16, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.920, r2 = 3.920, r3 = 5.150, r4 = 7.150,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 133
 &rst  iat = 17, 16, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 0.580, r2 = 2.580, r3 = 2.690, r4 = 4.690,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 134
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.190, r2 = 3.190, r3 = 3.340, r4 = 5.340,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 135
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 1.610, r2 = 3.610, r3 = 4.280, r4 = 6.280,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 136
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 0.430, r2 = 2.430, r3 = 2.490, r4 = 4.490,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 137
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 1.770, r2 = 3.770, r3 = 4.160, r4 = 6.160,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 138
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 2.180, r2 = 4.180, r3 = 5.210, r4 = 7.210,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 139
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 1.170, r2 = 3.170, r3 = 3.500, r4 = 5.500,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 140
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.560, r2 = 3.560, r3 = 4.070, r4 = 6.070,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 141
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 1.480, r2 = 3.480, r3 = 3.930, r4 = 5.930,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 142
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H5',atnam(2)='H3''',
       r1 = 1.750, r2 = 3.750, r3 = 4.490, r4 = 6.490,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 143
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 0.450, r2 = 2.450, r3 = 2.620, r4 = 4.620,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 144
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.100, r2 = 3.100, r3 = 3.210, r4 = 5.210,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 145
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 0.470, r2 = 2.470, r3 = 2.580, r4 = 4.580,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 146
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.750, r2 = 3.750, r3 = 5.080, r4 = 7.080,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 147
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.840, r2 = 2.840, r3 = 2.890, r4 = 4.890,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 148
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.900, r2 = 2.900, r3 = 3.090, r4 = 5.090,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 149
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.300, r2 = 3.300, r3 = 3.510, r4 = 5.510,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 150
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 2.080, r2 = 4.080, r3 = 5.190, r4 = 7.190,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 151
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.880, r2 = 2.880, r3 = 2.960, r4 = 4.960,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 152
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.670, r2 = 2.670, r3 = 2.770, r4 = 4.770,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 153
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.890, r2 = 2.890, r3 = 3.030, r4 = 5.030,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 154
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.590, r2 = 3.590, r3 = 4.010, r4 = 6.010,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 155
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.150, r2 = 3.150, r3 = 3.470, r4 = 5.470,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 156
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.710, r2 = 3.710, r3 = 4.230, r4 = 6.230,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 157
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H4''',atnam(2)='H6',
       r1 = 1.660, r2 = 3.660, r3 = 4.830, r4 = 6.830,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 158
 &rst  iat = 104, -1 ,
       igr2 = 146, 147, 148,
       r1 = 2.700, r2 = 4.700, r3 = 6.070, r4 = 8.070,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 159
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 0.570, r2 = 2.570, r3 = 2.720, r4 = 4.720,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 160
 &rst  iat = 127, -1 ,
       igr2 = 146, 147, 148,
       r1 = 1.930, r2 = 3.930, r3 = 5.190, r4 = 7.190,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 161
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 1.650, r2 = 3.650, r3 = 4.200, r4 = 6.200,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 162
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.590, r2 = 3.590, r3 = 3.890, r4 = 5.890,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 163
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.850, r2 = 2.850, r3 = 2.930, r4 = 4.930,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 164
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H1''',atnam(2)='H5',
       r1 = 2.340, r2 = 4.340, r3 = 5.680, r4 = 7.680,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 165
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 0.850, r2 = 2.850, r3 = 3.100, r4 = 5.100,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 166
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.680, r2 = 2.680, r3 = 2.780, r4 = 4.780,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 167
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H4''',atnam(2)='H6',
       r1 = 1.400, r2 = 3.400, r3 = 3.740, r4 = 5.740,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 168
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.880, r2 = 2.880, r3 = 2.980, r4 = 4.980,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 169
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 2.360, r2 = 4.360, r3 = 5.400, r4 = 7.400,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 170
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2',
       r1 = 0.930, r2 = 2.930, r3 = 3.240, r4 = 5.240,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 171
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.240, r2 = 3.240, r3 = 3.390, r4 = 5.390,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 172
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.710, r2 = 3.710, r3 = 4.100, r4 = 6.100,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 173
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.140, r2 = 3.140, r3 = 3.260, r4 = 5.260,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 174
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.000, r2 = 3.000, r3 = 3.180, r4 = 5.180,
       rk2 =30.000, rk3 =30.000, /   
#====#MAY CONTAIN 5'1/5'2 in peak, adjusted to semiqual r3 was 3.01->4.0========
# distance constraint number 175
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 0.900, r2 = 2.900, r3 = 4.00, r4 = 5.00,
       rk2 =30.000, rk3 =30.000, /   
#===============================================================================
# distance constraint number 176
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.510, r2 = 2.510, r3 = 2.590, r4 = 4.590,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 177
 &rst  iat = 11, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.300, r2 = 2.300, r3 = 2.370, r4 = 4.370,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 178
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.170, r2 = 3.170, r3 = 3.360, r4 = 5.360,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 179
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.680, r2 = 3.680, r3 = 4.600, r4 = 6.600,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 180
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 1.490, r2 = 3.490, r3 = 3.830, r4 = 5.830,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 181
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.200, r2 = 3.200, r3 = 3.400, r4 = 5.400,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 182
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.280, r2 = 3.280, r3 = 3.450, r4 = 5.450,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 183
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.500, r2 = 3.500, r3 = 3.750, r4 = 5.750,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 184
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.170, r2 = 3.170, r3 = 3.320, r4 = 5.320,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 185
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.370, r2 = 3.370, r3 = 4.120, r4 = 6.120,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 186
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.640, r2 = 3.640, r3 = 4.020, r4 = 6.020,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 187
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.650, r2 = 2.650, r3 = 4.130, r4 = 6.130,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 188
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.710, r2 = 3.710, r3 = 4.630, r4 = 6.630,
       rk2 =30.000, rk3 =30.000, /   
# distance constraint number 189
 &rst  iat = 17, 18, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.130, r2 = 3.130, r3 = 3.670, r4 = 5.670,
       rk2 =30.000, rk3 =30.000, /   

#==============================================================================
#semi Qual rsts 7/22/09 150ms

# distance constraint number   1
 &rst  iat =  18,  1, iresid = 1, atnam(1)='H1''',atnam(2)='H2',
       r1 = 2.00, r2 = 3.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /   

# distance constraint number   2
 &rst  iat =  11,  11, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 1.50, r2 = 2.00, r3 = 4.00, r4 = 4.50,
       rk2 =30.000, rk3 =30.000, /   

# distance constraint number   3
 &rst  iat =  12,  11, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 2.00, r2 = 2.50, r3 = 4.50, r4 = 5.50,
       rk2 =30.000, rk3 =30.000, /   

# distance constraint number   4
 &rst  iat =  8,  9, iresid = 1, atnam(1)='H2''2',atnam(2)='H5',
       r1 = 2.50, r2 = 3.00, r3 = 5.00, r4 = 5.50,
       rk2 =30.000, rk3 =30.000, /   

# distance constraint number   5
 &rst  iat =  8,  9, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 3.00, r2 = 3.50, r3 = 5.50, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /   

#Borano rst BH3-T5H3'
# distance constraint number 6 
 &rst  iat = -1 ,  156,
       igr1 =  194,  195,  196,
       r1 = 3.00, r2 = 4.00, r3 = 6.00, r4 = 7.00,
       rk2 =30.000, rk3 =30.000, /   
#===============================================================================
# G-C base pairs: 3-16,4-15,6-13,12-7,10-9:

 &rst  iat =  3,  16, iresid = 1, atnam(1)='O6',atnam(2)='N4',
       r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  3,  16, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  3,  16, iresid = 1, atnam(1)='N2',atnam(2)='O2',
       r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46,
       rk2 =25.00, rk3 =25.00, /

 &rst  iat =  4,  15, iresid = 1, atnam(1)='O6',atnam(2)='N4',
       r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  4,  15, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  4,  15, iresid = 1, atnam(1)='N2',atnam(2)='O2',
       r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46,
       rk2 =25.00, rk3 =25.00, /

 &rst  iat =  6,  13, iresid = 1, atnam(1)='O6',atnam(2)='N4',
       r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  6,  13, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  6,  13, iresid = 1, atnam(1)='N2',atnam(2)='O2',
       r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46,
       rk2 =25.00, rk3 =25.00, /

 &rst  iat =  12,  7, iresid = 1, atnam(1)='O6',atnam(2)='N4',
       r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  12,  7, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  12,  7, iresid = 1, atnam(1)='N2',atnam(2)='O2',
       r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46,
       rk2 =25.00, rk3 =25.00, /

 &rst  iat =  10,  9, iresid = 1, atnam(1)='O6',atnam(2)='N4',
       r1 = 0, r2 = 2.81, r3 = 3.01, r4 = 3.51,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  10,  9, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /
 &rst  iat =  10,  9, iresid = 1, atnam(1)='N2',atnam(2)='O2',
       r1 = 0, r2 = 2.76, r3 = 2.96, r4 = 3.46,
       rk2 =25.00, rk3 =25.00, /

# A-T/U base pairs: 1-18,17-2,11-8:

 &rst  iat =  1,  18, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.72, r3 = 2.92, r4 = 3.42,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat =  1,  18, iresid = 1, atnam(1)='N6',atnam(2)='O4',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat = 17,  2, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.72, r3 = 2.92, r4 = 3.42,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat = 17,  2, iresid = 1, atnam(1)='N6',atnam(2)='O4',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat = 11,  8, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.72, r3 = 2.92, r4 = 3.42,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat = 11,  8, iresid = 1, atnam(1)='N6',atnam(2)='O4',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat =  14,  5, iresid = 1, atnam(1)='N1',atnam(2)='N3',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /   

 &rst  iat = 14,  5, iresid = 1, atnam(1)='N6',atnam(2)='O4',
       r1 = 0, r2 = 2.85, r3 = 3.05, r4 = 3.55,
       rk2 =25.00, rk3 =25.00, /   
#========================================================================
#BPS IMINO RSTS (USING A1 T2 G3 C7 T8 C9 ON ENDS) 
  
# distance constraint number   2
 &rst  iat =  8,  12, iresid = 1, atnam(1)='H3',atnam(2)='H1',
       r1 = 1.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, / 
# distance constraint number   6
 &rst  iat =  12,  7, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, / 
# distance constraint number   7
 &rst  iat =  12,  7, iresid = 1, atnam(1)='H1',atnam(2)='H42',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   12
 &rst  iat =  3,  16, iresid = 1, atnam(1)='H1',atnam(2)='H41',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, / 
# distance constraint number   13
 &rst  iat =  3,  16, iresid = 1, atnam(1)='H1',atnam(2)='H42',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    
# distance constraint number   14
 &rst  iat =  8,  11, iresid = 1, atnam(1)='H3',atnam(2)='H2',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, / 
# distance constraint number   19
 &rst  iat =  3,  17, iresid = 1, atnam(1)='H1',atnam(2)='H2',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    
#==============================================================
# IMINO -> H1' LONG RANGE SOME MAYBE NOISE - set R3 = 5.5A 

# distance constraint number   20
 &rst  iat =  3,  17, iresid = 1, atnam(1)='H1',atnam(2)='H1''',
       r1 = 0.50, r2 = 2.00, r3 = 5.50, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, / 
#===============================================================
# distance constraint number   24
 &rst  iat =  12,  13, iresid = 1, atnam(1)='H1',atnam(2)='H1''',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, / 
# distance constraint number   27
 &rst  iat =  3,  16, iresid = 1, atnam(1)='H1',atnam(2)='H5',
       r1 = 0.50, r2 = 2.00, r3 = 5.00, r4 = 6.00,
       rk2 =30.000, rk3 =30.000, /    

#BPR epsilon calc CTNOESY 

# torsion angle constraint number   t gamma
 &rst  iat =  1,  1,  1,  1, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#============================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  1,  1,  1,  2, iresid = 1,
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 178.0, r2 = 188.0, r3 = 198.0, r4 = 208.0,
       rk2 = 200.0001, rk3 = 200.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  1,  1,  2,  2, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  1,  2,  2,  2, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  2,  2,  2,  2, iresid = 1,
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  2,  2,  2,  2, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#=================================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  2,  2,  2,  3, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 174.0, r2 = 184.0, r3 = 194.0, r4 = 204.0,
       rk2 = 150.0001, rk3 = 150.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  2,  2,  3,  3, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  2,  3,  3,  3, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  3,  3,  3,  3, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  3,  3,  3,  3, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#==============================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  3,  3,  3,  4, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 168.0, r2 = 178.0, r3 = 188.0, r4 = 198.0,
       rk2 = 75.0001, rk3 = 75.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  3,  3,  4,  4, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  3,  4,  4,  4, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  4,  4,  4,  4, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  4,  4,  4,  4, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#===========================================================================
# torsion angle constraint number   2 zeta
 &rst  iat =  4,  4,  5,  5, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  4,  5,  5,  5, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  5,  5,  5,  5, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  5,  5,  5,  5, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#============================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  5,  5,  5,  6, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 158.0, r2 = 168.0, r3 = 178.0, r4 = 188.0
       rk2 = 200.0001, rk3 = 200.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  5,  5,  6,  6, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  5,  6,  6,  6, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  6,  6,  6,  6, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  6,  6,  6,  6, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#===========================================================================

# torsion angle constraint number   1 epsilon
 &rst  iat =  6,  6,  6,  7, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 180.0, r2 = 190.0, r3 = 200.0, r4 = 210.0,
       rk2 = 150.0001, rk3 = 150.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  6,  6,  7,  7, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  6,  7,  7,  7, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  7,  7,  7,  7, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  7,  7,  7,  7, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#===========================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  7,  7,  7,  8, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 178.0, r2 = 188.0, r3 = 198, r4 = 208.0,
       rk2 = 200.0001, rk3 = 200.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  7,  7,  8,  8, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  7,  8,  8,  8, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  8,  8,  8,  8, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  8,  8,  8,  8, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#=========================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  8,  8,  8,  9, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 174.0, r2 = 184.0, r3 = 194.0, r4 = 204.0,
       rk2 = 200.0001, rk3 = 200.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  8,  8,  9,  9, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  8,  9,  9,  9, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  9,  9,  9,  9, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  9,  9,  9,  9, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /

#2nd Strand ============================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  10,  10,  10,  11, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 189.1, r2 = 199.1, r3 = 219.1, r4 = 229.1,
       rk2 = 50.0001, rk3 = 50.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  10,  10,  11,  11, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  10,  11,  11,  11, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  11,  11,  11,  11, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number   5 gamma
 &rst  iat =  11,  11,  11,  11, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#========================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  11,  11,  11,  12, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 189.1, r2 = 199.1, r3 = 219.1, r4 = 229.1,
       rk2 = 50.0001, rk3 = 50.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  11,  11,  12,  12, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  11, 12,  12,  12, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  12,  12,  12,  12, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat = 12, 12,  12,  12, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#=============================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  12,  12,  12,  13, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 189.1, r2 = 199.1, r3 = 219.1, r4 = 229.1,
       rk2 = 50.0001, rk3 = 50.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  12,  12,  13,  13, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  12,  13,  13,  13, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat = 13,  13,  13,  13, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  13,  13,  13,  13, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /

#==================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  13,  13,  13,  14, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 189.1, r2 = 199.1, r3 = 209.1, r4 = 219.1,
       rk2 = 50.0001, rk3 = 50.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  13,  13,  14,  14, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  13,  14,  14,  14, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  14,  14,  14,  14, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  14,  14,  14,  14, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#=========================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  14,  14,  14,  15, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 193.0, r2 = 203.0, r3 = 213.0, r4 = 223.0,
       rk2 = 150.0001, rk3 = 150.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  14,  14,  15,  15, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat =  14,  15,  15,  15, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat =  15,  15,  15,  15, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat =  15,  15,  15,  15, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#========================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  15,  15,  15,  16, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 189.1, r2 = 199.1, r3 = 219.1, r4 = 229.1,
       rk2 = 50.0001, rk3 = 50.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  15, 15, 16, 16, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat = 15, 16, 16, 16, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat = 16, 16, 16, 16, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat = 16, 16, 16, 16, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#=========================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  16,  16,  16,  17, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 188.0, r2 = 198.0, r3 = 208.0, r4 = 218.0,
       rk2 = 75.0001, rk3 = 75.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  16, 16, 17, 17, iresid = 1, 
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat = 16, 17, 17, 17, iresid = 1, 
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat = 17, 17, 17, 17, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat = 17, 17, 17, 17, iresid = 1, 
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#========================================================================
# torsion angle constraint number   1 epsilon
 &rst  iat =  17,  17,  17,  18, iresid = 1, 
       atnam(1)='C4'' ',atnam(2)='C3'' ',atnam(3)='O3'' ',atnam(4)='P ',
       r1 = 192.0, r2 = 202.0, r3 = 212.0, r4 = 222.0,
       rk2 = 150.0001, rk3 = 150.0001, /
# torsion angle constraint number   2 zeta
 &rst  iat =  17, 17, 18, 18, iresid = 1,
       atnam(1)='C3'' ',atnam(2)='O3'' ',atnam(3)='P ',atnam(4)='O5'' ',
       r1 =  140.2, r2 =  150.2, r3 =  315.2, r4 = 325.2,
       rk2 = 50.0002, rk3 = 50.0002, /
# torsion angle constraint number   3 alpha
 &rst  iat = 17, 18, 18, 18, iresid = 1,
       atnam(1)='O3'' ',atnam(2)='P ',atnam(3)='O5'' ',atnam(4)='C5'' ',
       r1 = 260.3, r2 = 270.3, r3 = 330.3, r4 = 340.3,
       rk2 = 50.0003, rk3 = 50.0003, /
# torsion angle constraint number    4 beta
 &rst  iat = 18, 18, 18, 18, iresid = 1, 
       atnam(1)='P ',atnam(2)='O5'' ',atnam(3)='C5'' ',atnam(4)='C4'' ',
       r1 =  125.4, r2 =  135.4, r3 =  215.4, r4 =  225.4,
       rk2 = 50.0004, rk3 = 50.0004, /
# torsion angle constraint number    5 gamma
 &rst  iat = 18, 18, 18, 18, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#==============================================================================

# 578 atoms read from pdb file BPR.pdb.
# 1 ADE NU0:  (1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2') -47.6 -17.6
 &rst     iat =     6,     8,     9,    27,
   r1 = -48.6, r2 = -47.6, r3 = -17.6, r4 = -16.6,
   rk2 =   50.0, rk3 =   50.0,    /   

# 1 ADE NU1:  (1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3')  18.8  48.8
 &rst     iat =     8,     9,    27,    25,
   r1 =  17.8, r2 =  18.8, r3 =  48.8, r4 =  49.8,
 /   

# 1 ADE NU2:  (1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4') -36.6  -6.6
 &rst     iat =     9,    27,    25,     6,
   r1 = -37.6, r2 = -36.6, r3 =  -6.6, r4 =  -5.6,
 /   

# 1 ADE NU3:  (1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4') -15.0  18.1
 &rst     iat =    27,    25,     6,     8,
   r1 = -16.0, r2 = -15.0, r3 =  18.1, r4 =  19.1,
 /   

# 1 ADE NU4:  (1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1')   4.2  34.2
 &rst     iat =    25,     6,     8,     9,
   r1 =   3.2, r2 =   4.2, r3 =  34.2, r4 =  35.2,
 /   

# 2 THY NU0:  (2 DT C4')-(2 DT O4')-(2 DT C1')-(2 DT C2') -42.6 -12.6
 &rst     iat =    38,    40,    41,    59,
   r1 = -43.6, r2 = -42.6, r3 = -12.6, r4 = -11.6,
 /   

# 2 THY NU1:  (2 DT O4')-(2 DT C1')-(2 DT C2')-(2 DT C3')  21.6  51.6
 &rst     iat =    40,    41,    59,    57,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
 /   

# 2 THY NU2:  (2 DT C1')-(2 DT C2')-(2 DT C3')-(2 DT C4') -44.4 -14.4
 &rst     iat =    41,    59,    57,    38,
   r1 = -45.4, r2 = -44.4, r3 = -14.4, r4 = -13.4,
 /   

# 2 THY NU3:  (2 DT C2')-(2 DT C3')-(2 DT C4')-(2 DT O4')  -2.6  27.4
 &rst     iat =    59,    57,    38,    40,
   r1 =  -3.6, r2 =  -2.6, r3 =  27.4, r4 =  28.4,
 /   

# 2 THY NU4:  (2 DT C3')-(2 DT C4')-(2 DT O4')-(2 DT C1')  -5.5  24.5
 &rst     iat =    57,    38,    40,    41,
   r1 =  -6.5, r2 =  -5.5, r3 =  24.5, r4 =  25.5,
 /   

# 4 GUA NU0:  (4 DG C4')-(4 DG O4')-(4 DG C1')-(4 DG C2') -43.3 -13.3
 &rst     iat =   103,   105,   106,   125,
   r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3,
 /   

# 4 GUA NU1:  (4 DG O4')-(4 DG C1')-(4 DG C2')-(4 DG C3')  19.2  49.2
 &rst     iat =   105,   106,   125,   123,
   r1 =  18.2, r2 =  19.2, r3 =  49.2, r4 =  50.2,
 /   

# 4 GUA NU2:  (4 DG C1')-(4 DG C2')-(4 DG C3')-(4 DG C4') -38.9  -8.9
 &rst     iat =   106,   125,   123,   103,
   r1 = -39.9, r2 = -38.9, r3 =  -8.9, r4 =  -7.9,
 /   

# 4 GUA NU3:  (4 DG C2')-(4 DG C3')-(4 DG C4')-(4 DG O4') -13.8  26.7
 &rst     iat =   125,   123,   103,   105,
   r1 = -14.8, r2 = -13.8, r3 =  26.7, r4 =  27.7,
 /   

# 4 GUA NU4:  (4 DG C3')-(4 DG C4')-(4 DG O4')-(4 DG C1')  -5.3  32.3
 &rst     iat =   123,   103,   105,   106,
   r1 =  -6.3, r2 =  -5.3, r3 =  32.3, r4 =  33.3,
 /   

# 5 THY NU0:  (5 BPR C4')-(5 BPR O4')-(5 BPR C1')-(5 BPR C2') -51.4 -21.4
 &rst     iat =   136,   138,   139,   157,
   r1 = -52.4, r2 = -51.4, r3 = -21.4, r4 = -20.4,
 /   

# 5 THY NU1:  (5 BPR O4')-(5 BPR C1')-(5 BPR C2')-(5 BPR C3')  15.3  45.3
 &rst     iat =   138,   139,   157,   155,
   r1 =  14.3, r2 =  15.3, r3 =  45.3, r4 =  46.3,
 /   

# 5 THY NU2:  (5 BPR C1')-(5 BPR C2')-(5 BPR C3')-(5 BPR C4') -28.6   1.4
 &rst     iat =   139,   157,   155,   136,
   r1 = -29.6, r2 = -28.6, r3 =   1.4, r4 =   2.4,
 /   

# 5 THY NU3:  (5 BPR C2')-(5 BPR C3')-(5 BPR C4')-(5 BPR O4') -23.3   6.7
 &rst     iat =   157,   155,   136,   138,
   r1 = -24.3, r2 = -23.3, r3 =   6.7, r4 =   7.7,
 /   

# 5 THY NU4:  (5 BPR C3')-(5 BPR C4')-(5 BPR O4')-(5 BPR C1')  12.0  42.0
 &rst     iat =   155,   136,   138,   139,
   r1 =  11.0, r2 =  12.0, r3 =  42.0, r4 =  43.0,
 /   

# 7 CYT NU0:  (7 DC C4')-(7 DC O4')-(7 DC C1')-(7 DC C2') -20.7   9.3
 &rst     iat =   204,   206,   207,   223,
   r1 = -21.7, r2 = -20.7, r3 =   9.3, r4 =  10.3,
 /   

# 7 CYT NU1:  (7 DC O4')-(7 DC C1')-(7 DC C2')-(7 DC C3') -31.6  -1.6
 &rst     iat =   206,   207,   223,   221,
   r1 = -32.6, r2 = -31.6, r3 =  -1.6, r4 =  -0.6,
 /   

# 7 CYT NU2:  (7 DC C1')-(7 DC C2')-(7 DC C3')-(7 DC C4')  17.6  47.6
 &rst     iat =   207,   223,   221,   204,
   r1 =  16.6, r2 =  17.6, r3 =  47.6, r4 =  48.6,
 /   

# 7 CYT NU3:  (7 DC C2')-(7 DC C3')-(7 DC C4')-(7 DC O4') -51.4 -21.4
 &rst     iat =   223,   221,   204,   206,
   r1 = -52.4, r2 = -51.4, r3 = -21.4, r4 = -20.4,
 /   

# 7 CYT NU4:  (7 DC C3')-(7 DC C4')-(7 DC O4')-(7 DC C1')  10.9  40.9
 &rst     iat =   221,   204,   206,   207,
   r1 =   9.9, r2 =  10.9, r3 =  40.9, r4 =  41.9,
 /   

# 8 THY NU0:  (8 DT C4')-(8 DT O4')-(8 DT C1')-(8 DT C2') -47.2 -17.2
 &rst     iat =   234,   236,   237,   255,
   r1 = -48.2, r2 = -47.2, r3 = -17.2, r4 = -16.2,
 /   

# 8 THY NU1:  (8 DT O4')-(8 DT C1')-(8 DT C2')-(8 DT C3')  21.1  51.1
 &rst     iat =   236,   237,   255,   253,
   r1 =  20.1, r2 =  21.1, r3 =  51.1, r4 =  52.1,
 /   

# 8 THY NU2:  (8 DT C1')-(8 DT C2')-(8 DT C3')-(8 DT C4') -40.6 -10.6
 &rst     iat =   237,   255,   253,   234,
   r1 = -41.6, r2 = -40.6, r3 = -10.6, r4 =  -9.6,
 /   

# 8 THY NU3:  (8 DT C2')-(8 DT C3')-(8 DT C4')-(8 DT O4')  -9.3  20.7
 &rst     iat =   255,   253,   234,   236,
   r1 = -10.3, r2 =  -9.3, r3 =  20.7, r4 =  21.7,
 /   

# 8 THY NU4:  (8 DT C3')-(8 DT C4')-(8 DT O4')-(8 DT C1')   1.5  31.5
 &rst     iat =   253,   234,   236,   237,
   r1 =   0.5, r2 =   1.5, r3 =  31.5, r4 =  32.5,
 /   

# 9 CYT NU0:  (9 DC3 C4')-(9 DC3 O4')-(9 DC3 C1')-(9 DC3 C2') -47.9 -17.9
 &rst     iat =   266,   268,   269,   285,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 /   

# 9 CYT NU1:  (9 DC3 O4')-(9 DC3 C1')-(9 DC3 C2')-(9 DC3 C3')  15.6  45.6
 &rst     iat =   268,   269,   285,   283,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
 /   

# 9 CYT NU2:  (9 DC3 C1')-(9 DC3 C2')-(9 DC3 C3')-(9 DC3 C4') -34.3   0.0
 &rst     iat =   269,   285,   283,   266,
   r1 = -35.3, r2 = -34.3, r3 =   0.0, r4 =   1.0,
 /   

# 9 CYT NU3:  (9 DC3 C2')-(9 DC3 C3')-(9 DC3 C4')-(9 DC3 O4') -22.6  17.5
 &rst     iat =   285,   283,   266,   268,
   r1 = -23.6, r2 = -22.6, r3 =  17.5, r4 =  18.5,
 /   

# 9 CYT NU4:  (9 DC3 C3')-(9 DC3 C4')-(9 DC3 O4')-(9 DC3 C1')   6.1  36.6
 &rst     iat =   283,   266,   268,   269,
   r1 =   5.1, r2 =   6.1, r3 =  36.6, r4 =  37.6,
 /   
#============================================================================
# G-C Base pair angle restraints
#3-16, 4-15, 6-13, 12-7, 10-9 
 
 &rst  iat =  3, 16, 16, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  3,  3, 16, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  3,  3, 16, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =  4, 15, 15, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  4, 4, 15, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  4, 4, 15, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =  6,  13, 13, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  6, 6, 13, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  6, 6, 13, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =  12,  7, 7, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  12, 12, 7, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  12, 12, 7, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =  10, 9, 9, iresid = 1, atnam(1)='O6',atnam(2)='H41',
       atnam(3)='N4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  10,  10, 9, iresid = 1, atnam(1)='N2',atnam(2)='H21',
       atnam(3)='O2', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  10,  10, 9, iresid = 1, atnam(1)='N1',atnam(2)='H1',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
#================================================================================
#A-T Base Pair angle restraints
#1-18, 17-2, 14-5, 11-8

 &rst  iat =  1,  18, 18, iresid = 1, atnam(1)='N1',atnam(2)='H3',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =  1,  1, 18, iresid = 1, atnam(1)='N6',atnam(2)='H61',
       atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =   17, 2, 2, iresid = 1, atnam(1)='N1',atnam(2)='H3',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =   17,  17, 2, iresid = 1, atnam(1)='N6',atnam(2)='H61',
       atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =   14, 5, 5, iresid = 1, atnam(1)='N1',atnam(2)='H3',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =   14,  14, 5, iresid = 1, atnam(1)='N6',atnam(2)='H61',
       atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /

 &rst  iat =   11, 8, 8, iresid = 1, atnam(1)='N1',atnam(2)='H3',
       atnam(3)='N3', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &rst  iat =   11,  11, 8, iresid = 1, atnam(1)='N6',atnam(2)='H61',
       atnam(3)='O4', r1 = 150, r2 = 170, r3 = 190, r4 = 210,
       rk2 =10.00, rk3 =10.00, /
 &align
   ndip=45, dcut=0.0, freezemol=True, 
   s11=20.006, s22=3.184, s12=17.965, s13=3.181, s23=-0.072,
   id(1)=9,   jd(1)=10,  dobsl(1)= -1.40, dobsu(1)= -1.40, gigj(1)= 7.84665, dij(1)= 1.09, dwt(1)=1.00000,
   id(2)=41,   jd(2)=42,  dobsl(2)= 1.30, dobsu(2)= 1.30, gigj(2)= 7.84665, dij(2)= 1.09, dwt(2)=1.00000,
   id(3)=73,   jd(3)=74,  dobsl(3)= 0.70, dobsu(3)=5.50 , gigj(3)= 7.84665, dij(3)= 1.09, dwt(3)=1.00000,
   id(4)=106,   jd(4)=107,  dobsl(4)= -2.90, dobsu(4)= -2.90, gigj(4)= 7.84665, dij(4)= 1.09, dwt(4)=1.00000,
   id(5)=139,   jd(5)=140,  dobsl(5)= 0.80, dobsu(5)= 0.80, gigj(5)= 7.84665, dij(5)= 1.09, dwt(5)=1.00000,
   id(6)=171,   jd(6)=172,  dobsl(6)= 5.50, dobsu(6)= 5.50, gigj(6)= 7.84665, dij(6)= 1.09, dwt(6)=1.00000,
   id(7)=207,   jd(7)=208,  dobsl(7)= 4.20, dobsu(7)= 4.20, gigj(7)= 7.84665, dij(7)= 1.09, dwt(7)=1.00000,
   id(8)=237,   jd(8)=238,  dobsl(8)= 5.20, dobsu(8)= 5.20, gigj(8)= 7.84665, dij(8)= 1.09, dwt(8)=1.00000,
   id(9)=269,   jd(9)=270,  dobsl(9)= 0.10, dobsu(9)= 0.10, gigj(9)= 7.84665, dij(9)= 1.09, dwt(9)=1.00000,
   id(10)=298,   jd(10)=299,  dobsl(10)= -6.30, dobsu(10)= -6.30, gigj(10)= 7.84665, dij(10)= 1.09, dwt(10)=1.00000,
   id(11)=332,   jd(11)=333,  dobsl(11)= -11.8, dobsu(11)= -11.8, gigj(11)= 7.84665, dij(11)= 1.09, dwt(11)=1.00000,
   id(12)=365,   jd(12)=366,  dobsl(12)= -10.4, dobsu(12)= -10.4, gigj(12)= 7.84665, dij(12)= 1.09, dwt(12)=1.00000,
   id(13)=399,   jd(13)=400,  dobsl(13)= -4.50, dobsu(13)= -4.50, gigj(13)= 7.84665, dij(13)= 1.09, dwt(13)=1.00000,
   id(14)=430,   jd(14)=431,  dobsl(14)= 1.5, dobsu(14)= 1.5, gigj(14)= 7.84665, dij(14)= 1.09, dwt(14)=1.00000,
   id(15)=463,   jd(15)=464,  dobsl(15)= 4.10, dobsu(15)= 4.10, gigj(15)= 7.84665, dij(15)= 1.09, dwt(15)=1.00000,
   id(16)=494,   jd(16)=495,  dobsl(16)= 6.40, dobsu(16)= 6.40, gigj(16)= 7.84665, dij(16)= 1.09, dwt(16)=1.00000,
   id(17)=525,   jd(17)=526,  dobsl(17)= 4.20, dobsu(17)= 4.20, gigj(17)= 7.84665, dij(17)= 1.09, dwt(17)=1.00000,
   id(18)=558,   jd(18)=559,  dobsl(18)= 1.00, dobsu(18)= 1.00, gigj(18)= 7.84665, dij(18)= 1.09, dwt(18)=1.00000,
   id(19)=12,   jd(19)=13,  dobsl(19)= 5.20, dobsu(19)= 5.20, gigj(19)= 7.84665, dij(19)= 1.09, dwt(19)=1.00000,
   id(20)=44,   jd(20)=45,  dobsl(20)= 2.40, dobsu(20)= 2.40, gigj(20)= 7.84665, dij(20)= 1.09, dwt(20)=1.00000,
   id(21)=76,   jd(21)=77,  dobsl(21)= 1.80, dobsu(21)= 1.80, gigj(21)= 7.84665, dij(21)= 1.09, dwt(21)=1.00000,
   id(22)=109,   jd(22)=110,  dobsl(22)= 3.30, dobsu(22)= 3.30, gigj(22)= 7.84665, dij(22)= 1.09, dwt(22)=1.00000,
   id(23)=142,   jd(23)=143,  dobsl(23)= 9.90, dobsu(23)= 9.90, gigj(23)= 7.84665, dij(23)= 1.09, dwt(23)=1.00000,
   id(24)=174,   jd(24)=175,  dobsl(24)= 9.80, dobsu(24)= 9.80, gigj(24)= 7.84665, dij(24)= 1.09, dwt(24)=1.00000,
   id(25)=210,   jd(25)=211,  dobsl(25)= 6.00, dobsu(25)= 6.00, gigj(25)= 7.84665, dij(25)= 1.09, dwt(25)=1.00000,
   id(26)=240,   jd(26)=241,  dobsl(26)= 1.90, dobsu(26)= 1.90, gigj(26)= 7.84665, dij(26)= 1.09, dwt(26)=1.00000,
   id(27)=272,   jd(27)=273,  dobsl(27)= 5.50, dobsu(27)= 5.50, gigj(27)= 7.84665, dij(27)= 1.09, dwt(27)=1.00000,
   id(28)=301,   jd(28)=302,  dobsl(28)= 2.40, dobsu(28)= 2.40, gigj(28)= 7.84665, dij(28)= 1.09, dwt(28)=1.00000,
   id(29)=335,   jd(29)=336,  dobsl(29)= 5.20, dobsu(29)= 5.20, gigj(29)= 7.84665, dij(29)= 1.09, dwt(29)=1.00000,
   id(30)=368,   jd(30)=369,  dobsl(30)= 2.70, dobsu(30)= 2.70, gigj(30)= 7.84665, dij(30)= 1.09, dwt(30)=1.00000,
   id(31)=402,   jd(31)=403,  dobsl(31)= 9.50, dobsu(31)= 9.50, gigj(31)= 7.84665, dij(31)= 1.09, dwt(31)=1.00000,
   id(32)=433,   jd(32)=434,  dobsl(32)= 6.50, dobsu(32)= 6.50, gigj(32)= 7.84665, dij(32)= 1.09, dwt(32)=1.00000,
   id(33)=466,   jd(33)=467,  dobsl(33)= 5.90, dobsu(33)= 5.90, gigj(33)= 7.84665, dij(33)= 1.09, dwt(33)=1.00000,
   id(34)=497,   jd(34)=498,  dobsl(34)= 3.80, dobsu(34)= 3.80, gigj(34)= 7.84665, dij(34)= 1.09, dwt(34)=1.00000,
   id(35)=528,   jd(35)=529,  dobsl(35)= 3.10, dobsu(35)= 3.10, gigj(35)= 7.84665, dij(35)= 1.09, dwt(35)=1.00000,
   id(36)=561,   jd(36)=562,  dobsl(36)= 3.40, dobsu(36)= 3.40, gigj(36)= 7.84665, dij(36)= 1.09, dwt(36)=1.00000,
   id(37)=21,   jd(37)=22,   dobsl(37)= 6.20, dobsu(37)= 6.20, gigj(37)= 7.84665, dij(37)= 1.09, dwt(37)=1.00000,
   id(38)=344,   jd(38)=345,  dobsl(38)= 1.40, dobsu(38)= 1.40, gigj(38)= 7.84665, dij(38)= 1.09, dwt(38)=1.00000,
   id(39)=442,   jd(39)=443,  dobsl(39)= 7.50, dobsu(39)= 7.50, gigj(39)= 7.84665, dij(39)= 1.09, dwt(39)=1.00000,
   id(40)=537,   jd(40)=538,  dobsl(40)= 3.80, dobsu(40)= 3.80, gigj(40)= 7.84665, dij(40)= 1.09, dwt(40)=1.00000,
   id(41)=212,   jd(41)=213,  dobsl(41)= 6.80, dobsu(41)= 8.80, gigj(41)= 7.84665, dij(41)= 1.09, dwt(41)=1.00000,
   id(42)=274,   jd(42)=275,  dobsl(42)= 3.50, dobsu(42)= 5.50, gigj(42)= 7.84665, dij(42)= 1.09, dwt(42)=1.00000,
   id(43)=404,   jd(43)=405,  dobsl(43)= -0.30, dobsu(43)= 1.70, gigj(43)= 7.84665, dij(43)= 1.09, dwt(43)=1.00000,
   id(44)=468,   jd(44)=469,  dobsl(44)= 9.70, dobsu(44)= 11.70, gigj(44)= 7.84665, dij(44)= 1.09, dwt(44)=1.00000,
   id(45)=499,   jd(45)=500,  dobsl(45)= 9.80, dobsu(45)= 11.80, gigj(45)= 7.84665, dij(45)= 1.09, dwt(45)=1.00000,
   
  / 


  Entry H atom name         Submitted Coord H atom name
    1    H5'   DA   1           H5'       DA   1  35.310  17.534  18.729
    2   H5''   DA   1          H5''       DA   1  34.141  16.378  19.368
    3    H4'   DA   1           H4'       DA   1  35.868  16.821  20.997
    4    H3'   DA   1           H3'       DA   1  33.111  17.095  21.540
    5    H2'   DA   1           H2'       DA   1  33.051  19.290  22.216
    6   H2''   DA   1          H2''       DA   1  34.035  18.841  23.689
    7    H1'   DA   1           H1'       DA   1  36.048  19.564  22.812
    8    H8    DA   1           H8        DA   1  34.474  20.490  19.864
    9    H61   DA   1           H61       DA   1  32.724  25.922  22.518
   10    H62   DA   1           H62       DA   1  32.661  25.047  20.990
   11    H2    DA   1           H2        DA   1  34.848  23.500  25.408
   12   HO5'   DA   1          HO5'       DA   1  33.404  18.361  18.150
   13    H5'   DT   2           H5'       DT   2  35.252  17.552  25.643
   14   H5''   DT   2          H5''       DT   2  34.691  16.233  26.683
   15    H4'   DT   2           H4'       DT   2  34.700  18.281  27.964
   16    H3'   DT   2           H3'       DT   2  32.363  16.740  27.601
   17    H2'   DT   2           H2'       DT   2  31.200  18.466  26.504
   18   H2''   DT   2          H2''       DT   2  30.797  19.106  28.096
   19    H1'   DT   2           H1'       DT   2  32.937  20.530  28.045
   20    H3    DT   2           H3        DT   2  31.255  24.194  26.058
   21    H71   DT   2           H71       DT   2  31.341  21.563  22.057
   22    H72   DT   2           H72       DT   2  30.846  19.959  22.644
   23    H73   DT   2           H73       DT   2  29.650  21.272  22.505
   24    H6    DT   2           H6        DT   2  31.722  19.593  24.785
   25    H5'   DG   3           H5'       DG   3  32.567  18.596  32.376
   26   H5''   DG   3          H5''       DG   3  31.439  17.429  33.087
   27    H4'   DG   3           H4'       DG   3  31.118  19.564  34.150
   28    H3'   DG   3           H3'       DG   3  28.963  18.400  32.550
   29    H2'   DG   3           H2'       DG   3  28.122  20.329  31.740
   30   H2''   DG   3          H2''       DG   3  28.049  21.038  33.370
   31    H1'   DG   3           H1'       DG   3  29.959  22.240  33.044
   32    H8    DG   3           H8        DG   3  30.487  20.151  30.106
   33    H1    DG   3           H1        DG   3  28.059  25.953  28.555
   34    H21   DG   3           H21       DG   3  27.754  27.087  30.417
   35    H22   DG   3           H22       DG   3  28.120  26.411  31.995
   36    H5'   DG   4           H5'       DG   4  27.474  21.113  35.853
   37   H5''   DG   4          H5''       DG   4  26.044  20.506  36.700
   38    H4'   DG   4           H4'       DG   4  25.632  22.770  36.058
   39    H3'   DG   4           H3'       DG   4  23.889  20.874  34.736
   40    H2'   DG   4           H2'       DG   4  23.531  22.435  33.064
   41   H2''   DG   4          H2''       DG   4  23.326  23.729  34.266
   42    H1'   DG   4           H1'       DG   4  25.399  24.554  33.601
   43    H8    DG   4           H8        DG   4  25.831  21.062  32.086
   44    H1    DG   4           H1        DG   4  24.575  25.672  27.796
   45    H21   DG   4           H21       DG   4  23.807  27.430  28.908
   46    H22   DG   4           H22       DG   4  23.882  27.464  30.677
   47    H5'   DT   5          H5''       DT   5  22.325  24.557  36.751
   48   H5''   DT   5          H5'        DT   5  20.801  24.282  37.600
   49    H4'   DT   5           H4'       DT   5  20.559  26.196  36.125
   50    H3'   DT   5           H3'       DT   5  19.006  23.687  35.744
   51    H2'   DT   5           H2'       DT   5  19.019  23.806  33.495
   52   H2''   DT   5          H2''       DT   5  18.400  25.459  33.486
   53    H1'   DT   5           H1'       DT   5  20.436  26.314  33.024
   54    H3    DT   5           H3        DT   5  21.474  24.286  29.066
   55    H71   DT   5           H71       DT   5  22.630  20.281  31.526
   56    H72   DT   5           H72       DT   5  21.492  20.357  32.895
   57    H73   DT   5           H73       DT   5  20.922  20.088  31.243
   58    H6    DT   5           H6        DT   5  21.079  22.701  33.620
   59    HN1  BGR   6           HN1      BGR   6  18.757  21.612  25.778
   60    H8   BGR   6           H8       BGR   6  17.324  23.019  31.913
   61   H1BP  BGR   6          1HB       BGR   6  16.068  27.966  36.136
   62   H2BP  BGR   6          2HB       BGR   6  15.750  27.031  37.848
   63   H3BP  BGR   6          3HB       BGR   6  14.471  26.867  36.421
   64    H1'  BGR   6           H1'      BGR   6  16.313  25.589  29.408
   65    H2'  BGR   6           H2'      BGR   6  14.796  23.306  30.511
   66   H2'A  BGR   6          H2"       BGR   6  14.217  24.790  29.704
   67    HN2  BGR   6           H21      BGR   6  17.514  22.883  24.505
   68   HN2A  BGR   6          HN2A      BGR   6  16.659  24.263  25.139
   69    H3'  BGR   6           H3'      BGR   6  14.387  24.151  32.604
   70    H4'  BGR   6           H4'      BGR   6  15.325  26.798  31.681
   71    H5'  BGR   6           H5'      BGR   6  16.636  26.992  33.653
   72   H5'A  BGR   6          H5"       BGR   6  14.932  26.695  34.002
   73    H5'   DC   7           H5'       DC   7  12.053  26.087  29.134
   74   H5''   DC   7          H5''       DC   7  10.378  25.522  29.076
   75    H4'   DC   7           H4'       DC   7  11.526  25.323  26.903
   76    H3'   DC   7           H3'       DC   7  10.538  22.863  28.250
   77    H2'   DC   7           H2'       DC   7  11.847  21.486  26.855
   78   H2''   DC   7          H2''       DC   7  11.623  22.537  25.401
   79    H1'   DC   7           H1'       DC   7  13.603  23.559  25.760
   80    H41   DC   7           H41       DC   7  17.010  18.673  27.729
   81    H42   DC   7           H42       DC   7  16.300  18.708  29.358
   82    H5    DC   7           H5        DC   7  14.645  20.351  29.993
   83    H6    DC   7           H6        DC   7  13.261  22.235  29.111
   84    H5'   DT   8           H5'       DT   8  10.219  23.252  23.796
   85   H5''   DT   8          H5''       DT   8   8.662  22.762  23.121
   86    H4'   DT   8           H4'       DT   8  10.684  21.776  21.936
   87    H3'   DT   8           H3'       DT   8   8.473  20.175  22.997
   88    H2'   DT   8           H2'       DT   8   9.709  18.267  23.013
   89   H2''   DT   8          H2''       DT   8  10.465  18.617  21.474
   90    H1'   DT   8           H1'       DT   8  12.229  19.313  22.212
   91    H3    DT   8           H3        DT   8  14.260  16.659  25.254
   92    H71   DT   8           H71       DT   8  10.449  19.698  27.781
   93    H72   DT   8           H72       DT   8  10.893  18.118  28.488
   94    H73   DT   8           H73       DT   8  12.041  19.413  28.515
   95    H6    DT   8           H6        DT   8  10.446  19.643  25.351
   96    H5'   DC   9           H5'       DC   9  10.234  18.151  19.298
   97   H5''   DC   9          H5''       DC   9   9.018  17.207  18.460
   98    H4'   DC   9           H4'       DC   9  10.925  15.837  19.002
   99    H3'   DC   9           H3'       DC   9   8.293  15.306  20.392
  100   HO3'   DC   9          HO3'       DC   9   8.449  13.379  19.162
  101    H2'   DC   9           H2'       DC   9   9.234  13.959  22.109
  102   H2''   DC   9          H2''       DC   9  10.348  13.121  20.885
  103    H1'   DC   9           H1'       DC   9  12.140  14.498  21.235
  104    H41   DC   9           H41       DC   9  12.120  14.664  27.577
  105    H42   DC   9           H42       DC   9  10.579  15.521  27.625
  106    H5    DC   9           H5        DC   9   9.512  16.306  25.651
  107    H6    DC   9           H6        DC   9   9.680  16.254  23.093
  108    H5'    G  10           H5'        G  10  19.350   8.591  32.437
  109   H5''    G  10          H5''        G  10  20.996   8.836  31.846
  110    H4'    G  10           H4'        G  10  19.600   8.096  30.056
  111    H3'    G  10           H3'        G  10  20.573  10.905  29.859
  112    H2'    G  10           H2'        G  10  19.231  11.392  28.183
  113   HO2'    G  10          HO2'        G  10  20.138   9.688  26.757
  114    H1'    G  10           H1'        G  10  17.304   9.411  28.304
  115    H8     G  10           H8         G  10  17.827  11.867  30.851
  116    H1     G  10           H1         G  10  13.490  13.454  26.342
  117    H21    G  10           H21        G  10  13.897  12.272  24.570
  118    H22    G  10           H22        G  10  15.035  10.935  24.598
  119   HO5'    G  10          HO5'        G  10  19.149  10.707  32.806
  120    H5'    A  11           H5'        A  11  21.494   8.788  25.677
  121   H5''    A  11          H5''        A  11  22.859   9.671  25.015
  122    H4'    A  11           H4'        A  11  20.938   9.510  23.464
  123    H3'    A  11           H3'        A  11  21.484  12.343  24.325
  124    H2'    A  11           H2'        A  11  19.869  12.860  22.486
  125   HO2'    A  11          HO2'        A  11  20.641  10.892  21.218
  126    H1'    A  11           H1'        A  11  18.049  11.191  23.478
  127    H8     A  11           H8         A  11  19.669  11.961  26.471
  128    H61    A  11           H61        A  11  15.350  16.396  27.053
  129    H62    A  11           H62        A  11  16.754  15.747  27.855
  130    H2     A  11           H2         A  11  15.210  14.848  22.979
  131    H5'    G  12           H5'        G  12  21.167  12.541  20.133
  132   H5''    G  12          H5''        G  12  22.253  13.742  19.443
  133    H4'    G  12           H4'        G  12  19.872  14.223  18.962
  134    H3'    G  12           H3'        G  12  21.132  16.232  20.793
  135    H2'    G  12           H2'        G  12  19.260  17.565  20.472
  136   HO2'    G  12          HO2'        G  12  17.779  17.250  18.788
  137    H1'    G  12           H1'        G  12  17.560  15.538  20.849
  138    H8     G  12           H8         G  12  20.432  14.976  22.931
  139    H1     G  12           H1         G  12  16.520  19.410  25.373
  140    H21    G  12           H21        G  12  15.296  20.218  23.791
  141    H22    G  12           H22        G  12  15.175  19.455  22.199
  142    H5'    C  13           H5'        C  13  19.888  18.384  17.567
  143   H5''    C  13          H5''        C  13  20.943  19.712  17.086
  144    H4'    C  13           H4'        C  13  18.742  20.550  17.619
  145    H3'    C  13           H3'        C  13  20.834  21.384  19.602
  146    H2'    C  13           H2'        C  13  19.079  22.662  20.678
  147   HO2'    C  13          HO2'        C  13  18.198  23.022  18.325
  148    H1'    C  13           H1'        C  13  17.243  20.950  20.672
  149    H41    C  13           H41        C  13  20.477  20.403  26.051
  150    H42    C  13           H42        C  13  21.707  19.466  25.189
  151    H5     C  13           H5         C  13  21.619  19.039  22.814
  152    H6     C  13           H6         C  13  20.316  19.185  20.890
  153    H5'    A  14           H5'        A  14  18.457  24.816  18.503
  154   H5''    A  14          H5''        A  14  19.481  26.240  18.358
  155    H4'    A  14           H4'        A  14  17.693  26.493  20.107
  156    H3'    A  14           H3'        A  14  20.605  26.505  20.890
  157    H2'    A  14           H2'        A  14  19.885  27.283  23.057
  158   HO2'    A  14          HO2'        A  14  17.752  27.752  23.547
  159    H1'    A  14           H1'        A  14  18.010  25.411  23.323
  160    H8     A  14           H8         A  14  20.391  23.309  21.736
  161    H61    A  14           H61        A  14  22.382  22.560  27.541
  162    H62    A  14           H62        A  14  22.748  22.083  25.886
  163    H2     A  14           H2         A  14  19.984  26.184  27.440
  164    H5'    C  15           H5'        C  15  19.554  30.368  22.060
  165   H5''    C  15          H5''        C  15  20.860  31.512  21.714
  166    H4'    C  15           H4'        C  15  20.301  31.334  24.099
  167    H3'    C  15           H3'        C  15  23.132  30.406  23.460
  168    H2'    C  15           H2'        C  15  23.364  30.252  25.877
  169   HO2'    C  15          HO2'        C  15  22.020  32.228  26.188
  170    H1'    C  15           H1'        C  15  21.013  28.952  26.250
  171    H41    C  15           H41        C  15  24.891  24.185  25.744
  172    H42    C  15           H42        C  15  24.573  24.051  24.007
  173    H5     C  15           H5         C  15  23.406  25.775  22.808
  174    H6     C  15           H6         C  15  22.079  27.841  23.091
  175    H5'    C  16           H5'        C  16  23.496  33.461  26.392
  176   H5''    C  16          H5''        C  16  24.935  34.425  26.099
  177    H4'    C  16           H4'        C  16  24.919  33.495  28.278
  178    H3'    C  16           H3'        C  16  27.083  32.140  26.638
  179    H2'    C  16           H2'        C  16  27.958  31.396  28.668
  180   HO2'    C  16          HO2'        C  16  26.922  31.842  30.642
  181    H1'    C  16           H1'        C  16  25.577  30.376  29.367
  182    H41    C  16           H41        C  16  27.692  25.507  26.216
  183    H42    C  16           H42        C  16  26.980  26.088  24.716
  184    H5     C  16           H5         C  16  26.124  28.353  24.496
  185    H6     C  16           H6         C  16  25.720  30.449  25.742
  186    H5'    A  17           H5'        A  17  29.052  33.671  29.713
  187   H5''    A  17          H5''        A  17  30.513  34.566  29.246
  188    H4'    A  17           H4'        A  17  31.172  32.776  30.731
  189    H3'    A  17           H3'        A  17  31.839  32.271  27.830
  190    H2'    A  17           H2'        A  17  33.094  30.388  28.547
  191   HO2'    A  17          HO2'        A  17  33.419  29.895  30.740
  192    H1'    A  17           H1'        A  17  31.118  29.456  30.161
  193    H8     A  17           H8         A  17  29.620  31.119  27.269
  194    H61    A  17           H61        A  17  30.404  25.490  24.588
  195    H62    A  17           H62        A  17  29.762  27.100  24.306
  196    H2     A  17           H2         A  17  32.547  25.614  28.442
  197    H5'    U  18           H5'        U  18  35.436  31.765  29.887
  198   H5''    U  18          H5''        U  18  36.744  32.538  28.989
  199    H4'    U  18           H4'        U  18  37.361  30.313  29.420
  200    H3'    U  18           H3'        U  18  36.480  30.760  26.589
  201   HO3'    U  18          HO3'        U  18  39.059  30.743  27.846
  202    H2'    U  18           H2'        U  18  37.045  28.929  25.787
  203   HO2'    U  18          HO2'        U  18  38.433  28.142  28.225
  204    H1'    U  18           H1'        U  18  36.097  27.447  27.942
  205    H3     U  18           H3         U  18  33.931  26.087  24.329
  206    H5     U  18           H5         U  18  32.611  30.040  24.866
  207    H6     U  18           H6         U  18  34.131  30.208  26.768