*HEADER    DNA                                     23-JUL-15   2N5P              
*TITLE     UNIVERSAL BASE CONTROL OLIGONUCLEOTIDE STRUCTURE                      
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA_(5'-D(*AP*TP*GP*GP*AP*GP*CP*TP*C)-3');                 
*COMPND   3 CHAIN: A;                                                            
*COMPND   4 ENGINEERED: YES;                                                     
*COMPND   5 MOL_ID: 2;                                                           
*COMPND   6 MOLECULE: DNA_(5'-D(*GP*AP*GP*CP*TP*CP*CP*AP*T)-3');                 
*COMPND   7 CHAIN: B;                                                            
*COMPND   8 ENGINEERED: YES                                                      
*SOURCE    MOL_ID: 1;                                                            
*SOURCE   2 SYNTHETIC: YES;                                                      
*SOURCE   3 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   4 ORGANISM_TAXID: 32630;                                               
*SOURCE   5 MOL_ID: 2;                                                           
*SOURCE   6 SYNTHETIC: YES;                                                      
*SOURCE   7 ORGANISM_SCIENTIFIC: SYNTHETIC CONSTRUCT;                            
*SOURCE   8 ORGANISM_TAXID: 32630                                                
*KEYWDS    NUCLEIC ACID, DNA, UNIVERSAL BASE, SYNTHETIC BASE                     
*EXPDTA    SOLUTION NMR                                                          
*NUMMDL    1                                                                     
*AUTHOR    A.M.SPRING-CONNELL, M.G.EVICH, F.SEELA, M.W.GERMANN                   
*REVDAT   1   07-SEP-16 2N5P    0                                                


#UB Control sequence
# 5?-ATGGAGCTC-3?
# 3?-TACCTCGAG-5?

# MARDIGRAS NOESY Distance Restraints
# distance constraint number   1
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.880, r2 = 2.880, r3 = 3.790, r4 = 5.790,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   2
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.280, r2 = 2.280, r3 = 2.600, r4 = 4.600,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   3
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.120, r2 = 3.120, r3 = 4.320, r4 = 6.320,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   4
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 0.840, r2 = 2.840, r3 = 3.180, r4 = 5.180,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   5
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.100, r2 = 3.100, r3 = 3.880, r4 = 5.880,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   6
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.380, r2 = 3.380, r3 = 4.440, r4 = 6.440,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   7
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.060, r2 = 3.060, r3 = 3.920, r4 = 5.920,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   8
 &rst  iat =  5,  4, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 0.980, r2 = 2.980, r3 = 3.270, r4 = 5.270,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   9
 &rst  iat =  5,  4, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 1.430, r2 = 3.430, r3 = 4.680, r4 = 6.680,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  10
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 2.010, r2 = 4.010, r3 = 5.360, r4 = 7.360,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  11
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 1.670, r2 = 3.670, r3 = 5.210, r4 = 7.210,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  12
 &rst  iat =  6,  5, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 1.620, r2 = 3.620, r3 = 4.540, r4 = 6.540,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  13
 &rst  iat =  6,  5, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 0.490, r2 = 2.490, r3 = 2.630, r4 = 4.630,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  14
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.220, r2 = 3.220, r3 = 3.970, r4 = 5.970,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  15
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.330, r2 = 3.330, r3 = 4.350, r4 = 6.350,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  16
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.490, r2 = 3.490, r3 = 4.600, r4 = 6.600,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  17
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 0.940, r2 = 2.940, r3 = 3.390, r4 = 5.390,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  18
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 1.800, r2 = 3.800, r3 = 4.800, r4 = 6.800,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  19
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H5',atnam(2)='H1''',
       r1 = 1.650, r2 = 3.650, r3 = 5.210, r4 = 7.210,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  20
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 1.340, r2 = 3.340, r3 = 3.940, r4 = 5.940,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  21
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H5',atnam(2)='H3''',
       r1 = 1.880, r2 = 3.880, r3 = 4.910, r4 = 6.910,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  22
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.090, r2 = 3.090, r3 = 3.740, r4 = 5.740,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  23
 &rst  iat = -1 , 208,ir6=1,
       igr1 = 241, 242, 243,
       r1 = 1.390, r2 = 3.390, r3 = 3.610, r4 = 5.610,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  24
 &rst  iat = -1 , 210,
       igr1 = 241, 242, 243,
       r1 = 1.760, r2 = 3.760, r3 = 4.180, r4 = 6.180,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  25
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.010, r2 = 2.010, r3 = 2.290, r4 = 4.290,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  26
 &rst  iat =  9,  8, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.490, r2 = 3.490, r3 = 4.820, r4 = 6.820,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  27
 &rst  iat =  9,  8, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.270, r2 = 3.270, r3 = 4.040, r4 = 6.040,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  28
 &rst  iat = 272, -1 ,
       igr2 = 241, 242, 243,
       r1 = 2.060, r2 = 4.060, r3 = 4.930, r4 = 6.930,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  29
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 0.190, r2 = 2.190, r3 = 2.500, r4 = 4.500,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  30
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.360, r2 = 2.360, r3 = 2.560, r4 = 4.560,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  31
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 1.130, r2 = 3.130, r3 = 4.420, r4 = 6.420,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  32
 &rst  iat = 11, 10, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.750, r2 = 3.750, r3 = 5.000, r4 = 7.000,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  33
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.310, r2 = 3.310, r3 = 4.270, r4 = 6.270,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  34
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 0.740, r2 = 2.740, r3 = 3.190, r4 = 5.190,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  35
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 1.670, r2 = 3.670, r3 = 4.740, r4 = 6.740,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  36
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.040, r2 = 3.040, r3 = 4.150, r4 = 6.150,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  37
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 0.520, r2 = 2.520, r3 = 2.730, r4 = 4.730,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  38
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.100, r2 = 3.100, r3 = 3.940, r4 = 5.940,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  39
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.570, r2 = 3.570, r3 = 4.850, r4 = 6.850,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  40
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 0.880, r2 = 2.880, r3 = 3.140, r4 = 5.140,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  41
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 1.820, r2 = 3.820, r3 = 5.280, r4 = 7.280,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  42
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H5',atnam(2)='H1''',
       r1 = 2.240, r2 = 4.240, r3 = 5.110, r4 = 7.110,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  43
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 1.380, r2 = 3.380, r3 = 4.080, r4 = 6.080,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  44
 &rst  iat = -1 , 397,
       igr1 = 430, 431, 432,
       r1 = 1.470, r2 = 3.470, r3 = 3.750, r4 = 5.750,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  45
 &rst  iat = -1 , 399,
       igr1 = 430, 431, 432,
       r1 = 1.740, r2 = 3.740, r3 = 4.140, r4 = 6.140,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  46
 &rst  iat = 442, -1 ,
       igr2 = 430, 431, 432,
       r1 = 2.250, r2 = 4.250, r3 = 5.180, r4 = 7.180,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  47
 &rst  iat = 461, -1 ,
       igr2 = 430, 431, 432,
       r1 = 2.040, r2 = 4.040, r3 = 4.980, r4 = 6.980,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  48
 &rst  iat = 15, 14, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
       r1 = 0.890, r2 = 2.890, r3 = 3.390, r4 = 5.390,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  49
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.080, r2 = 2.080, r3 = 2.220, r4 = 4.220,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  50
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 1.210, r2 = 3.210, r3 = 4.130, r4 = 6.130,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  51
 &rst  iat = 17, 16, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.090, r2 = 3.090, r3 = 3.920, r4 = 5.920,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  52
 &rst  iat = 17, 16, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 1.000, r2 = 3.000, r3 = 3.510, r4 = 5.510,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  53
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 0.900, r2 = 2.900, r3 = 3.340, r4 = 5.340,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  54
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.330, r2 = 3.330, r3 = 4.170, r4 = 6.170,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  55
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.340, r2 = 3.340, r3 = 4.400, r4 = 6.400,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  56
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.680, r2 = 2.680, r3 = 3.320, r4 = 5.320,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  57
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.100, r2 = 2.100, r3 = 2.270, r4 = 4.270,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  58
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.040, r2 = 2.040, r3 = 2.380, r4 = 4.380,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  59
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 1.070, r2 = 3.070, r3 = 4.630, r4 = 6.630,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  60
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.200, r2 = 3.200, r3 = 4.180, r4 = 6.180,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  61
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 1.610, r2 = 3.610, r3 = 5.000, r4 = 7.000,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  62
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 1.100, r2 = 3.100, r3 = 3.940, r4 = 5.940,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  63
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 0.460, r2 = 2.460, r3 = 2.660, r4 = 4.660,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  64
 &rst  iat = -1 , 516,
       igr1 = 554, 555, 556,
       r1 = 2.520, r2 = 4.520, r3 = 5.850, r4 = 7.850,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  65
 &rst  iat = -1 , 519,
       igr1 = 554, 555, 556,
       r1 = 1.580, r2 = 3.580, r3 = 3.830, r4 = 5.830,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  66
 &rst  iat = -1 , 532,
       igr1 = 554, 555, 556,
       r1 = 2.350, r2 = 4.350, r3 = 5.460, r4 = 7.460,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  67
 &rst  iat = -1 , 534,
       igr1 = 554, 555, 556,
       r1 = 1.580, r2 = 3.580, r3 = 4.760, r4 = 6.760,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  68
 &rst  iat = -1 , 535,
       igr1 = 554, 555, 556,
       r1 = 1.580, r2 = 3.580, r3 = 4.550, r4 = 6.550,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  69
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.120, r2 = 3.120, r3 = 3.550, r4 = 5.550,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  70
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 0.780, r2 = 2.780, r3 = 4.170, r4 = 6.170,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  71
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
       r1 = 0.080, r2 = 2.080, r3 = 2.410, r4 = 4.410,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  72
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.770, r2 = 2.770, r3 = 3.080, r4 = 5.080,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  73
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.610, r2 = 3.610, r3 = 5.110, r4 = 7.110,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  74
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.700, r2 = 2.700, r3 = 2.990, r4 = 4.990,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  75
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.960, r2 = 3.960, r3 = 4.720, r4 = 6.720,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  76
 &rst  iat =  4,  3, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 1.910, r2 = 3.910, r3 = 5.260, r4 = 7.260,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  77
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 1.450, r2 = 3.450, r3 = 4.480, r4 = 6.480,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  78
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H8',atnam(2)='H4''',
       r1 = 1.690, r2 = 3.690, r3 = 4.690, r4 = 6.690,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  79
 &rst  iat =  4,  5, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 0.530, r2 = 2.530, r3 = 2.730, r4 = 4.730,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  80
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.180, r2 = 3.180, r3 = 3.940, r4 = 5.940,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  81
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.280, r2 = 3.280, r3 = 3.950, r4 = 5.950,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  82
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.610, r2 = 2.610, r3 = 2.900, r4 = 4.900,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  83
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.770, r2 = 3.770, r3 = 5.120, r4 = 7.120,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  84
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H4''',atnam(2)='H6',
       r1 = 1.890, r2 = 3.890, r3 = 5.290, r4 = 7.290,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  85
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.590, r2 = 2.590, r3 = 2.890, r4 = 4.890,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  86
 &rst  iat =  7,  8, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.650, r2 = 3.650, r3 = 5.120, r4 = 7.120,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  87
 &rst  iat = 205, -1 ,
       igr2 = 241, 242, 243,
       r1 = 2.500, r2 = 4.500, r3 = 6.210, r4 = 8.210,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  88
 &rst  iat =  7,  8, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.500, r2 = 3.500, r3 = 5.030, r4 = 7.030,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  89
 &rst  iat = 219, -1 ,
       igr2 = 241, 242, 243,
       r1 = 1.410, r2 = 3.410, r3 = 3.660, r4 = 5.660,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  90
 &rst  iat = 221, -1 ,
       igr2 = 241, 242, 243,
       r1 = 1.240, r2 = 3.240, r3 = 3.650, r4 = 5.650,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  91
 &rst  iat = 222, -1 ,
       igr2 = 241, 242, 243,
       r1 = 1.940, r2 = 3.940, r3 = 5.230, r4 = 7.230,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  92
 &rst  iat = 253, -1 ,
       igr2 = 241, 242, 243,
       r1 = 1.740, r2 = 3.740, r3 = 4.640, r4 = 6.640,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  93
 &rst  iat =  8,  9, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.830, r2 = 2.830, r3 = 3.260, r4 = 5.260,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  94
 &rst  iat =  8,  9, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.160, r2 = 3.160, r3 = 3.710, r4 = 5.710,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  95
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.330, r2 = 3.330, r3 = 4.080, r4 = 6.080,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  96
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.240, r2 = 3.240, r3 = 3.970, r4 = 5.970,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  97
 &rst  iat = 10, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.170, r2 = 3.170, r3 = 3.610, r4 = 5.610,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  98
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.170, r2 = 3.170, r3 = 3.990, r4 = 5.990,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  99
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 0.560, r2 = 2.560, r3 = 3.300, r4 = 5.300,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 100
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.590, r2 = 2.590, r3 = 2.840, r4 = 4.840,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 101
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.650, r2 = 3.650, r3 = 5.040, r4 = 7.040,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 102
 &rst  iat = 12, 13, iresid = 1, atnam(1)='H4''',atnam(2)='H6',
       r1 = 2.340, r2 = 4.340, r3 = 5.670, r4 = 7.670,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 103
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.300, r2 = 3.300, r3 = 4.300, r4 = 6.300,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 104
 &rst  iat = 408, -1 ,
       igr2 = 430, 431, 432,
       r1 = 1.330, r2 = 3.330, r3 = 3.620, r4 = 5.620,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 105
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.140, r2 = 3.140, r3 = 3.670, r4 = 5.670,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 106
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 0.870, r2 = 2.870, r3 = 3.530, r4 = 5.530,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 107
 &rst  iat = 14, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.130, r2 = 3.130, r3 = 3.540, r4 = 5.540,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 108
 &rst  iat = 410, -1 ,
       igr2 = 430, 431, 432,
       r1 = 1.100, r2 = 3.100, r3 = 3.510, r4 = 5.510,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 109
 &rst  iat = 411, -1 ,
       igr2 = 430, 431, 432,
       r1 = 1.810, r2 = 3.810, r3 = 4.890, r4 = 6.890,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 110
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.200, r2 = 3.200, r3 = 3.840, r4 = 5.840,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 111
 &rst  iat = 15, 16, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 0.650, r2 = 2.650, r3 = 2.840, r4 = 4.840,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 112
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.160, r2 = 2.160, r3 = 2.480, r4 = 4.480,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 113
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.340, r2 = 3.340, r3 = 4.030, r4 = 6.030,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 114
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 0.960, r2 = 2.960, r3 = 4.510, r4 = 6.510,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 115
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
       r1 = 0.280, r2 = 2.280, r3 = 2.560, r4 = 4.560,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 116
 &rst  iat = 16, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.240, r2 = 3.240, r3 = 4.180, r4 = 6.180,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 117
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.830, r2 = 2.830, r3 = 3.220, r4 = 5.220,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 118
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.890, r2 = 3.890, r3 = 4.860, r4 = 6.860,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 119
 &rst  iat = 17, 18, iresid = 1, atnam(1)='H4''',atnam(2)='H6',
       r1 = 1.840, r2 = 3.840, r3 = 5.140, r4 = 7.140,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 120
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.190, r2 = 3.190, r3 = 3.720, r4 = 5.720,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 121
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 0.000, r2 = 1.930, r3 = 2.320, r4 = 4.320,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 122
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 0.660, r2 = 2.660, r3 = 3.580, r4 = 5.580,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 123
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 0.990, r2 = 2.990, r3 = 3.460, r4 = 5.460,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 124
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.150, r2 = 2.150, r3 = 2.280, r4 = 4.280,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 125
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 0.800, r2 = 2.800, r3 = 4.050, r4 = 6.050,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 126
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.620, r2 = 2.620, r3 = 3.420, r4 = 5.420,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 127
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.380, r2 = 2.380, r3 = 3.410, r4 = 5.410,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 128
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.170, r2 = 2.170, r3 = 2.320, r4 = 4.320,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 129
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.140, r2 = 2.140, r3 = 2.530, r4 = 4.530,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 130
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.230, r2 = 2.230, r3 = 3.590, r4 = 5.590,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 131
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.140, r2 = 2.140, r3 = 2.400, r4 = 4.400,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 132
 &rst  iat = 14, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H5',
       r1 = 0.820, r2 = 2.820, r3 = 3.250, r4 = 5.250,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 133
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.050, r2 = 2.050, r3 = 2.330, r4 = 4.330,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 134
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.690, r2 = 2.690, r3 = 4.060, r4 = 6.060,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 135
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.560, r2 = 3.560, r3 = 5.120, r4 = 7.120,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 136
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.710, r2 = 3.710, r3 = 4.780, r4 = 6.780,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 137
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.700, r2 = 3.700, r3 = 4.890, r4 = 6.890,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 138
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
       r1 = 1.420, r2 = 3.420, r3 = 4.470, r4 = 6.470,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 139
 &rst  iat = 16, 15, iresid = 1, atnam(1)='H5',atnam(2)='H2''2',
       r1 = 0.690, r2 = 2.690, r3 = 4.520, r4 = 6.520,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 140
 &rst  iat = 16, 15, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
       r1 = 0.580, r2 = 2.580, r3 = 3.040, r4 = 5.040,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 141
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.770, r2 = 3.770, r3 = 4.910, r4 = 6.910,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 142
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H3''',atnam(2)='H2''2',
       r1 = 0.750, r2 = 2.750, r3 = 3.190, r4 = 5.190,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 143
 &rst  iat = 394, -1 ,
       igr2 = 430, 431, 432,
       r1 = 2.830, r2 = 4.830, r3 = 6.080, r4 = 8.080,
       rk2 =30.000, rk3 =30.000, &end


#UB Control locked anti conformation for A1
#A1H8-H1' anti = 3.7A
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 2.500, r2 = 3.500, r3 = 3.900, r4 = 4.900,
       rk2 =30.000, rk3 =30.000, &end
#A1H1'-T2H6 anti = 3.5A
 &rst  iat =  2,  1, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 2.300, r2 = 3.300, r3 = 3.700, r4 = 4.700,
       rk2 =30.000, rk3 =30.000, &end


# Watson-Crick base pair restraints
# 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, 5-14

 &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 =  5,  14, 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 =  5,  14, 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, /   


# 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, 11-8, 5-14

 &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 =  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, /

 &rst  iat =  5,  14, 14, 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 =  5,  5, 14, 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, /


#EPSILON RESTRAINTS
#measured epsilon torsion angles from CTNOESY
#the following were used as inputs for makeANG
# 1 ADE EPSILN   183.0  203.0
# 2 THY EPSILN   183.4  203.4
# 3 GUA EPSILN   179.9  199.9
# 4 GUA EPSILN   178.8  198.8
# 5 ADE EPSILN   175.8  195.8  (note below)
# 6 GUA EPSILN   179.1  199.1
# 7 CYT EPSILN   182.8  202.8
# 8 THY EPSILN   181.3  201.3
#10 GUA EPSILN   181.6  201.6
#11 ADE EPSILN   175.9  195.9  (note below)
#12 GUA EPSILN   178.2  198.2
#13 CYT EPSILN   180.8  200.8
#14 THY EPSILN   175.0  195.0
#15 CYT EPSILN   181.4  201.4
#16 CYT EPSILN   182.2  202.2
#17 ADE EPSILN   178.2  198.2
#
#note, A5 and A11 epsilon values had few data points from
#CTNOESY.  Well widths opened up for those two.
#
#Epsilon restraints:
# 1 ADE EPSILN:  (1 DA5 C4')-(1 DA5 C3')-(1 DA5 O3')-(2 DT P) 183.0 203.0
 &rst     iat =     6,    25,    30,    31,
   r1 = 182.0, r2 = 183.0, r3 = 203.0, r4 = 204.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 2 THY EPSILN:  (2 DT C4')-(2 DT C3')-(2 DT O3')-(3 DG P) 183.4 203.4
 &rst     iat =    38,    57,    62,    63,
   r1 = 182.4, r2 = 183.4, r3 = 203.4, r4 = 204.4,
 rk2 =   50.0, rk3 =   50.0, &end

# 3 GUA EPSILN:  (3 DG C4')-(3 DG C3')-(3 DG O3')-(4 DG P) 179.9 199.9
 &rst     iat =    70,    90,    95,    96,
   r1 = 178.9, r2 = 179.9, r3 = 199.9, r4 = 200.9,
 rk2 =   50.0, rk3 =   50.0, &end

# 4 GUA EPSILN:  (4 DG C4')-(4 DG C3')-(4 DG O3')-(5 DA P) 178.8 198.8
 &rst     iat =   103,   123,   128,   129,
   r1 = 177.8, r2 = 178.8, r3 = 198.8, r4 = 199.8,
 rk2 =   100.0, rk3 =   100.0, &end

# 5 ADE EPSILN:  (5 DA C4')-(5 DA C3')-(5 DA O3')-(6 DG P) 175.8 195.8
 &rst     iat =   136,   155,   160,   161,
   r1 = 174.8, r2 = 175.8, r3 = 195.8, r4 = 196.8,
 rk2 =   50.0, rk3 =   50.0, &end

# 6 GUA EPSILN:  (6 DG C4')-(6 DG C3')-(6 DG O3')-(7 DC P) 179.1 199.1
 &rst     iat =   168,   188,   193,   194,
   r1 = 178.1, r2 = 179.1, r3 = 199.1, r4 = 200.1,
 rk2 =   50.0, rk3 =   50.0, &end

# 7 CYT EPSILN:  (7 DC C4')-(7 DC C3')-(7 DC O3')-(8 DT P) 182.8 202.8
 &rst     iat =   201,   218,   223,   224,
   r1 = 181.8, r2 = 182.8, r3 = 202.8, r4 = 203.8,
 rk2 =   50.0, rk3 =   50.0, &end

# 8 THY EPSILN:  (8 DT C4')-(8 DT C3')-(8 DT O3')-(9 DC3 P) 181.3 201.3
 &rst     iat =   231,   250,   255,   256,
   r1 = 180.3, r2 = 181.3, r3 = 201.3, r4 = 202.3,
 rk2 =   50.0, rk3 =   50.0, &end

# 10 GUA EPSILN:  (10 DG5 C4')-(10 DG5 C3')-(10 DG5 O3')-(11 DA P) 181.6 201.6
 &rst     iat =   292,   312,   317,   318,
   r1 = 180.6, r2 = 181.6, r3 = 201.6, r4 = 202.6,
 rk2 =   50.0, rk3 =   50.0, &end

# 11 ADE EPSILN:  (11 DA C4')-(11 DA C3')-(11 DA O3')-(12 DG P) 175.9 195.9
 &rst     iat =   325,   344,   349,   350,
   r1 = 164.9, r2 = 165.9, r3 = 205.9, r4 = 206.9,
 rk2 =   50.0, rk3 =   50.0, &end

# 12 GUA EPSILN:  (12 DG C4')-(12 DG C3')-(12 DG O3')-(13 DC P) 178.2 198.2
 &rst     iat =   357,   377,   382,   383,
   r1 = 177.2, r2 = 178.2, r3 = 198.2, r4 = 199.2,
 rk2 =   50.0, rk3 =   50.0, &end

# 13 CYT EPSILN:  (13 DC C4')-(13 DC C3')-(13 DC O3')-(14 DT P) 180.8 200.8
 &rst     iat =   390,   407,   412,   413,
   r1 = 179.8, r2 = 180.8, r3 = 200.8, r4 = 201.8,
 rk2 =   50.0, rk3 =   50.0, &end

# 14 THY EPSILN:  (14 DT C4')-(14 DT C3')-(14 DT O3')-(15 DC P) 175.0 195.0
 &rst     iat =   420,   439,   444,   445,
   r1 = 174.0, r2 = 175.0, r3 = 195.0, r4 = 196.0,
 rk2 =   50.0, rk3 =   50.0, &end

# 15 CYT EPSILN:  (15 DC C4')-(15 DC C3')-(15 DC O3')-(16 DC P) 181.4 201.4
 &rst     iat =   452,   469,   474,   475,
   r1 = 180.4, r2 = 181.4, r3 = 201.4, r4 = 202.4,
 rk2 =   50.0, rk3 =   50.0, &end

# 16 CYT EPSILN:  (16 DC C4')-(16 DC C3')-(16 DC O3')-(17 DA P) 182.2 202.2
 &rst     iat =   482,   499,   504,   505,
   r1 = 181.2, r2 = 182.2, r3 = 202.2, r4 = 203.2,
 rk2 =   50.0, rk3 =   50.0, &end

# 17 ADE EPSILN:  (17 DA C4')-(17 DA C3')-(17 DA O3')-(18 DT3 P) 178.2 198.2
 &rst     iat =   512,   531,   536,   537,
   r1 = 177.2, r2 = 178.2, r3 = 198.2, r4 = 199.2,
 rk2 =   50.0, rk3 =   50.0, &end




# BACKBONE TORSION ANGLE RESTRAINTS
# torsion angle constraint number   t gamma
# See above for CTNOESY epsilon restraints
 &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   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   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   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   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   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   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   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   t gamma
 &rst  iat =  10,  10,  10,  10, 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 =  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   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   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   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   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   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   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   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, /




# SUGAR RESTRAINTS
# 1 ADE PPA      135.0  180.0
# 2 THY PPA      135.0  180.0
# 3 GUA PPA      135.0  180.0
# 4 GUA PPA      135.0  180.0
# 5 ADE PPA      135.0  180.0
# 6 GUA PPA      135.0  180.0
# 7 CYT PPA      135.0  180.0
# 8 THY PPA      135.0  180.0
# 9 CYT PPA      135.0  180.0
#10 GUA PPA      135.0  180.0
#11 ADE PPA      135.0  180.0
#12 GUA PPA      135.0  180.0
#13 CYT PPA      135.0  180.0
#14 THY PPA      135.0  180.0
#15 CYT PPA      135.0  180.0
#16 CYT PPA      135.0  180.0
#17 ADE PPA      135.0  180.0
#18 THY PPA      135.0  180.0
# 1 ADE NU0:  (1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2') -38.1  -8.1
 &rst     iat =     6,     8,     9,    27,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
   rk2 =   50.5, rk3 =   50.5,    &end

# 1 ADE NU1:  (1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3')  19.8  49.8
 &rst     iat =     8,     9,    27,    25,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 1 ADE NU2:  (1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4') -47.9 -17.9
 &rst     iat =     9,    27,    25,     6,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 1 ADE NU3:  (1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4')   3.6  33.6
 &rst     iat =    27,    25,     6,     8,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 1 ADE NU4:  (1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1') -12.2  17.8
 &rst     iat =    25,     6,     8,     9,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 2 THY NU0:  (2 DT C4')-(2 DT O4')-(2 DT C1')-(2 DT C2') -38.1  -8.1
 &rst     iat =    38,    40,    41,    59,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 2 THY NU1:  (2 DT O4')-(2 DT C1')-(2 DT C2')-(2 DT C3')  19.8  49.8
 &rst     iat =    40,    41,    59,    57,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 2 THY NU2:  (2 DT C1')-(2 DT C2')-(2 DT C3')-(2 DT C4') -47.9 -17.9
 &rst     iat =    41,    59,    57,    38,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 2 THY NU3:  (2 DT C2')-(2 DT C3')-(2 DT C4')-(2 DT O4')   3.6  33.6
 &rst     iat =    59,    57,    38,    40,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 2 THY NU4:  (2 DT C3')-(2 DT C4')-(2 DT O4')-(2 DT C1') -12.2  17.8
 &rst     iat =    57,    38,    40,    41,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 3 GUA NU0:  (3 DG C4')-(3 DG O4')-(3 DG C1')-(3 DG C2') -38.1  -8.1
 &rst     iat =    70,    72,    73,    92,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 3 GUA NU1:  (3 DG O4')-(3 DG C1')-(3 DG C2')-(3 DG C3')  19.8  49.8
 &rst     iat =    72,    73,    92,    90,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 3 GUA NU2:  (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') -47.9 -17.9
 &rst     iat =    73,    92,    90,    70,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 3 GUA NU3:  (3 DG C2')-(3 DG C3')-(3 DG C4')-(3 DG O4')   3.6  33.6
 &rst     iat =    92,    90,    70,    72,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 3 GUA NU4:  (3 DG C3')-(3 DG C4')-(3 DG O4')-(3 DG C1') -12.2  17.8
 &rst     iat =    90,    70,    72,    73,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 4 GUA NU0:  (4 DG C4')-(4 DG O4')-(4 DG C1')-(4 DG C2') -38.1  -8.1
 &rst     iat =   103,   105,   106,   125,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 4 GUA NU1:  (4 DG O4')-(4 DG C1')-(4 DG C2')-(4 DG C3')  19.8  49.8
 &rst     iat =   105,   106,   125,   123,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 4 GUA NU2:  (4 DG C1')-(4 DG C2')-(4 DG C3')-(4 DG C4') -47.9 -17.9
 &rst     iat =   106,   125,   123,   103,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 4 GUA NU3:  (4 DG C2')-(4 DG C3')-(4 DG C4')-(4 DG O4')   3.6  33.6
 &rst     iat =   125,   123,   103,   105,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 4 GUA NU4:  (4 DG C3')-(4 DG C4')-(4 DG O4')-(4 DG C1') -12.2  17.8
 &rst     iat =   123,   103,   105,   106,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 5 ADE NU0:  (5 DA C4')-(5 DA O4')-(5 DA C1')-(5 DA C2') -38.1  -8.1
 &rst     iat =   136,   138,   139,   157,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 5 ADE NU1:  (5 DA O4')-(5 DA C1')-(5 DA C2')-(5 DA C3')  19.8  49.8
 &rst     iat =   138,   139,   157,   155,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 5 ADE NU2:  (5 DA C1')-(5 DA C2')-(5 DA C3')-(5 DA C4') -47.9 -17.9
 &rst     iat =   139,   157,   155,   136,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 5 ADE NU3:  (5 DA C2')-(5 DA C3')-(5 DA C4')-(5 DA O4')   3.6  33.6
 &rst     iat =   157,   155,   136,   138,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 5 ADE NU4:  (5 DA C3')-(5 DA C4')-(5 DA O4')-(5 DA C1') -12.2  17.8
 &rst     iat =   155,   136,   138,   139,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 6 GUA NU0:  (6 DG C4')-(6 DG O4')-(6 DG C1')-(6 DG C2') -38.1  -8.1
 &rst     iat =   168,   170,   171,   190,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 6 GUA NU1:  (6 DG O4')-(6 DG C1')-(6 DG C2')-(6 DG C3')  19.8  49.8
 &rst     iat =   170,   171,   190,   188,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 6 GUA NU2:  (6 DG C1')-(6 DG C2')-(6 DG C3')-(6 DG C4') -47.9 -17.9
 &rst     iat =   171,   190,   188,   168,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 6 GUA NU3:  (6 DG C2')-(6 DG C3')-(6 DG C4')-(6 DG O4')   3.6  33.6
 &rst     iat =   190,   188,   168,   170,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 6 GUA NU4:  (6 DG C3')-(6 DG C4')-(6 DG O4')-(6 DG C1') -12.2  17.8
 &rst     iat =   188,   168,   170,   171,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 7 CYT NU0:  (7 DC C4')-(7 DC O4')-(7 DC C1')-(7 DC C2') -38.1  -8.1
 &rst     iat =   201,   203,   204,   220,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 7 CYT NU1:  (7 DC O4')-(7 DC C1')-(7 DC C2')-(7 DC C3')  19.8  49.8
 &rst     iat =   203,   204,   220,   218,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 7 CYT NU2:  (7 DC C1')-(7 DC C2')-(7 DC C3')-(7 DC C4') -47.9 -17.9
 &rst     iat =   204,   220,   218,   201,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 7 CYT NU3:  (7 DC C2')-(7 DC C3')-(7 DC C4')-(7 DC O4')   3.6  33.6
 &rst     iat =   220,   218,   201,   203,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 7 CYT NU4:  (7 DC C3')-(7 DC C4')-(7 DC O4')-(7 DC C1') -12.2  17.8
 &rst     iat =   218,   201,   203,   204,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 8 THY NU0:  (8 DT C4')-(8 DT O4')-(8 DT C1')-(8 DT C2') -38.1  -8.1
 &rst     iat =   231,   233,   234,   252,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 8 THY NU1:  (8 DT O4')-(8 DT C1')-(8 DT C2')-(8 DT C3')  19.8  49.8
 &rst     iat =   233,   234,   252,   250,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 8 THY NU2:  (8 DT C1')-(8 DT C2')-(8 DT C3')-(8 DT C4') -47.9 -17.9
 &rst     iat =   234,   252,   250,   231,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 8 THY NU3:  (8 DT C2')-(8 DT C3')-(8 DT C4')-(8 DT O4')   3.6  33.6
 &rst     iat =   252,   250,   231,   233,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 8 THY NU4:  (8 DT C3')-(8 DT C4')-(8 DT O4')-(8 DT C1') -12.2  17.8
 &rst     iat =   250,   231,   233,   234,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 9 CYT NU0:  (9 DC3 C4')-(9 DC3 O4')-(9 DC3 C1')-(9 DC3 C2') -38.1  -8.1
 &rst     iat =   263,   265,   266,   282,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 9 CYT NU1:  (9 DC3 O4')-(9 DC3 C1')-(9 DC3 C2')-(9 DC3 C3')  19.8  49.8
 &rst     iat =   265,   266,   282,   280,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 9 CYT NU2:  (9 DC3 C1')-(9 DC3 C2')-(9 DC3 C3')-(9 DC3 C4') -47.9 -17.9
 &rst     iat =   266,   282,   280,   263,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 9 CYT NU3:  (9 DC3 C2')-(9 DC3 C3')-(9 DC3 C4')-(9 DC3 O4')   3.6  33.6
 &rst     iat =   282,   280,   263,   265,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 9 CYT NU4:  (9 DC3 C3')-(9 DC3 C4')-(9 DC3 O4')-(9 DC3 C1') -12.2  17.8
 &rst     iat =   280,   263,   265,   266,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 10 GUA NU0:  (10 DG5 C4')-(10 DG5 O4')-(10 DG5 C1')-(10 DG5 C2') -38.1  -8.1
 &rst     iat =   292,   294,   295,   314,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 10 GUA NU1:  (10 DG5 O4')-(10 DG5 C1')-(10 DG5 C2')-(10 DG5 C3')  19.8  49.8
 &rst     iat =   294,   295,   314,   312,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 10 GUA NU2:  (10 DG5 C1')-(10 DG5 C2')-(10 DG5 C3')-(10 DG5 C4') -47.9 -17.9
 &rst     iat =   295,   314,   312,   292,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 10 GUA NU3:  (10 DG5 C2')-(10 DG5 C3')-(10 DG5 C4')-(10 DG5 O4')   3.6  33.6
 &rst     iat =   314,   312,   292,   294,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 10 GUA NU4:  (10 DG5 C3')-(10 DG5 C4')-(10 DG5 O4')-(10 DG5 C1') -12.2  17.8
 &rst     iat =   312,   292,   294,   295,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 11 ADE NU0:  (11 DA C4')-(11 DA O4')-(11 DA C1')-(11 DA C2') -38.1  -8.1
 &rst     iat =   325,   327,   328,   346,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 11 ADE NU1:  (11 DA O4')-(11 DA C1')-(11 DA C2')-(11 DA C3')  19.8  49.8
 &rst     iat =   327,   328,   346,   344,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 11 ADE NU2:  (11 DA C1')-(11 DA C2')-(11 DA C3')-(11 DA C4') -47.9 -17.9
 &rst     iat =   328,   346,   344,   325,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 11 ADE NU3:  (11 DA C2')-(11 DA C3')-(11 DA C4')-(11 DA O4')   3.6  33.6
 &rst     iat =   346,   344,   325,   327,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 11 ADE NU4:  (11 DA C3')-(11 DA C4')-(11 DA O4')-(11 DA C1') -12.2  17.8
 &rst     iat =   344,   325,   327,   328,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 12 GUA NU0:  (12 DG C4')-(12 DG O4')-(12 DG C1')-(12 DG C2') -38.1  -8.1
 &rst     iat =   357,   359,   360,   379,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 12 GUA NU1:  (12 DG O4')-(12 DG C1')-(12 DG C2')-(12 DG C3')  19.8  49.8
 &rst     iat =   359,   360,   379,   377,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 12 GUA NU2:  (12 DG C1')-(12 DG C2')-(12 DG C3')-(12 DG C4') -47.9 -17.9
 &rst     iat =   360,   379,   377,   357,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 12 GUA NU3:  (12 DG C2')-(12 DG C3')-(12 DG C4')-(12 DG O4')   3.6  33.6
 &rst     iat =   379,   377,   357,   359,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 12 GUA NU4:  (12 DG C3')-(12 DG C4')-(12 DG O4')-(12 DG C1') -12.2  17.8
 &rst     iat =   377,   357,   359,   360,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 13 CYT NU0:  (13 DC C4')-(13 DC O4')-(13 DC C1')-(13 DC C2') -38.1  -8.1
 &rst     iat =   390,   392,   393,   409,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 13 CYT NU1:  (13 DC O4')-(13 DC C1')-(13 DC C2')-(13 DC C3')  19.8  49.8
 &rst     iat =   392,   393,   409,   407,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 13 CYT NU2:  (13 DC C1')-(13 DC C2')-(13 DC C3')-(13 DC C4') -47.9 -17.9
 &rst     iat =   393,   409,   407,   390,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 13 CYT NU3:  (13 DC C2')-(13 DC C3')-(13 DC C4')-(13 DC O4')   3.6  33.6
 &rst     iat =   409,   407,   390,   392,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 13 CYT NU4:  (13 DC C3')-(13 DC C4')-(13 DC O4')-(13 DC C1') -12.2  17.8
 &rst     iat =   407,   390,   392,   393,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 14 THY NU0:  (14 DT C4')-(14 DT O4')-(14 DT C1')-(14 DT C2') -38.1  -8.1
 &rst     iat =   420,   422,   423,   441,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 14 THY NU1:  (14 DT O4')-(14 DT C1')-(14 DT C2')-(14 DT C3')  19.8  49.8
 &rst     iat =   422,   423,   441,   439,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 14 THY NU2:  (14 DT C1')-(14 DT C2')-(14 DT C3')-(14 DT C4') -47.9 -17.9
 &rst     iat =   423,   441,   439,   420,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 14 THY NU3:  (14 DT C2')-(14 DT C3')-(14 DT C4')-(14 DT O4')   3.6  33.6
 &rst     iat =   441,   439,   420,   422,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 14 THY NU4:  (14 DT C3')-(14 DT C4')-(14 DT O4')-(14 DT C1') -12.2  17.8
 &rst     iat =   439,   420,   422,   423,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 15 CYT NU0:  (15 DC C4')-(15 DC O4')-(15 DC C1')-(15 DC C2') -38.1  -8.1
 &rst     iat =   452,   454,   455,   471,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 15 CYT NU1:  (15 DC O4')-(15 DC C1')-(15 DC C2')-(15 DC C3')  19.8  49.8
 &rst     iat =   454,   455,   471,   469,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 15 CYT NU2:  (15 DC C1')-(15 DC C2')-(15 DC C3')-(15 DC C4') -47.9 -17.9
 &rst     iat =   455,   471,   469,   452,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 15 CYT NU3:  (15 DC C2')-(15 DC C3')-(15 DC C4')-(15 DC O4')   3.6  33.6
 &rst     iat =   471,   469,   452,   454,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 15 CYT NU4:  (15 DC C3')-(15 DC C4')-(15 DC O4')-(15 DC C1') -12.2  17.8
 &rst     iat =   469,   452,   454,   455,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 16 CYT NU0:  (16 DC C4')-(16 DC O4')-(16 DC C1')-(16 DC C2') -38.1  -8.1
 &rst     iat =   482,   484,   485,   501,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 16 CYT NU1:  (16 DC O4')-(16 DC C1')-(16 DC C2')-(16 DC C3')  19.8  49.8
 &rst     iat =   484,   485,   501,   499,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 16 CYT NU2:  (16 DC C1')-(16 DC C2')-(16 DC C3')-(16 DC C4') -47.9 -17.9
 &rst     iat =   485,   501,   499,   482,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 16 CYT NU3:  (16 DC C2')-(16 DC C3')-(16 DC C4')-(16 DC O4')   3.6  33.6
 &rst     iat =   501,   499,   482,   484,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 16 CYT NU4:  (16 DC C3')-(16 DC C4')-(16 DC O4')-(16 DC C1') -12.2  17.8
 &rst     iat =   499,   482,   484,   485,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 17 ADE NU0:  (17 DA C4')-(17 DA O4')-(17 DA C1')-(17 DA C2') -38.1  -8.1
 &rst     iat =   512,   514,   515,   533,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 17 ADE NU1:  (17 DA O4')-(17 DA C1')-(17 DA C2')-(17 DA C3')  19.8  49.8
 &rst     iat =   514,   515,   533,   531,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 17 ADE NU2:  (17 DA C1')-(17 DA C2')-(17 DA C3')-(17 DA C4') -47.9 -17.9
 &rst     iat =   515,   533,   531,   512,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 17 ADE NU3:  (17 DA C2')-(17 DA C3')-(17 DA C4')-(17 DA O4')   3.6  33.6
 &rst     iat =   533,   531,   512,   514,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 17 ADE NU4:  (17 DA C3')-(17 DA C4')-(17 DA O4')-(17 DA C1') -12.2  17.8
 &rst     iat =   531,   512,   514,   515,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 18 THY NU0:  (18 DT3 C4')-(18 DT3 O4')-(18 DT3 C1')-(18 DT3 C2') -38.1  -8.1
 &rst     iat =   544,   546,   547,   565,
   r1 = -39.1, r2 = -38.1, r3 =  -8.1, r4 =  -7.1,
 rk2 =   50.5, rk3 =   50.5,    &end

# 18 THY NU1:  (18 DT3 O4')-(18 DT3 C1')-(18 DT3 C2')-(18 DT3 C3')  19.8  49.8
 &rst     iat =   546,   547,   565,   563,
   r1 =  18.8, r2 =  19.8, r3 =  49.8, r4 =  50.8,
 rk2 =   50.5, rk3 =   50.5,    &end

# 18 THY NU2:  (18 DT3 C1')-(18 DT3 C2')-(18 DT3 C3')-(18 DT3 C4') -47.9 -17.9
 &rst     iat =   547,   565,   563,   544,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
 rk2 =   50.5, rk3 =   50.5,    &end

# 18 THY NU3:  (18 DT3 C2')-(18 DT3 C3')-(18 DT3 C4')-(18 DT3 O4')   3.6  33.6
 &rst     iat =   565,   563,   544,   546,
   r1 =   2.6, r2 =   3.6, r3 =  33.6, r4 =  34.6,
 rk2 =   50.5, rk3 =   50.5,    &end

# 18 THY NU4:  (18 DT3 C3')-(18 DT3 C4')-(18 DT3 O4')-(18 DT3 C1') -12.2  17.8
 &rst     iat =   563,   544,   546,   547,
   r1 = -13.2, r2 = -12.2, r3 =  17.8, r4 =  18.8,
 rk2 =   50.5, rk3 =   50.5,    &end


&align
   ndip=34, dcut=-1.0, freezemol=False,
   s11=-0.206, s22=-35.079, s12=25.011, s13=-27.166, s23=-3.017,
   id(1)=44,   jd(1)=45,  dobsl(1)= 1.9, dobsu(1)= 1.9, gigj(1)= 7.84665, dij(1)= 1.09, dwt(1)=1.00000, 
   id(2)=41,   jd(2)=42,  dobsl(2)= 11.6, dobsu(2)= 11.6, gigj(2)= 7.84665, dij(2)= 1.09, dwt(2)=1.00000,
   id(3)=57,   jd(3)=58,  dobsl(3)= -4.3, dobsu(3)= -4.3, gigj(3)= 7.84665, dij(3)= 1.09, dwt(3)=1.00000, 
   id(4)=73,   jd(4)=74,  dobsl(4)= 6.6, dobsu(4)= 6.6, gigj(4)= 7.84665, dij(4)= 1.09, dwt(4)=1.00000,
   id(5)=563,   jd(5)=564,  dobsl(5)= 0.0, dobsu(5)= 0.0, gigj(5)= 7.84665, dij(5)= 1.09, dwt(5)=1.00000,
   id(6)=70,   jd(6)=71,  dobsl(6)= -2.3, dobsu(6)= -2.3, gigj(6)= 7.84665, dij(6)= 1.09, dwt(6)=1.00000,
   id(7)=109,   jd(7)=110,  dobsl(7)= 14.0, dobsu(7)= 14.0, gigj(7)= 7.84665, dij(7)= 1.09, dwt(7)=1.00000,
   id(8)=547,   jd(8)=548,  dobsl(8)= -2.0, dobsu(8)= -2.0, gigj(8)= 7.84665, dij(8)= 1.09, dwt(8)=1.00000,
   id(9)=142,   jd(9)=143,  dobsl(9)= 21.0, dobsu(9)= 21.0, gigj(9)= 7.84665, dij(9)= 1.09, dwt(9)=1.00000,
   id(10)=151,   jd(10)=152,  dobsl(10)= 13.1, dobsu(10)= 13.1, gigj(10)= 7.84665, dij(10)= 1.09, dwt(10)=1.00000,
   id(11)=295,   jd(11)=296,  dobsl(11)= 13.2, dobsu(11)= 13.2, gigj(11)= 7.84665, dij(11)= 1.09, dwt(11)=1.00000,
   id(12)=488,   jd(12)=489,  dobsl(12)= 7.5, dobsu(12)= 7.5, gigj(12)= 7.84665, dij(12)= 1.09, dwt(12)=1.00000, 
   id(13)=171,   jd(13)=172,  dobsl(13)= 8.1, dobsu(13)= 8.1, gigj(13)= 7.84665, dij(13)= 1.09, dwt(13)=1.00000,
   id(14)=106,   jd(14)=107,  dobsl(14)= -3.0, dobsu(14)= -3.0, gigj(14)= 7.84665, dij(14)= 1.09, dwt(14)=1.00000,
   id(15)=237,   jd(15)=238,  dobsl(15)= 2.2, dobsu(15)= 2.2, gigj(15)= 7.84665, dij(15)= 1.09, dwt(15)=1.00000, 
   id(16)=234,   jd(16)=235,  dobsl(16)= 4.7, dobsu(16)= 4.7, gigj(16)= 7.84665, dij(16)= 1.09, dwt(16)=1.00000, 
   id(17)=515,   jd(17)=516,  dobsl(17)= 4.7, dobsu(17)= 4.7, gigj(17)= 7.84665, dij(17)= 1.09, dwt(17)=1.00000,
   id(18)=269,   jd(18)=270,  dobsl(18)= 3.7, dobsu(18)= 3.7, gigj(18)= 7.84665, dij(18)= 1.09, dwt(18)=1.00000, 
   id(19)=271,   jd(19)=272,  dobsl(19)= 4.8, dobsu(19)= 4.8, gigj(19)= 7.84665, dij(19)= 1.09, dwt(19)=1.00000, 
   id(20)=266,   jd(20)=267,  dobsl(20)= -1.1, dobsu(20)= -1.1, gigj(20)= 7.84665, dij(20)= 1.09, dwt(20)=1.00000,
   id(21)=482,   jd(21)=483,  dobsl(21)= 19.7, dobsu(21)= 19.7, gigj(21)= 7.84665, dij(21)= 1.09, dwt(21)=1.00000, 
   id(22)=527,   jd(22)=528,  dobsl(22)= 8.1, dobsu(22)= 8.1, gigj(22)= 7.84665, dij(22)= 1.09, dwt(22)=1.00000, 
   id(23)=550,   jd(23)=551,  dobsl(23)= 1.2, dobsu(23)= 1.2, gigj(23)= 7.84665, dij(23)= 1.09, dwt(23)=1.00000,
   id(24)=312,   jd(24)=313,  dobsl(24)= -0.1, dobsu(24)= -0.1, gigj(24)= 7.84665, dij(24)= 1.09, dwt(24)=1.00000, 
   id(25)=485,   jd(25)=486,  dobsl(25)= 13.2, dobsu(25)= 13.2, gigj(25)= 7.84665, dij(25)= 1.09, dwt(25)=1.00000, 
   id(26)=331,   jd(26)=332,  dobsl(26)= 3.0, dobsu(26)= 3.0, gigj(26)= 7.84665, dij(26)= 1.09, dwt(26)=1.00000, 
   id(27)=340,   jd(27)=341,  dobsl(27)= 9.1, dobsu(27)= 9.1, gigj(27)= 7.84665, dij(27)= 1.09, dwt(27)=1.00000, 
   id(28)=357,   jd(28)=358,  dobsl(28)= 0.5, dobsu(28)= 0.5, gigj(28)= 7.84665, dij(28)= 1.09, dwt(28)=1.00000, 
   id(29)=344,   jd(29)=345,  dobsl(29)= 0.2, dobsu(29)= 0.2, gigj(29)= 7.84665, dij(29)= 1.09, dwt(29)=1.00000,
   id(30)=518,   jd(30)=519,  dobsl(30)= -1.0, dobsu(30)= -1.0, gigj(30)= 7.84665, dij(30)= 1.09, dwt(30)=1.00000, 
   id(31)=363,   jd(31)=364,  dobsl(31)= 1.9, dobsu(31)= 5.9, gigj(31)= 7.84665, dij(31)= 1.09, dwt(31)=1.00000, 
   id(32)=360,   jd(32)=361,  dobsl(32)= 4.2, dobsu(32)= 4.2, gigj(32)= 7.84665, dij(32)= 1.09, dwt(32)=1.00000, 
   id(33)=458,   jd(33)=459,  dobsl(33)= 19.6, dobsu(33)= 19.6, gigj(33)= 7.84665, dij(33)= 1.09, dwt(33)=1.00000, 
   id(34)=455,   jd(34)=456,  dobsl(34)= 13.0, dobsu(34)= 19.0, gigj(34)= 7.84665, dij(34)= 1.09, dwt(34)=1.00000,










   /

  Entry H atom name         Submitted Coord H atom name
    1    H5'   DA   1          1H5*       DA   1  21.438  31.738   8.935
    2   H5''   DA   1          2H5*       DA   1  19.846  31.115   9.359
    3    H4'   DA   1           H4*       DA   1  21.174  29.239   8.832
    4    H3'   DA   1           H3*       DA   1  20.004  29.265  11.295
    5    H2'   DA   1          1H2*       DA   1  21.838  30.073  12.542
    6   H2''   DA   1          2H2*       DA   1  22.195  28.335  12.666
    7    H1'   DA   1           H1*       DA   1  23.785  28.378  10.988
    8    H8    DA   1           H8        DA   1  23.250  32.181  11.756
    9    H61   DA   1           2H6       DA   1  27.765  32.695  14.000
   10    H62   DA   1           1H6       DA   1  29.072  31.502  14.047
   11    H2    DA   1           H2        DA   1  27.731  27.672  12.720
   12   HO5'   DA   1          H5T        DA   1  21.049  32.854  10.731
   13    H5'   DT   2          1H5*       DT   2  23.074  25.947  10.571
   14   H5''   DT   2          2H5*       DT   2  22.175  24.441  10.582
   15    H4'   DT   2           H4*       DT   2  24.418  23.937  11.124
   16    H3'   DT   2           H3*       DT   2  22.477  23.118  12.953
   17    H2'   DT   2          1H2*       DT   2  22.893  24.816  14.496
   18   H2''   DT   2          2H2*       DT   2  24.021  23.572  15.095
   19    H1'   DT   2           H1*       DT   2  25.844  24.473  13.889
   20    H3    DT   2           H3        DT   2  27.461  27.939  16.313
   21    H71   DT   2           3H7       DT   2  22.982  29.673  16.469
   22    H72   DT   2           1H7       DT   2  23.474  30.322  14.901
   23    H73   DT   2           2H7       DT   2  22.279  29.002  14.991
   24    H6    DT   2           H6        DT   2  23.230  26.974  14.248
   25    H5'   DG   3          1H5*       DG   3  27.125  21.821  14.070
   26   H5''   DG   3          2H5*       DG   3  26.936  20.078  14.286
   27    H4'   DG   3           H4*       DG   3  28.586  20.703  15.812
   28    H3'   DG   3           H3*       DG   3  26.239  19.563  16.828
   29    H2'   DG   3          1H2*       DG   3  25.501  21.502  17.921
   30   H2''   DG   3          2H2*       DG   3  26.605  20.902  19.199
   31    H1'   DG   3           H1*       DG   3  28.404  22.270  18.466
   32    H8    DG   3           H8        DG   3  24.872  23.687  17.748
   33    H1    DG   3           H1        DG   3  29.101  27.705  20.490
   34    H21   DG   3           1H2       DG   3  30.976  26.662  20.805
   35    H22   DG   3           2H2       DG   3  31.235  25.036  20.199
   36    H5'   DG   4          1H5*       DG   4  30.286  19.718  19.507
   37   H5''   DG   4          2H5*       DG   4  30.377  18.230  20.457
   38    H4'   DG   4           H4*       DG   4  31.152  20.120  21.793
   39    H3'   DG   4           H3*       DG   4  29.229  18.337  22.774
   40    H2'   DG   4          1H2*       DG   4  27.479  19.889  22.428
   41   H2''   DG   4          2H2*       DG   4  27.957  20.304  24.111
   42    H1'   DG   4           H1*       DG   4  29.439  21.987  23.438
   43    H8    DG   4           H8        DG   4  26.386  21.338  21.434
   44    H1    DG   4           H1        DG   4  27.333  27.443  23.303
   45    H21   DG   4           1H2       DG   4  29.420  27.602  24.003
   46    H22   DG   4           2H2       DG   4  30.486  26.202  23.939
   47    H5'   DA   5          1H5*       DA   5  32.527  21.116  24.201
   48   H5''   DA   5          2H5*       DA   5  33.950  20.223  24.703
   49    H4'   DA   5           H4*       DA   5  34.314  22.166  25.813
   50    H3'   DA   5           H3*       DA   5  33.455  20.222  27.578
   51    H2'   DA   5          1H2*       DA   5  31.276  20.861  27.862
   52   H2''   DA   5          2H2*       DA   5  31.983  21.976  29.062
   53    H1'   DA   5           H1*       DA   5  31.832  23.797  27.708
   54    H8    DA   5           H8        DA   5  29.648  20.928  26.198
   55    H61   DA   5           2H6       DA   5  25.623  23.822  25.384
   56    H62   DA   5           1H6       DA   5  25.441  25.552  25.699
   57    H2    DA   5           H2        DA   5  29.025  27.264  27.230
   58    H5'   DG   6          1H5*       DG   6  34.243  24.062  29.786
   59   H5''   DG   6          2H5*       DG   6  34.934  23.876  31.403
   60    H4'   DG   6           H4*       DG   6  33.084  25.402  31.473
   61    H3'   DG   6           H3*       DG   6  33.113  23.058  33.122
   62    H2'   DG   6          1H2*       DG   6  31.213  22.158  32.077
   63   H2''   DG   6          2H2*       DG   6  30.404  23.213  33.278
   64    H1'   DG   6           H1*       DG   6  30.280  25.012  31.750
   65    H8    DG   6           H8        DG   6  29.981  21.408  30.324
   66    H1    DG   6           H1        DG   6  25.167  25.483  28.993
   67    H21   DG   6           1H2       DG   6  25.738  27.483  29.831
   68    H22   DG   6           2H2       DG   6  27.394  27.724  30.432
   69    H5'   DC   7          1H5*       DC   7  31.755  27.360  34.295
   70   H5''   DC   7          2H5*       DC   7  31.665  27.680  36.036
   71    H4'   DC   7           H4*       DC   7  29.996  28.952  34.786
   72    H3'   DC   7           H3*       DC   7  29.165  26.921  36.787
   73    H2'   DC   7          1H2*       DC   7  26.961  26.876  36.102
   74   H2''   DC   7          2H2*       DC   7  26.975  28.580  35.635
   75    H1'   DC   7           H1*       DC   7  27.219  28.055  33.513
   76    H41   DC   7           1H4       DC   7  24.964  22.463  31.860
   77    H42   DC   7           2H4       DC   7  26.445  21.643  32.409
   78    H5    DC   7           H5        DC   7  28.173  22.726  33.601
   79    H6    DC   7           H6        DC   7  28.981  24.910  34.396
   80    H5'   DT   8          1H5*       DT   8  26.601  30.378  36.762
   81   H5''   DT   8          2H5*       DT   8  26.380  31.093  38.360
   82    H4'   DT   8           H4*       DT   8  24.201  30.697  37.180
   83    H3'   DT   8           H3*       DT   8  24.788  30.114  39.863
   84    H2'   DT   8          1H2*       DT   8  24.745  27.716  39.580
   85   H2''   DT   8          2H2*       DT   8  22.993  28.026  39.811
   86    H1'   DT   8           H1*       DT   8  22.549  28.193  37.567
   87    H3    DT   8           H3        DT   8  22.496  24.126  35.536
   88    H71   DT   8           3H7       DT   8  27.252  23.894  36.581
   89    H72   DT   8           1H7       DT   8  27.239  24.707  38.174
   90    H73   DT   8           2H7       DT   8  26.541  23.090  37.977
   91    H6    DT   8           H6        DT   8  25.781  26.472  38.176
   92    H5'   DC   9          1H5*       DC   9  20.244  29.548  39.234
   93   H5''   DC   9          2H5*       DC   9  19.326  30.250  40.561
   94    H4'   DC   9           H4*       DC   9  18.597  28.020  40.367
   95    H3'   DC   9           H3*       DC   9  19.823  28.710  42.814
   96   HO3'   DC   9          H3T        DC   9  18.740  26.575  43.444
   97    H2'   DC   9          1H2*       DC   9  21.778  27.575  42.198
   98   H2''   DC   9          2H2*       DC   9  20.998  26.269  43.117
   99    H1'   DC   9           H1*       DC   9  19.866  25.466  41.026
  100    H41   DC   9           1H4       DC   9  24.225  21.729  39.065
  101    H42   DC   9           2H4       DC   9  25.377  22.312  40.266
  102    H5    DC   9           H5        DC   9  24.991  24.416  41.406
  103    H6    DC   9           H6        DC   9  23.300  26.204  41.812
  104    H5'   DG  10          1H5*       DG  10  19.927  13.849  36.239
  105   H5''   DG  10          2H5*       DG  10  19.735  13.178  34.629
  106    H4'   DG  10           H4*       DG  10  18.002  14.812  35.163
  107    H3'   DG  10           H3*       DG  10  19.229  14.760  32.738
  108    H2'   DG  10          1H2*       DG  10  20.782  16.495  33.039
  109   H2''   DG  10          2H2*       DG  10  19.422  17.512  32.551
  110    H1'   DG  10           H1*       DG  10  18.881  18.133  34.738
  111    H8    DG  10           H8        DG  10  22.482  16.567  34.610
  112    H1    DG  10           H1        DG  10  21.986  21.922  38.147
  113    H21   DG  10           1H2       DG  10  19.922  22.637  38.123
  114    H22   DG  10           2H2       DG  10  18.645  21.691  37.357
  115   HO5'   DG  10          H5T        DG  10  21.517  14.291  33.909
  116    H5'   DA  11          1H5*       DA  11  15.673  17.989  33.485
  117   H5''   DA  11          2H5*       DA  11  14.618  17.752  32.097
  118    H4'   DA  11           H4*       DA  11  14.287  19.933  32.877
  119    H3'   DA  11           H3*       DA  11  14.918  19.584  30.228
  120    H2'   DA  11          1H2*       DA  11  17.137  20.041  30.390
  121   H2''   DA  11          2H2*       DA  11  16.616  21.674  30.077
  122    H1'   DA  11           H1*       DA  11  16.665  22.359  32.320
  123    H8    DA  11           H8        DA  11  18.786  19.368  31.322
  124    H61   DA  11           2H6       DA  11  23.014  20.838  33.480
  125    H62   DA  11           1H6       DA  11  23.345  22.189  34.556
  126    H2    DA  11           H2        DA  11  19.746  24.598  34.916
  127    H5'   DG  12          1H5*       DG  12  14.357  24.135  31.422
  128   H5''   DG  12          2H5*       DG  12  13.614  25.095  30.137
  129    H4'   DG  12           H4*       DG  12  15.569  26.251  31.074
  130    H3'   DG  12           H3*       DG  12  15.368  25.797  28.276
  131    H2'   DG  12          1H2*       DG  12  17.420  24.760  28.125
  132   H2''   DG  12          2H2*       DG  12  18.096  26.398  28.341
  133    H1'   DG  12           H1*       DG  12  18.321  26.084  30.755
  134    H8    DG  12           H8        DG  12  18.404  22.687  28.831
  135    H1    DG  12           H1        DG  12  23.756  24.496  31.968
  136    H21   DG  12           1H2       DG  12  23.394  26.454  32.911
  137    H22   DG  12           2H2       DG  12  21.749  27.094  33.013
  138    H5'   DC  13          1H5*       DC  13  17.549  29.302  30.572
  139   H5''   DC  13          2H5*       DC  13  17.440  30.801  29.665
  140    H4'   DC  13           H4*       DC  13  19.453  30.872  30.903
  141    H3'   DC  13           H3*       DC  13  19.883  30.354  27.978
  142    H2'   DC  13          1H2*       DC  13  22.173  30.123  28.276
  143   H2''   DC  13          2H2*       DC  13  22.167  31.072  29.783
  144    H1'   DC  13           H1*       DC  13  22.120  29.120  30.935
  145    H41   DC  13           1H4       DC  13  23.856  24.146  27.635
  146    H42   DC  13           2H4       DC  13  22.317  24.014  26.768
  147    H5    DC  13           H5        DC  13  20.513  25.587  27.161
  148    H6    DC  13           H6        DC  13  19.878  27.604  28.426
  149    H5'   DT  14          1H5*       DT  14  22.641  33.351  29.659
  150   H5''   DT  14          2H5*       DT  14  22.520  34.819  28.694
  151    H4'   DT  14           H4*       DT  14  24.808  34.401  29.353
  152    H3'   DT  14           H3*       DT  14  23.975  35.016  26.760
  153    H2'   DT  14          1H2*       DT  14  24.434  33.068  25.703
  154   H2''   DT  14          2H2*       DT  14  26.115  33.587  25.741
  155    H1'   DT  14           H1*       DT  14  26.709  32.277  27.483
  156    H3    DT  14           H3        DT  14  26.530  27.791  26.621
  157    H71   DT  14           3H7       DT  14  22.397  28.781  24.299
  158    H72   DT  14           1H7       DT  14  21.701  30.000  25.390
  159    H73   DT  14           2H7       DT  14  21.809  28.301  25.897
  160    H6    DT  14           H6        DT  14  23.309  31.373  26.289
  161    H5'   DC  15          1H5*       DC  15  28.340  34.881  27.847
  162   H5''   DC  15          2H5*       DC  15  29.466  35.979  27.048
  163    H4'   DC  15           H4*       DC  15  30.286  33.654  27.424
  164    H3'   DC  15           H3*       DC  15  30.541  35.098  24.956
  165    H2'   DC  15          1H2*       DC  15  29.653  33.480  23.600
  166   H2''   DC  15          2H2*       DC  15  31.146  32.557  23.924
  167    H1'   DC  15           H1*       DC  15  30.189  31.313  25.655
  168    H41   DC  15           1H4       DC  15  25.442  28.349  22.630
  169    H42   DC  15           2H4       DC  15  24.616  29.878  22.332
  170    H5    DC  15           H5        DC  15  25.479  31.980  22.987
  171    H6    DC  15           H6        DC  15  27.356  33.135  24.053
  172    H5'   DC  16          1H5*       DC  16  33.593  31.590  25.660
  173   H5''   DC  16          2H5*       DC  16  35.216  32.241  25.414
  174    H4'   DC  16           H4*       DC  16  35.119  29.982  24.513
  175    H3'   DC  16           H3*       DC  16  36.040  32.106  22.968
  176    H2'   DC  16          1H2*       DC  16  34.187  32.236  21.570
  177   H2''   DC  16          2H2*       DC  16  35.042  30.952  20.690
  178    H1'   DC  16           H1*       DC  16  33.894  29.233  21.700
  179    H41   DC  16           1H4       DC  16  27.783  29.659  20.263
  180    H42   DC  16           2H4       DC  16  27.788  31.422  20.273
  181    H5    DC  16           H5        DC  16  29.795  32.694  20.791
  182    H6    DC  16           H6        DC  16  32.148  32.504  21.471
  183    H5'   DA  17          1H5*       DA  17  35.952  27.822  21.351
  184   H5''   DA  17          2H5*       DA  17  37.513  27.355  20.646
  185    H4'   DA  17           H4*       DA  17  35.842  26.421  19.163
  186    H3'   DA  17           H3*       DA  17  37.430  28.635  18.107
  187    H2'   DA  17          1H2*       DA  17  35.655  29.651  17.260
  188   H2''   DA  17          2H2*       DA  17  35.581  28.264  16.157
  189    H1'   DA  17           H1*       DA  17  33.945  27.241  17.246
  190    H8    DA  17           H8        DA  17  34.032  30.812  17.913
  191    H61   DA  17           2H6       DA  17  29.088  31.577  17.064
  192    H62   DA  17           1H6       DA  17  27.842  30.352  16.807
  193    H2    DA  17           H2        DA  17  29.372  26.472  17.049
  194    H5'   DT  18          1H5*       DT  18  35.153  24.976  17.161
  195   H5''   DT  18          2H5*       DT  18  35.924  23.828  16.060
  196    H4'   DT  18           H4*       DT  18  33.467  23.637  16.027
  197    H3'   DT  18           H3*       DT  18  35.081  23.612  13.829
  198   HO3'   DT  18          H3T        DT  18  33.468  22.537  12.864
  199    H2'   DT  18          1H2*       DT  18  34.595  25.944  13.215
  200   H2''   DT  18          2H2*       DT  18  33.299  25.119  12.277
  201    H1'   DT  18           H1*       DT  18  31.746  25.287  14.193
  202    H3    DT  18           H3        DT  18  29.649  29.127  13.681
  203    H71   DT  18           3H7       DT  18  34.943  30.340  14.070
  204    H72   DT  18           1H7       DT  18  33.780  31.294  13.161
  205    H73   DT  18           2H7       DT  18  33.773  31.392  14.911
  206    H6    DT  18           H6        DT  18  34.314  28.047  14.220