*HEADER    DNA                                     23-JUL-15   2N5O              
*TITLE     UNIVERSAL BASE OLIGONUCLEOTIDE STRUCTURE                              
*COMPND    MOL_ID: 1;                                                            
*COMPND   2 MOLECULE: DNA_(5'-D(*AP*TP*GP*GP*(4EN)P*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 2N5O    0                                                


#Universal base sequence
# 5?-ATGG(UB)GCTC-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 = 1.060, r2 = 3.060, r3 = 4.140, r4 = 6.140,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number   2
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.220, r2 = 2.220, r3 = 2.510, r4 = 4.510,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number   3
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.040, r2 = 2.040, r3 = 2.160, r4 = 4.160,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   4
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 1.200, r2 = 3.200, r3 = 5.300, r4 = 7.300,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   5
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.660, r2 = 3.660, r3 = 4.520, r4 = 6.520,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   6
 &rst  iat =  3,  2, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 1.040, r2 = 3.040, r3 = 3.280, r4 = 5.280,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   7
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.350, r2 = 3.350, r3 = 4.010, r4 = 6.010,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number   8
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.630, r2 = 3.630, r3 = 4.780, r4 = 6.780,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number   9
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.860, r2 = 3.860, r3 = 5.060, r4 = 7.060,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  10
 &rst  iat =  4,  3, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.210, r2 = 3.210, r3 = 3.560, r4 = 5.560,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  11
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.070, r2 = 3.070, r3 = 3.690, r4 = 5.690,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  12
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.550, r2 = 2.550, r3 = 3.650, r4 = 5.650,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  13
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.090, r2 = 2.090, r3 = 2.430, r4 = 4.430,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  14
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 2.390, r2 = 4.390, r3 = 5.260, r4 = 7.260,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  15
 &rst  iat =  5,  4, iresid = 1, atnam(1)='H7',atnam(2)='H1''',
       r1 = 1.850, r2 = 3.850, r3 = 4.950, r4 = 6.950,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  16
 &rst  iat =  6,  5, iresid = 1, atnam(1)='H4''',atnam(2)='H7',
       r1 = 1.660, r2 = 3.660, r3 = 4.970, r4 = 6.970,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  17
 &rst  iat =  6,  5, iresid = 1, atnam(1)='H1''',atnam(2)='H7',
       r1 = 1.340, r2 = 3.340, r3 = 3.650, r4 = 5.650,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  18
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 0.720, r2 = 2.720, r3 = 2.990, r4 = 4.990,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  19
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.320, r2 = 3.320, r3 = 4.020, r4 = 6.020,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  20
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
       r1 = 1.610, r2 = 3.610, r3 = 4.990, r4 = 6.990,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  21
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.420, r2 = 2.420, r3 = 3.200, r4 = 5.200,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  22
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''',
       r1 = 1.470, r2 = 3.470, r3 = 4.340, r4 = 6.340,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  23
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.110, r2 = 2.110, r3 = 2.540, r4 = 4.540,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  24
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 0.880, r2 = 2.880, r3 = 3.650, r4 = 5.650,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  25
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 0.850, r2 = 2.850, r3 = 3.180, r4 = 5.180,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  26
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 0.390, r2 = 2.390, r3 = 2.550, r4 = 4.550,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  27
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 1.340, r2 = 3.340, r3 = 3.610, r4 = 5.610,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  28
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
       r1 = 1.010, r2 = 3.010, r3 = 3.370, r4 = 5.370,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  29
 &rst  iat =  7,  6, iresid = 1, atnam(1)='H5',atnam(2)='H2''2',
       r1 = 0.960, r2 = 2.960, r3 = 3.520, r4 = 5.520,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  30
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.000, r2 = 3.000, r3 = 3.320, r4 = 5.320,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  31
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.220, r2 = 2.220, r3 = 2.380, r4 = 4.380,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  32
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 2.170, r2 = 4.170, r3 = 5.330, r4 = 7.330,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  33
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.210, r2 = 2.210, r3 = 2.570, r4 = 4.570,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  34
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.700, r2 = 2.700, r3 = 3.800, r4 = 5.800,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  35
 &rst  iat =  8,  7, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 1.390, r2 = 3.390, r3 = 4.290, r4 = 6.290,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  36
 &rst  iat =  8,  7, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 0.500, r2 = 2.500, r3 = 2.910, r4 = 4.910,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  37
 &rst  iat = -1 , 208,ir6=1,
       igr1 = 241, 242, 243,
       r1 = 1.490, r2 = 3.490, r3 = 3.730, r4 = 5.730,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  38
 &rst  iat = -1 , 210,
       igr1 = 241, 242, 243,
       r1 = 1.870, r2 = 3.870, r3 = 4.110, r4 = 6.110,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  39
 &rst  iat = -1 , 219,
       igr1 = 241, 242, 243,
       r1 = 1.430, r2 = 3.430, r3 = 3.590, r4 = 5.590,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  40
 &rst  iat = -1 , 221,
       igr1 = 241, 242, 243,
       r1 = 1.480, r2 = 3.480, r3 = 4.470, r4 = 6.470,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  41
 &rst  iat = -1 , 222,
       igr1 = 241, 242, 243,
       r1 = 1.560, r2 = 3.560, r3 = 4.820, r4 = 6.820,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  42
 &rst  iat =  9,  8, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.540, r2 = 3.540, r3 = 3.930, r4 = 5.930,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  43
 &rst  iat = 272, -1 ,
       igr2 = 241, 242, 243,
       r1 = 2.300, r2 = 4.300, r3 = 4.870, r4 = 6.870,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  44
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.660, r2 = 2.660, r3 = 2.800, r4 = 4.800,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  45
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 1.660, r2 = 3.660, r3 = 5.440, r4 = 7.440,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  46
 &rst  iat = 11, 10, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.610, r2 = 3.610, r3 = 4.580, r4 = 6.580,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  47
 &rst  iat = 11, 10, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 0.570, r2 = 2.570, r3 = 2.880, r4 = 4.880,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  48
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.110, r2 = 3.110, r3 = 3.770, r4 = 5.770,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  49
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.350, r2 = 3.350, r3 = 4.310, r4 = 6.310,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  50
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.310, r2 = 3.310, r3 = 5.120, r4 = 7.120,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  51
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.790, r2 = 2.790, r3 = 4.090, r4 = 6.090,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  52
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.010, r2 = 2.010, r3 = 2.290, r4 = 4.290,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  53
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.090, r2 = 2.090, r3 = 2.420, r4 = 4.420,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  54
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.130, r2 = 2.130, r3 = 2.410, r4 = 4.410,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  55
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 1.060, r2 = 3.060, r3 = 4.480, r4 = 6.480,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  56
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.270, r2 = 2.270, r3 = 3.070, r4 = 5.070,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  57
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.240, r2 = 3.240, r3 = 3.580, r4 = 5.580,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  58
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H3''',
       r1 = 1.930, r2 = 3.930, r3 = 4.960, r4 = 6.960,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  59
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.170, r2 = 3.170, r3 = 3.820, r4 = 5.820,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  60
 &rst  iat = 12, 11, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 0.740, r2 = 2.740, r3 = 2.900, r4 = 4.900,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  61
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.300, r2 = 3.300, r3 = 3.930, r4 = 5.930,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  62
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.440, r2 = 2.440, r3 = 3.230, r4 = 5.230,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  63
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.150, r2 = 2.150, r3 = 2.620, r4 = 4.620,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  64
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.050, r2 = 3.050, r3 = 3.640, r4 = 5.640,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  65
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H5',atnam(2)='H8',
       r1 = 1.530, r2 = 3.530, r3 = 3.810, r4 = 5.810,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  66
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
       r1 = 1.170, r2 = 3.170, r3 = 3.660, r4 = 5.660,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  67
 &rst  iat = 13, 12, iresid = 1, atnam(1)='H5',atnam(2)='H2''2',
       r1 = 1.000, r2 = 3.000, r3 = 3.540, r4 = 5.540,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  68
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.170, r2 = 2.170, r3 = 2.320, r4 = 4.320,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  69
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 2.120, r2 = 4.120, r3 = 4.940, r4 = 6.940,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  70
 &rst  iat = 14, 13, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 0.840, r2 = 2.840, r3 = 3.590, r4 = 5.590,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  71
 &rst  iat = -1 , 397,
       igr1 = 430, 431, 432,
       r1 = 1.730, r2 = 3.730, r3 = 4.150, r4 = 6.150,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  72
 &rst  iat = -1 , 399,
       igr1 = 430, 431, 432,
       r1 = 1.960, r2 = 3.960, r3 = 4.230, r4 = 6.230,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  73
 &rst  iat = -1 , 410,
       igr1 = 430, 431, 432,
       r1 = 1.660, r2 = 3.660, r3 = 4.210, r4 = 6.210,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  74
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 0.890, r2 = 2.890, r3 = 3.660, r4 = 5.660,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  75
 &rst  iat = 16, 15, iresid = 1, atnam(1)='H6',atnam(2)='H2''1',
       r1 = 0.910, r2 = 2.910, r3 = 3.470, r4 = 5.470,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  76
 &rst  iat = 16, 15, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 0.600, r2 = 2.600, r3 = 2.890, r4 = 4.890,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  77
 &rst  iat = 16, 15, iresid = 1, atnam(1)='H5',atnam(2)='H6',
       r1 = 1.230, r2 = 3.230, r3 = 3.820, r4 = 5.820,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  78
 &rst  iat = 16, 15, iresid = 1, atnam(1)='H5',atnam(2)='H2''1',
       r1 = 1.350, r2 = 3.350, r3 = 4.130, r4 = 6.130,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  79
 &rst  iat = 16, 15, iresid = 1, atnam(1)='H5',atnam(2)='H2''2',
       r1 = 1.010, r2 = 3.010, r3 = 3.570, r4 = 5.570,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  80
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.000, r2 = 1.970, r3 = 2.150, r4 = 4.150,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  81
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 2.570, r2 = 4.570, r3 = 5.570, r4 = 7.570,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  82
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 1.210, r2 = 3.210, r3 = 4.470, r4 = 6.470,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  83
 &rst  iat = 17, 16, iresid = 1, atnam(1)='H8',atnam(2)='H2''1',
       r1 = 1.300, r2 = 3.300, r3 = 3.950, r4 = 5.950,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  84
 &rst  iat = 17, 16, iresid = 1, atnam(1)='H8',atnam(2)='H2''2',
       r1 = 1.030, r2 = 3.030, r3 = 3.290, r4 = 5.290,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  85
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H8',atnam(2)='H1''',
       r1 = 1.020, r2 = 3.020, r3 = 3.550, r4 = 5.550,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  86
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.490, r2 = 3.490, r3 = 4.740, r4 = 6.740,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  87
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H3''',atnam(2)='H8',
       r1 = 1.580, r2 = 3.580, r3 = 4.610, r4 = 6.610,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  88
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H1''',
       r1 = 0.530, r2 = 2.530, r3 = 3.430, r4 = 5.430,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  89
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H8',
       r1 = 0.090, r2 = 2.090, r3 = 2.380, r4 = 4.380,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  90
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''1',atnam(2)='H3''',
       r1 = 0.230, r2 = 2.230, r3 = 2.600, r4 = 4.600,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  91
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.160, r2 = 2.160, r3 = 2.600, r4 = 4.600,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  92
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 0.890, r2 = 2.890, r3 = 4.350, r4 = 6.350,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  93
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H2''2',atnam(2)='H3''',
       r1 = 0.560, r2 = 2.560, r3 = 3.700, r4 = 5.700,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number  94
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H1''',
       r1 = 1.220, r2 = 3.220, r3 = 3.810, r4 = 5.810,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  95
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H3''',
       r1 = 1.900, r2 = 3.900, r3 = 4.880, r4 = 6.880,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  96
 &rst  iat = 18, 17, iresid = 1, atnam(1)='H6',atnam(2)='H2''2',
       r1 = 0.640, r2 = 2.640, r3 = 2.910, r4 = 4.910,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  97
 &rst  iat = -1 , 516,
       igr1 = 554, 555, 556,
       r1 = 3.110, r2 = 5.110, r3 = 6.300, r4 = 8.300,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  98
 &rst  iat = -1 , 519,
       igr1 = 554, 555, 556,
       r1 = 1.630, r2 = 3.630, r3 = 3.800, r4 = 5.800,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number  99
 &rst  iat = -1 , 532,
       igr1 = 554, 555, 556,
       r1 = 2.670, r2 = 4.670, r3 = 5.320, r4 = 7.320,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 100
 &rst  iat = -1 , 534,
       igr1 = 554, 555, 556,
       r1 = 1.730, r2 = 3.730, r3 = 4.440, r4 = 6.440,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 101
 &rst  iat = -1 , 535,
       igr1 = 554, 555, 556,
       r1 = 2.010, r2 = 4.010, r3 = 5.110, r4 = 7.110,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 102
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.130, r2 = 3.130, r3 = 3.480, r4 = 5.480,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 103
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.020, r2 = 3.020, r3 = 3.930, r4 = 5.930,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 104
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2',
       r1 = 1.880, r2 = 3.880, r3 = 5.140, r4 = 7.140,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 105
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.950, r2 = 3.950, r3 = 4.600, r4 = 6.600,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 106
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H3''',atnam(2)='H2''1',
       r1 = 0.290, r2 = 2.290, r3 = 2.520, r4 = 4.520,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 107
 &rst  iat =  1,  1, iresid = 1, atnam(1)='H3''',atnam(2)='H2''2',
       r1 = 0.830, r2 = 2.830, r3 = 3.970, r4 = 5.970,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 108
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.080, r2 = 3.080, r3 = 3.560, r4 = 5.560,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 109
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 0.870, r2 = 2.870, r3 = 3.980, r4 = 5.980,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 110
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
       r1 = 0.220, r2 = 2.220, r3 = 2.550, r4 = 4.550,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 111
 &rst  iat =  2,  3, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.520, r2 = 3.520, r3 = 4.010, r4 = 6.010,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 112
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.830, r2 = 2.830, r3 = 3.080, r4 = 5.080,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 113
 &rst  iat =  3,  3, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.400, r2 = 2.400, r3 = 2.710, r4 = 4.710,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 114
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.750, r2 = 2.750, r3 = 3.030, r4 = 5.030,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 115
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.900, r2 = 3.900, r3 = 4.790, r4 = 6.790,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 116
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.670, r2 = 3.670, r3 = 4.810, r4 = 6.810,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 117
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2',
       r1 = 1.340, r2 = 3.340, r3 = 4.150, r4 = 6.150,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 118
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.450, r2 = 3.450, r3 = 4.790, r4 = 6.790,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 119
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H3''',atnam(2)='H2''2',
       r1 = 0.580, r2 = 2.580, r3 = 3.160, r4 = 5.160,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 120
 &rst  iat =  4,  4, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
       r1 = 0.400, r2 = 2.400, r3 = 2.680, r4 = 4.680,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 121
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H4''',atnam(2)='H7',
       r1 = 2.040, r2 = 4.040, r3 = 5.490, r4 = 7.490,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 122
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 2.700, r2 = 4.700, r3 = 6.010, r4 = 8.010,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 123
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H2''2',atnam(2)='H7',
       r1 = 1.660, r2 = 3.660, r3 = 5.000, r4 = 7.000,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 124
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H2''2',atnam(2)='H8',
       r1 = 0.580, r2 = 2.580, r3 = 2.710, r4 = 4.710,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 125
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H1''',atnam(2)='H7',
       r1 = 0.040, r2 = 2.040, r3 = 2.190, r4 = 4.190,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 126
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 1.180, r2 = 3.180, r3 = 4.030, r4 = 6.030,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 127
 &rst  iat =  5,  6, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.470, r2 = 3.470, r3 = 4.140, r4 = 6.140,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 128
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H1''',atnam(2)='H4''',
       r1 = 0.640, r2 = 2.640, r3 = 2.990, r4 = 4.990,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 129
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
       r1 = 0.190, r2 = 2.190, r3 = 2.550, r4 = 4.550,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 130
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.120, r2 = 3.120, r3 = 3.740, r4 = 5.740,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 131
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 1.330, r2 = 3.330, r3 = 4.480, r4 = 6.480,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 132
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 0.850, r2 = 2.850, r3 = 4.060, r4 = 6.060,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 133
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
       r1 = 0.000, r2 = 1.990, r3 = 2.260, r4 = 4.260,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 134
 &rst  iat =  7,  8, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.970, r2 = 3.970, r3 = 5.330, r4 = 7.330,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 135
 &rst  iat = 205, -1 ,
       igr2 = 241, 242, 243,
       r1 = 2.550, r2 = 4.550, r3 = 5.980, r4 = 7.980,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 136
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.220, r2 = 3.220, r3 = 3.820, r4 = 5.820,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 137
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
       r1 = 0.020, r2 = 2.020, r3 = 2.320, r4 = 4.320,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 138
 &rst  iat =  8,  9, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.620, r2 = 3.620, r3 = 4.570, r4 = 6.570,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 139
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 0.000, r2 = 1.870, r3 = 2.140, r4 = 4.140,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 140
 &rst  iat =  8,  9, iresid = 1, atnam(1)='H2''1',atnam(2)='H6',
       r1 = 1.030, r2 = 3.030, r3 = 4.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 141
 &rst  iat =  8,  9, iresid = 1, atnam(1)='H2''1',atnam(2)='H5',
       r1 = 1.300, r2 = 3.300, r3 = 3.740, r4 = 5.740,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 142
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.360, r2 = 3.360, r3 = 3.670, r4 = 5.670,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 143
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H1''',atnam(2)='H3''',
       r1 = 1.850, r2 = 3.850, r3 = 4.970, r4 = 6.970,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 144
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.670, r2 = 3.670, r3 = 4.140, r4 = 6.140,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 145
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 0.940, r2 = 2.940, r3 = 4.290, r4 = 6.290,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 146
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
       r1 = 0.280, r2 = 2.280, r3 = 2.580, r4 = 4.580,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 147
 &rst  iat = 10, 11, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.230, r2 = 3.230, r3 = 3.590, r4 = 5.590,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 148
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.710, r2 = 2.710, r3 = 3.030, r4 = 5.030,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 149
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.780, r2 = 3.780, r3 = 4.990, r4 = 6.990,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 150
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.370, r2 = 2.370, r3 = 2.610, r4 = 4.610,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 151
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 2.000, r2 = 4.000, r3 = 5.030, r4 = 7.030,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 152
 &rst  iat = 11, 11, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2',
       r1 = 1.410, r2 = 3.410, r3 = 4.660, r4 = 6.660,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 153
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.670, r2 = 2.670, r3 = 2.930, r4 = 4.930,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 154
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 2.190, r2 = 4.190, r3 = 4.880, r4 = 6.880,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 155
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2',
       r1 = 1.370, r2 = 3.370, r3 = 4.260, r4 = 6.260,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 156
 &rst  iat = 12, 12, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.420, r2 = 3.420, r3 = 4.590, r4 = 6.590,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 157
 &rst  iat = 12, 13, iresid = 1, atnam(1)='H3''',atnam(2)='H6',
       r1 = 1.850, r2 = 3.850, r3 = 4.680, r4 = 6.680,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 158
 &rst  iat = 12, 13, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.700, r2 = 3.700, r3 = 4.920, r4 = 6.920,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 159
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.320, r2 = 3.320, r3 = 3.990, r4 = 5.990,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 160
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 0.920, r2 = 2.920, r3 = 3.640, r4 = 5.640,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 161
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.840, r2 = 3.840, r3 = 5.310, r4 = 7.310,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 162
 &rst  iat = 394, -1 ,
       igr2 = 430, 431, 432,
       r1 = 2.810, r2 = 4.810, r3 = 5.940, r4 = 7.940,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 163
 &rst  iat = 13, 14, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 0.580, r2 = 2.580, r3 = 2.750, r4 = 4.750,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 164
 &rst  iat = 411, -1 ,
       igr2 = 430, 431, 432,
       r1 = 2.050, r2 = 4.050, r3 = 4.980, r4 = 6.980,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 165
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H2''2',atnam(2)='H1''',
       r1 = 0.090, r2 = 2.090, r3 = 2.470, r4 = 4.470,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 166
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H4''',atnam(2)='H6',
       r1 = 1.840, r2 = 3.840, r3 = 4.690, r4 = 6.690,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 167
 &rst  iat = 14, 15, iresid = 1, atnam(1)='H2''2',atnam(2)='H6',
       r1 = 0.810, r2 = 2.810, r3 = 3.060, r4 = 5.060,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 168
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H2''2',atnam(2)='H4''',
       r1 = 2.350, r2 = 4.350, r3 = 5.220, r4 = 7.220,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 169
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.250, r2 = 3.250, r3 = 3.800, r4 = 5.800,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 170
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 0.760, r2 = 2.760, r3 = 3.550, r4 = 5.550,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 171
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
       r1 = 0.150, r2 = 2.150, r3 = 2.500, r4 = 4.500,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 172
 &rst  iat = 15, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.410, r2 = 3.410, r3 = 4.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 173
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.200, r2 = 3.200, r3 = 3.650, r4 = 5.650,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 174
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H2''1',
       r1 = 1.090, r2 = 3.090, r3 = 4.280, r4 = 6.280,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 175
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H1''',atnam(2)='H2''2',
       r1 = 0.190, r2 = 2.190, r3 = 2.480, r4 = 4.480,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 176
 &rst  iat = 16, 17, iresid = 1, atnam(1)='H1''',atnam(2)='H8',
       r1 = 1.530, r2 = 3.530, r3 = 3.780, r4 = 5.780,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 177
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.840, r2 = 2.840, r3 = 3.130, r4 = 5.130,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 178
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H8',
       r1 = 1.940, r2 = 3.940, r3 = 4.810, r4 = 6.810,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 179
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H3''',
       r1 = 0.550, r2 = 2.550, r3 = 2.820, r4 = 4.820,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 180
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.870, r2 = 3.870, r3 = 5.130, r4 = 7.130,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 181
 &rst  iat = 17, 17, iresid = 1, atnam(1)='H4''',atnam(2)='H2''2',
       r1 = 1.360, r2 = 3.360, r3 = 4.430, r4 = 6.430,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 182
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H1''',atnam(2)='H6',
       r1 = 1.180, r2 = 3.180, r3 = 3.360, r4 = 5.360,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 183
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H4''',
       r1 = 0.370, r2 = 2.370, r3 = 2.620, r4 = 4.620,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 184
 &rst  iat =  6,  6, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.550, r2 = 3.550, r3 = 4.680, r4 = 6.680,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 185
 &rst  iat =  6,  7, iresid = 1, atnam(1)='H3''',atnam(2)='H5',
       r1 = 1.960, r2 = 3.960, r3 = 5.140, r4 = 7.140,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 186
 &rst  iat = 14, 14, iresid = 1, atnam(1)='H2''1',atnam(2)='H4''',
       r1 = 1.420, r2 = 3.420, r3 = 4.450, r4 = 6.450,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 187
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H2''2',
       r1 = 0.670, r2 = 2.670, r3 = 3.220, r4 = 5.220,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 188
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.700, r2 = 3.700, r3 = 4.610, r4 = 6.610,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 189
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.910, r2 = 3.910, r3 = 4.850, r4 = 6.850,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 190
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.730, r2 = 2.730, r3 = 2.980, r4 = 4.980,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 191
 &rst  iat =  2,  2, iresid = 1, atnam(1)='H3''',atnam(2)='H2''1',
       r1 = 0.790, r2 = 2.790, r3 = 3.300, r4 = 5.300,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 192
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H3''',atnam(2)='H2''2',
       r1 = 0.760, r2 = 2.760, r3 = 3.240, r4 = 5.240,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 193
 &rst  iat =  5,  5, iresid = 1, atnam(1)='H3''',atnam(2)='H1''',
       r1 = 1.200, r2 = 3.200, r3 = 4.620, r4 = 6.620,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 194
 &rst  iat =  7,  7, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.650, r2 = 2.650, r3 = 3.010, r4 = 5.010,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 195
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.660, r2 = 2.660, r3 = 2.850, r4 = 4.850,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 196
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.410, r2 = 3.410, r3 = 4.390, r4 = 6.390,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 197
 &rst  iat =  8,  8, iresid = 1, atnam(1)='H3''',atnam(2)='H2''2',
       r1 = 0.850, r2 = 2.850, r3 = 4.560, r4 = 6.560,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 198
 &rst  iat =  9,  9, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.850, r2 = 2.850, r3 = 3.060, r4 = 5.060,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 199
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 1.050, r2 = 3.050, r3 = 3.300, r4 = 5.300,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 200
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H2''1',
       r1 = 0.220, r2 = 2.220, r3 = 2.580, r4 = 4.580,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 201
 &rst  iat = 10, 10, iresid = 1, atnam(1)='H3''',atnam(2)='H2''2',
       r1 = 0.740, r2 = 2.740, r3 = 3.740, r4 = 5.740,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 202
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H3''',atnam(2)='H2''1',
       r1 = 0.420, r2 = 2.420, r3 = 2.740, r4 = 4.740,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 203
 &rst  iat = 15, 15, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.690, r2 = 3.690, r3 = 4.690, r4 = 6.690,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 204
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.630, r2 = 3.630, r3 = 4.600, r4 = 6.600,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 205
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.790, r2 = 2.790, r3 = 3.070, r4 = 5.070,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 206
 &rst  iat = 16, 16, iresid = 1, atnam(1)='H3''',atnam(2)='H2''1',
       r1 = 0.690, r2 = 2.690, r3 = 3.240, r4 = 5.240,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 207
 &rst  iat = 17, 18, iresid = 1, atnam(1)='H2',atnam(2)='H1''',
       r1 = 2.030, r2 = 4.030, r3 = 4.420, r4 = 6.420,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 208
 &rst  iat = 18, 18, iresid = 1, atnam(1)='H4''',atnam(2)='H1''',
       r1 = 0.570, r2 = 2.570, r3 = 2.790, r4 = 4.790,
       rk2 =20.000, rk3 =20.000, &end
# distance constraint number 209
 &rst  iat = 566, -1 ,
       igr2 = 554, 555, 556,
       r1 = 2.730, r2 = 4.730, r3 = 5.730, r4 = 7.730,
       rk2 =30.000, rk3 =30.000, &end
# distance constraint number 210
 &rst  iat = 13, 13, iresid = 1, atnam(1)='H4''',atnam(2)='H2''1',
       r1 = 1.480, r2 = 3.480, r3 = 4.360, r4 = 6.360,
       rk2 =20.000, rk3 =20.000, &end








#UB 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


#UB Sequence
#qualitative water restraints
#using distances of 1 - 5 angstroms

#water restraint 1 A1H2-T18I
&rst  iat =  1,  18, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#water restraint 2 A1AmN-T18I
&rst  iat =  1,  18, iresid = 1, atnam(1)='H62',atnam(2)='H3',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 3 A1H2-T2I
&rst  iat =  1,  2, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 4 A11H2-G10I
&rst  iat =  11,  10, iresid = 1, atnam(1)='H2',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 5 A11H2-G12I
&rst  iat =  11,  12, iresid = 1, atnam(1)='H2',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 8 C15AMN-C16AMB
&rst  iat =  15,  16, iresid = 1, atnam(1)='H42',atnam(2)='H41',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 9 C16AMN-C15H6
&rst  iat =  16,  15, iresid = 1, atnam(1)='H42',atnam(2)='H6',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 10 A17H2-T2I
&rst  iat =  17,  2, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 11 A17AMB-T2I
&rst  iat =  17,  2, iresid = 1, atnam(1)='H61',atnam(2)='H3',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 12 A17AMN-T2I
&rst  iat =  17,  2, iresid = 1, atnam(1)='H62',atnam(2)='H3',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 13 T2I-G3I
&rst  iat =  2,  3, iresid = 1, atnam(1)='H3',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 14 C16H5-G3I
&rst  iat =  16,  3, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 15 C16AMB-G3I
&rst  iat =  16,  3, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 16 C16AMN-G3I
&rst  iat =  16,  3, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 17 A17H2-G3I
&rst  iat =  17,  3, iresid = 1, atnam(1)='H2',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 18 G3I-G4I
&rst  iat =  3,  4 iresid = 1, atnam(1)='H1',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 19 T14M7-G4I
 &rst  iat = -1 , 116,ir6=1,
       igr1 = 430, 431, 432,
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 21 C15H5-G4I
&rst  iat =  15,  4, iresid = 1, atnam(1)='H5',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 22 C15AMB-G4I
&rst  iat =  15,  4, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 23 C15AMN-G4I
&rst  iat =  15,  4, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 24 G4I-UB5H7 WEAK INCREASED UPPER TO 5.2
&rst  iat =  4,  5, iresid = 1, atnam(1)='H1',atnam(2)='H7',
       r1 = 0.800, r2 = 1.800, r3 = 5.200, r4 = 6.200,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 25 C13AMB-G6I
&rst  iat =  13,  6, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 26 C13AMN-G6I
&rst  iat =  13,  6, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 28 C7AMN-G6I
&rst  iat =  7,  6, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 29 C7AMB-G12I
&rst  iat =  7,  12, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 30 C7AMN-G12I
&rst  iat =  7,  12, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 31 C7AMB-T8I
&rst  iat =  7,  8, iresid = 1, atnam(1)='H41',atnam(2)='H3',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 32 T8I-G10I
&rst  iat =  8,  10, iresid = 1, atnam(1)='H3',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 33 A11H2-T8I
&rst  iat =  11,  8, iresid = 1, atnam(1)='H2',atnam(2)='H3',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 34 A11AMB-T8I
&rst  iat =  11,  8, iresid = 1, atnam(1)='H61',atnam(2)='H3',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 35 A11AMN-T8I
&rst  iat =  11,  8, iresid = 1, atnam(1)='H62',atnam(2)='H3',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 36 T8I-G12I
&rst  iat =  8,  12, iresid = 1, atnam(1)='H3',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 38 C9AMB-G10I
&rst  iat =  9,  10, iresid = 1, atnam(1)='H41',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       rk2 =30.000, rk3 =30.000, &end

#WATER RESTRAINT 39 C9AMN-G10I
&rst  iat =  9,  10, iresid = 1, atnam(1)='H42',atnam(2)='H1',
       r1 = 0.800, r2 = 1.800, r3 = 5.000, r4 = 6.000,
       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

 &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, /   


# 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

 &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, /


# BACKBONE TORSION ANGLE RESTRAINTS
# See below for CTNOESY epsilon restraints
# torsion angle constraint number   t gamma
 &rst  iat =  1,  1,  1,  1, iresid = 1,
       atnam(1)='O5'' ',atnam(2)='C5'' ',atnam(3)='C4'' ',atnam(4)='C3'' ',
       r1 = 20.5, r2 = 30.5, r3 = 90.5, r4 = 100.5,
       rk2 = 50.0005, rk3 = 50.0005, /
#============================================================================
# torsion angle constraint number   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, /
# no restraints for UB backbone (aside from delta from sugar and epsilon below)
# 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, /


# Epsilon Restraints
# CTNOESY epsilon calculations
# 1 ADE EPSILN   191.0  201.0
# 2 THY EPSILN   184.0  204.0
# 3 GUA EPSILN   187.0  207.0
# 4 GUA EPSILN   185.0  195.0
# 5 UB  EPSILN   178.0  200.0
# 6 GUA EPSILN   187.0  197.0
# 7 THY EPSILN   190.0  200.0
# 8 THY EPSILN   188.0  204.0
#10 GUA EPSILN   188.0  202.0
#11 ADE EPSILN   184.0  194.0
#12 GUA EPSILN   182.0  196.0
#13 CYT EPSILN   185.0  202.0
#14 THY EPSILN   189.0  203.0
#15 CYT EPSILN   186.0  200.0
#16 CYT EPSILN   197.0  203.0
#17 ADE EPSILN   186.0  196.0
# Torsion angle restraints made from the amber9 makeANG_RST program
# 1 ADE EPSILN:  (1 DA5 C4')-(1 DA5 C3')-(1 DA5 O3')-(2 DT P) 191.0 201.0
 &rst     iat =     6,    25,    30,    31,
   r1 = 190.0, r2 = 191.0, r3 = 201.0, r4 = 202.0,
   rk2 =   50.0, rk3 =   50.0,    &end

# 2 THY EPSILN:  (2 DT C4')-(2 DT C3')-(2 DT O3')-(3 DG P) 184.0 204.0
 &rst     iat =    38,    57,    62,    63,
   r1 = 183.0, r2 = 184.0, r3 = 204.0, r4 = 205.0,
   &rk2 =   50.0, rk3 =   50.0,end

# 3 GUA EPSILN:  (3 DG C4')-(3 DG C3')-(3 DG O3')-(4 DG P) 187.0 207.0
 &rst     iat =    70,    90,    95,    96,
   r1 = 186.0, r2 = 187.0, r3 = 207.0, r4 = 208.0,
   rk2 =   50.0, rk3 =   50.0,&end

# 4 GUA EPSILN:  (4 DG C4')-(4 DG C3')-(4 DG O3')-(5 UB P) 185.0 195.0
 &rst     iat =   103,   123,   128,   130,
   r1 = 184.0, r2 = 185.0, r3 = 195.0, r4 = 196.0,
   rk2 =   50.0, rk3 =   50.0,&end

# 5 UB EPSILN:  (5 UB C4')-(5 UB C3')-(5 UB O3')-(6 DG P) 178.0 200.0
 &rst     iat =   136,   138,   143,   161,
   r1 = 177.0, r2 = 178.0, r3 = 200.0, r4 = 201.0,
   rk2 =   50.0, rk3 =   50.0,&end

# 6 GUA EPSILN:  (6 DG C4')-(6 DG C3')-(6 DG O3')-(7 DC P) 187.0 197.0
 &rst     iat =   168,   188,   193,   194,
   r1 = 186.0, r2 = 187.0, r3 = 197.0, r4 = 198.0,
   rk2 =   50.0, rk3 =   50.0,&end

# 7 THY EPSILN:  (7 DC C4')-(7 DC C3')-(7 DC O3')-(8 DT P) 190.0 200.0
 &rst     iat =   201,   218,   223,   224,
   r1 = 189.0, r2 = 190.0, r3 = 200.0, r4 = 201.0,
   rk2 =   50.0, rk3 =   50.0,&end

# 8 THY EPSILN:  (8 DT C4')-(8 DT C3')-(8 DT O3')-(9 DC3 P) 188.0 204.0
 &rst     iat =   231,   250,   255,   256,
   r1 = 187.0, r2 = 188.0, r3 = 204.0, r4 = 205.0,
   rk2 =   50.0, rk3 =   50.0,&end

# 10 GUA EPSILN:  (10 DG5 C4')-(10 DG5 C3')-(10 DG5 O3')-(11 DA P) 188.0 202.0
 &rst     iat =   292,   312,   317,   318,
   r1 = 187.0, r2 = 188.0, r3 = 202.0, r4 = 203.0,
   rk2 =   50.0, rk3 =   50.0,&end

# 11 ADE EPSILN:  (11 DA C4')-(11 DA C3')-(11 DA O3')-(12 DG P) 184.0 194.0
 &rst     iat =   325,   344,   349,   350,
   r1 = 183.0, r2 = 184.0, r3 = 194.0, r4 = 195.0,
   rk2 =   50.0, rk3 =   50.0,&end

# 12 GUA EPSILN:  (12 DG C4')-(12 DG C3')-(12 DG O3')-(13 DC P) 182.0 196.0
 &rst     iat =   357,   377,   382,   383,
   r1 = 181.0, r2 = 182.0, r3 = 196.0, r4 = 197.0,
   rk2 =   50.0, rk3 =   50.0,&end

# 13 CYT EPSILN:  (13 DC C4')-(13 DC C3')-(13 DC O3')-(14 DT P) 185.0 202.0
 &rst     iat =   390,   407,   412,   413,
   r1 = 184.0, r2 = 185.0, r3 = 202.0, r4 = 203.0,
   rk2 =   50.0, rk3 =   50.0,&end

# 14 THY EPSILN:  (14 DT C4')-(14 DT C3')-(14 DT O3')-(15 DC P) 189.0 203.0
 &rst     iat =   420,   439,   444,   445,
   r1 = 188.0, r2 = 189.0, r3 = 203.0, r4 = 204.0,
   rk2 =   50.0, rk3 =   50.0,&end

# 15 CYT EPSILN:  (15 DC C4')-(15 DC C3')-(15 DC O3')-(16 DC P) 186.0 200.0
 &rst     iat =   452,   469,   474,   475,
   r1 = 185.0, r2 = 186.0, r3 = 200.0, r4 = 201.0,
   rk2 =   50.0, rk3 =   50.0,&end

# 16 CYT EPSILN:  (16 DC C4')-(16 DC C3')-(16 DC O3')-(17 DA P) 197.0 203.0
 &rst     iat =   482,   499,   504,   505,
   r1 = 196.0, r2 = 197.0, r3 = 203.0, r4 = 204.0,
   rk2 =   50.0, rk3 =   50.0,&end

# 17 ADE EPSILN:  (17 DA C4')-(17 DA C3')-(17 DA O3')-(18 DT3 P) 186.0 196.0
 &rst     iat =   512,   531,   536,   537,
   r1 = 185.0, r2 = 186.0, r3 = 196.0, r4 = 197.0,
   rk2 =   50.0, rk3 =   50.0,&end





# SUGAR RESTRAINTS
# Here are the sugar pucker ranges used
# 1 ADE PPA      117.0  198.0
# 2 THY PPA      120.0  180.0
# 4 GUA PPA      150.0  175.0
# 5 UB  PPA      125.0  171.0
# 6 GUA PPA      145.0  171.0
# 7 CYT PPA      120.0  165.0
# 8 THY PPA      117.0  171.0
#10 GUA PPA      100.0  205.0
#11 ADE PPA      126.0  210.0
#12 GUA PPA      117.0  190.0
#13 CYT PPA      100.0  175.0
#14 THY PPA      100.0  216.0
#15 CYT PPA      100.0  200.0
#16 CYT PPA      100.0  207.0
#17 ADE PPA      105.0  216.0
#This is the output from the AMBER Pucker module
# 1 ADE NU0:  (1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2') -38.0   0.0
 &rst     iat =     6,     8,     9,    27,
   r1 = -39.0, r2 = -38.0, r3 =   0.0, r4 =   1.0,
   rk2 =   50.05, rk3 =   50.05,    &end

# 1 ADE NU1:  (1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3')  15.6  45.6
 &rst     iat =     8,     9,    27,    25,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
   rk2 =   50.05, rk3 =   50.05,    &end

# 1 ADE NU2:  (1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4') -43.0 -13.0
 &rst     iat =     9,    27,    25,     6,
   r1 = -44.0, r2 = -43.0, r3 = -13.0, r4 = -12.0,
   rk2 =   50.05, rk3 =   50.05,    &end

# 1 ADE NU3:  (1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4')  -6.0  36.6
 &rst     iat =    27,    25,     6,     8,
   r1 =  -7.0, r2 =  -6.0, r3 =  36.6, r4 =  37.6,
   rk2 =   50.05, rk3 =   50.05,    &end

# 1 ADE NU4:  (1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1') -22.6  27.2
 &rst     iat =    25,     6,     8,     9,
   r1 = -23.6, r2 = -22.6, r3 =  27.2, r4 =  28.2,
   rk2 =   50.05, rk3 =   50.05,    &end

# 2 THY NU0:  (2 DT C4')-(2 DT O4')-(2 DT C1')-(2 DT C2') -39.8  -9.8
 &rst     iat =    38,    40,    41,    59,
   r1 = -40.8, r2 = -39.8, r3 =  -9.8, r4 =  -8.8,
   rk2 =   50.05, rk3 =   50.05,    &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 =   50.05, rk3 =   50.05,    &end

# 2 THY NU2:  (2 DT C1')-(2 DT C2')-(2 DT C3')-(2 DT C4') -43.9 -13.9
 &rst     iat =    41,    59,    57,    38,
   r1 = -44.9, r2 = -43.9, r3 = -13.9, r4 = -12.9,
   rk2 =   50.05, rk3 =   50.05,    &end

# 2 THY NU3:  (2 DT C2')-(2 DT C3')-(2 DT C4')-(2 DT O4')  -4.0  31.1
 &rst     iat =    59,    57,    38,    40,
   r1 =  -5.0, r2 =  -4.0, r3 =  31.1, r4 =  32.1,
   rk2 =   50.05, rk3 =   50.05,    &end

# 2 THY NU4:  (2 DT C3')-(2 DT C4')-(2 DT O4')-(2 DT C1') -11.8  25.8
 &rst     iat =    57,    38,    40,    41,
   r1 = -12.8, r2 = -11.8, r3 =  25.8, r4 =  26.8,
   rk2 =   50.05, rk3 =   50.05,    &end

# 4 GUA NU0:  (4 DG C4')-(4 DG O4')-(4 DG C1')-(4 DG C2') -36.8  -6.8
 &rst     iat =   103,   105,   106,   125,
   r1 = -37.8, r2 = -36.8, r3 =  -6.8, r4 =  -5.8,
   rk2 =   50.05, rk3 =   50.05,    &end

# 4 GUA NU1:  (4 DG O4')-(4 DG C1')-(4 DG C2')-(4 DG C3')  20.7  50.7
 &rst     iat =   105,   106,   125,   123,
   r1 =  19.7, r2 =  20.7, r3 =  50.7, r4 =  51.7,
   rk2 =   50.05, rk3 =   50.05,    &end

# 4 GUA NU2:  (4 DG C1')-(4 DG C2')-(4 DG C3')-(4 DG C4') -50.8 -20.8
 &rst     iat =   106,   125,   123,   103,
   r1 = -51.8, r2 = -50.8, r3 = -20.8, r4 = -19.8,
   rk2 =   50.05, rk3 =   50.05,    &end

# 4 GUA NU3:  (4 DG C2')-(4 DG C3')-(4 DG C4')-(4 DG O4')   7.4  37.4
 &rst     iat =   125,   123,   103,   105,
   r1 =   6.4, r2 =   7.4, r3 =  37.4, r4 =  38.4,
   rk2 =   50.05, rk3 =   50.05,    &end

# 4 GUA NU4:  (4 DG C3')-(4 DG C4')-(4 DG O4')-(4 DG C1') -15.3  14.7
 &rst     iat =   123,   103,   105,   106,
   r1 = -16.3, r2 = -15.3, r3 =  14.7, r4 =  15.7,
   rk2 =   50.05, rk3 =   50.05,    &end

# 5 UB NU0:  (5 UB C4')-(5 UB O4')-(5 UB C1')-(5 UB C2') -42.1 -12.1
 &rst     iat =   136,   144,   145,   140,
   r1 = -43.1, r2 = -42.1, r3 = -12.1, r4 = -11.1,
   rk2 =   50.05, rk3 =   50.05,    &end

# 5 UB NU1:  (5 UB O4')-(5 UB C1')-(5 UB C2')-(5 UB C3')  21.4  51.4
 &rst     iat =   144,   145,   140,   138,
   r1 =  20.4, r2 =  21.4, r3 =  51.4, r4 =  52.4,
   rk2 =   50.05, rk3 =   50.05,    &end

# 5 UB NU2:  (5 UB C1')-(5 UB C2')-(5 UB C3')-(5 UB C4') -45.0 -15.0
 &rst     iat =   145,   140,   138,   136,
   r1 = -46.0, r2 = -45.0, r3 = -15.0, r4 = -14.0,
   rk2 =   50.05, rk3 =   50.05,    &end

# 5 UB NU3:  (5 UB C2')-(5 UB C3')-(5 UB C4')-(5 UB O4')  -1.7  28.3
 &rst     iat =   140,   138,   136,   144,
   r1 =  -2.7, r2 =  -1.7, r3 =  28.3, r4 =  29.3,
   rk2 =   50.05, rk3 =   50.05,    &end

# 5 UB NU4:  (5 UB C3')-(5 UB C4')-(5 UB O4')-(5 UB C1')  -6.4  23.6
 &rst     iat =   138,   136,   144,   145,
   r1 =  -7.4, r2 =  -6.4, r3 =  23.6, r4 =  24.6,
   rk2 =   50.05, rk3 =   50.05,    &end

# 6 GUA NU0:  (6 DG C4')-(6 DG O4')-(6 DG C1')-(6 DG C2') -39.1  -9.1
 &rst     iat =   168,   170,   171,   190,
   r1 = -40.1, r2 = -39.1, r3 =  -9.1, r4 =  -8.1,
   rk2 =   50.05, rk3 =   50.05,    &end

# 6 GUA NU1:  (6 DG O4')-(6 DG C1')-(6 DG C2')-(6 DG C3')  21.4  51.4
 &rst     iat =   170,   171,   190,   188,
   r1 =  20.4, r2 =  21.4, r3 =  51.4, r4 =  52.4,
   rk2 =   50.05, rk3 =   50.05,    &end

# 6 GUA NU2:  (6 DG C1')-(6 DG C2')-(6 DG C3')-(6 DG C4') -49.8 -19.8
 &rst     iat =   171,   190,   188,   168,
   r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8,
   rk2 =   50.05, rk3 =   50.05,    &end

# 6 GUA NU3:  (6 DG C2')-(6 DG C3')-(6 DG C4')-(6 DG O4')   4.9  34.9
 &rst     iat =   190,   188,   168,   170,
   r1 =   3.9, r2 =   4.9, r3 =  34.9, r4 =  35.9,
   rk2 =   50.05, rk3 =   50.05,    &end

# 6 GUA NU4:  (6 DG C3')-(6 DG C4')-(6 DG O4')-(6 DG C1') -12.4  17.6
 &rst     iat =   188,   168,   170,   171,
   r1 = -13.4, r2 = -12.4, r3 =  17.6, r4 =  18.6,
   rk2 =   50.05, rk3 =   50.05,    &end

# 7 CYT NU0:  (7 DC C4')-(7 DC O4')-(7 DC C1')-(7 DC C2') -44.3 -14.3
 &rst     iat =   201,   203,   204,   220,
   r1 = -45.3, r2 = -44.3, r3 = -14.3, r4 = -13.3,
   rk2 =   50.05, rk3 =   50.05,    &end

# 7 CYT NU1:  (7 DC O4')-(7 DC C1')-(7 DC C2')-(7 DC C3')  21.8  51.8
 &rst     iat =   203,   204,   220,   218,
   r1 =  20.8, r2 =  21.8, r3 =  51.8, r4 =  52.8,
   rk2 =   50.05, rk3 =   50.05,    &end

# 7 CYT NU2:  (7 DC C1')-(7 DC C2')-(7 DC C3')-(7 DC C4') -43.2 -13.2
 &rst     iat =   204,   220,   218,   201,
   r1 = -44.2, r2 = -43.2, r3 = -13.2, r4 = -12.2,
   rk2 =   50.05, rk3 =   50.05,    &end

# 7 CYT NU3:  (7 DC C2')-(7 DC C3')-(7 DC C4')-(7 DC O4')  -4.9  25.1
 &rst     iat =   220,   218,   201,   203,
   r1 =  -5.9, r2 =  -4.9, r3 =  25.1, r4 =  26.1,
   rk2 =   50.05, rk3 =   50.05,    &end

# 7 CYT NU4:  (7 DC C3')-(7 DC C4')-(7 DC O4')-(7 DC C1')  -3.1  26.9
 &rst     iat =   218,   201,   203,   204,
   r1 =  -4.1, r2 =  -3.1, r3 =  26.9, r4 =  27.9,
   rk2 =   50.05, rk3 =   50.05,    &end

# 8 THY NU0:  (8 DT C4')-(8 DT O4')-(8 DT C1')-(8 DT C2') -42.8 -12.8
 &rst     iat =   231,   233,   234,   252,
   r1 = -43.8, r2 = -42.8, r3 = -12.8, r4 = -11.8,
   rk2 =   50.05, rk3 =   50.05,    &end

# 8 THY NU1:  (8 DT O4')-(8 DT C1')-(8 DT C2')-(8 DT C3')  21.4  51.4
 &rst     iat =   233,   234,   252,   250,
   r1 =  20.4, r2 =  21.4, r3 =  51.4, r4 =  52.4,
   rk2 =   50.05, rk3 =   50.05,    &end

# 8 THY NU2:  (8 DT C1')-(8 DT C2')-(8 DT C3')-(8 DT C4') -42.7 -12.7
 &rst     iat =   234,   252,   250,   231,
   r1 = -43.7, r2 = -42.7, r3 = -12.7, r4 = -11.7,
   rk2 =   50.05, rk3 =   50.05,    &end

# 8 THY NU3:  (8 DT C2')-(8 DT C3')-(8 DT C4')-(8 DT O4')  -6.0  27.2
 &rst     iat =   252,   250,   231,   233,
   r1 =  -7.0, r2 =  -6.0, r3 =  27.2, r4 =  28.2,
   rk2 =   50.05, rk3 =   50.05,    &end

# 8 THY NU4:  (8 DT C3')-(8 DT C4')-(8 DT O4')-(8 DT C1')  -6.0  27.2
 &rst     iat =   250,   231,   233,   234,
   r1 =  -7.0, r2 =  -6.0, r3 =  27.2, r4 =  28.2,
   rk2 =   50.05, rk3 =   50.05,    &end

# 10 GUA NU0:  (10 DG5 C4')-(10 DG5 O4')-(10 DG5 C1')-(10 DG5 C2') -38.5   4.7
 &rst     iat =   292,   294,   295,   314,
   r1 = -39.5, r2 = -38.5, r3 =   4.7, r4 =   5.7,
   rk2 =   50.05, rk3 =   50.05,    &end

# 10 GUA NU1:  (10 DG5 O4')-(10 DG5 C1')-(10 DG5 C2')-(10 DG5 C3')  13.6  43.6
 &rst     iat =   294,   295,   314,   312,
   r1 =  12.6, r2 =  13.6, r3 =  43.6, r4 =  44.6,
   rk2 =   50.05, rk3 =   50.05,    &end

# 10 GUA NU2:  (10 DG5 C1')-(10 DG5 C2')-(10 DG5 C3')-(10 DG5 C4') -38.5  -6.7
 &rst     iat =   295,   314,   312,   292,
   r1 = -39.5, r2 = -38.5, r3 =  -6.7, r4 =  -5.7,
   rk2 =   50.05, rk3 =   50.05,    &end

# 10 GUA NU3:  (10 DG5 C2')-(10 DG5 C3')-(10 DG5 C4')-(10 DG5 O4') -16.9  37.8
 &rst     iat =   314,   312,   292,   294,
   r1 = -17.9, r2 = -16.9, r3 =  37.8, r4 =  38.8,
   rk2 =   50.05, rk3 =   50.05,    &end

# 10 GUA NU4:  (10 DG5 C3')-(10 DG5 C4')-(10 DG5 O4')-(10 DG5 C1') -26.2  34.0
 &rst     iat =   312,   292,   294,   295,
   r1 = -27.2, r2 = -26.2, r3 =  34.0, r4 =  35.0,
   rk2 =   50.05, rk3 =   50.05,    &end

# 11 ADE NU0:  (11 DA C4')-(11 DA O4')-(11 DA C1')-(11 DA C2') -36.6   8.0
 &rst     iat =   325,   327,   328,   346,
   r1 = -37.6, r2 = -36.6, r3 =   8.0, r4 =   9.0,
   rk2 =   50.05, rk3 =   50.05,    &end

# 11 ADE NU1:  (11 DA O4')-(11 DA C1')-(11 DA C2')-(11 DA C3')  12.1  42.1
 &rst     iat =   327,   328,   346,   344,
   r1 =  11.1, r2 =  12.1, r3 =  42.1, r4 =  43.1,
   rk2 =   50.05, rk3 =   50.05,    &end

# 11 ADE NU2:  (11 DA C1')-(11 DA C2')-(11 DA C3')-(11 DA C4') -45.6 -15.6
 &rst     iat =   328,   346,   344,   325,
   r1 = -46.6, r2 = -45.6, r3 = -15.6, r4 = -14.6,
   rk2 =   50.05, rk3 =   50.05,    &end

# 11 ADE NU3:  (11 DA C2')-(11 DA C3')-(11 DA C4')-(11 DA O4')  -0.0  38.3
 &rst     iat =   346,   344,   325,   327,
   r1 =  -1.0, r2 =  -0.0, r3 =  38.3, r4 =  39.3,
   rk2 =   50.05, rk3 =   50.05,    &end

# 11 ADE NU4:  (11 DA C3')-(11 DA C4')-(11 DA O4')-(11 DA C1') -28.6  22.6
 &rst     iat =   344,   325,   327,   328,
   r1 = -29.6, r2 = -28.6, r3 =  22.6, r4 =  23.6,
   rk2 =   50.05, rk3 =   50.05,    &end

# 12 GUA NU0:  (12 DG C4')-(12 DG O4')-(12 DG C1')-(12 DG C2') -38.0  -5.4
 &rst     iat =   357,   359,   360,   379,
   r1 = -39.0, r2 = -38.0, r3 =  -5.4, r4 =  -4.4,
   rk2 =   50.05, rk3 =   50.05,    &end

# 12 GUA NU1:  (12 DG O4')-(12 DG C1')-(12 DG C2')-(12 DG C3')  17.6  47.6
 &rst     iat =   359,   360,   379,   377,
   r1 =  16.6, r2 =  17.6, r3 =  47.6, r4 =  48.6,
   rk2 =   50.05, rk3 =   50.05,    &end

# 12 GUA NU2:  (12 DG C1')-(12 DG C2')-(12 DG C3')-(12 DG C4') -43.0 -13.0
 &rst     iat =   360,   379,   377,   357,
   r1 = -44.0, r2 = -43.0, r3 = -13.0, r4 = -12.0,
   rk2 =   50.05, rk3 =   50.05,    &end

# 12 GUA NU3:  (12 DG C2')-(12 DG C3')-(12 DG C4')-(12 DG O4')  -6.0  34.6
 &rst     iat =   379,   377,   357,   359,
   r1 =  -7.0, r2 =  -6.0, r3 =  34.6, r4 =  35.6,
   rk2 =   50.05, rk3 =   50.05,    &end

# 12 GUA NU4:  (12 DG C3')-(12 DG C4')-(12 DG O4')-(12 DG C1') -18.0  27.2
 &rst     iat =   377,   357,   359,   360,
   r1 = -19.0, r2 = -18.0, r3 =  27.2, r4 =  28.2,
   rk2 =   50.05, rk3 =   50.05,    &end

# 13 CYT NU0:  (13 DC C4')-(13 DC O4')-(13 DC C1')-(13 DC C2') -41.8 -11.8
 &rst     iat =   390,   392,   393,   409,
   r1 = -42.8, r2 = -41.8, r3 = -11.8, r4 = -10.8,
   rk2 =   50.05, rk3 =   50.05,    &end

# 13 CYT NU1:  (13 DC O4')-(13 DC C1')-(13 DC C2')-(13 DC C3')  18.1  48.1
 &rst     iat =   392,   393,   409,   407,
   r1 =  17.1, r2 =  18.1, r3 =  48.1, r4 =  49.1,
   rk2 =   50.05, rk3 =   50.05,    &end

# 13 CYT NU2:  (13 DC C1')-(13 DC C2')-(13 DC C3')-(13 DC C4') -38.3  -6.7
 &rst     iat =   393,   409,   407,   390,
   r1 = -39.3, r2 = -38.3, r3 =  -6.7, r4 =  -5.7,
   rk2 =   50.05, rk3 =   50.05,    &end

# 13 CYT NU3:  (13 DC C2')-(13 DC C3')-(13 DC C4')-(13 DC O4') -16.9  29.1
 &rst     iat =   409,   407,   390,   392,
   r1 = -17.9, r2 = -16.9, r3 =  29.1, r4 =  30.1,
   rk2 =   50.05, rk3 =   50.05,    &end

# 13 CYT NU4:  (13 DC C3')-(13 DC C4')-(13 DC O4')-(13 DC C1')  -8.6  34.0
 &rst     iat =   407,   390,   392,   393,
   r1 =  -9.6, r2 =  -8.6, r3 =  34.0, r4 =  35.0,
   rk2 =   50.05, rk3 =   50.05,    &end

# 14 THY NU0:  (14 DT C4')-(14 DT O4')-(14 DT C1')-(14 DT C2') -38.5  11.9
 &rst     iat =   420,   422,   423,   441,
   r1 = -39.5, r2 = -38.5, r3 =  11.9, r4 =  12.9,
   rk2 =   50.05, rk3 =   50.05,    &end

# 14 THY NU1:  (14 DT O4')-(14 DT C1')-(14 DT C2')-(14 DT C3')  10.2  40.2
 &rst     iat =   422,   423,   441,   439,
   r1 =   9.2, r2 =  10.2, r3 =  40.2, r4 =  41.2,
   rk2 =   50.05, rk3 =   50.05,    &end

# 14 THY NU2:  (14 DT C1')-(14 DT C2')-(14 DT C3')-(14 DT C4') -38.5  -6.7
 &rst     iat =   423,   441,   439,   420,
   r1 = -39.5, r2 = -38.5, r3 =  -6.7, r4 =  -5.7,
   rk2 =   50.05, rk3 =   50.05,    &end

# 14 THY NU3:  (14 DT C2')-(14 DT C3')-(14 DT C4')-(14 DT O4') -16.9  38.5
 &rst     iat =   441,   439,   420,   422,
   r1 = -17.9, r2 = -16.9, r3 =  38.5, r4 =  39.5,
   rk2 =   50.05, rk3 =   50.05,    &end

# 14 THY NU4:  (14 DT C3')-(14 DT C4')-(14 DT O4')-(14 DT C1') -31.1  34.0
 &rst     iat =   439,   420,   422,   423,
   r1 = -32.1, r2 = -31.1, r3 =  34.0, r4 =  35.0,
   rk2 =   50.05, rk3 =   50.05,    &end

# 15 CYT NU0:  (15 DC C4')-(15 DC O4')-(15 DC C1')-(15 DC C2') -38.5   1.3
 &rst     iat =   452,   454,   455,   471,
   r1 = -39.5, r2 = -38.5, r3 =   1.3, r4 =   2.3,
   rk2 =   50.05, rk3 =   50.05,    &end

# 15 CYT NU1:  (15 DC O4')-(15 DC C1')-(15 DC C2')-(15 DC C3')  15.0  45.0
 &rst     iat =   454,   455,   471,   469,
   r1 =  14.0, r2 =  15.0, r3 =  45.0, r4 =  46.0,
   rk2 =   50.05, rk3 =   50.05,    &end

# 15 CYT NU2:  (15 DC C1')-(15 DC C2')-(15 DC C3')-(15 DC C4') -38.5  -6.7
 &rst     iat =   455,   471,   469,   452,
   r1 = -39.5, r2 = -38.5, r3 =  -6.7, r4 =  -5.7,
   rk2 =   50.05, rk3 =   50.05,    &end

# 15 CYT NU3:  (15 DC C2')-(15 DC C3')-(15 DC C4')-(15 DC O4') -16.9  37.0
 &rst     iat =   471,   469,   452,   454,
   r1 = -17.9, r2 = -16.9, r3 =  37.0, r4 =  38.0,
   rk2 =   50.05, rk3 =   50.05,    &end

# 15 CYT NU4:  (15 DC C3')-(15 DC C4')-(15 DC O4')-(15 DC C1') -23.7  34.0
 &rst     iat =   469,   452,   454,   455,
   r1 = -24.7, r2 = -23.7, r3 =  34.0, r4 =  35.0,
   rk2 =   50.05, rk3 =   50.05,    &end

# 16 CYT NU0:  (16 DC C4')-(16 DC O4')-(16 DC C1')-(16 DC C2') -38.5   6.0
 &rst     iat =   482,   484,   485,   501,
   r1 = -39.5, r2 = -38.5, r3 =   6.0, r4 =   7.0,
   rk2 =   50.05, rk3 =   50.05,    &end

# 16 CYT NU1:  (16 DC O4')-(16 DC C1')-(16 DC C2')-(16 DC C3')  13.0  43.0
 &rst     iat =   484,   485,   501,   499,
   r1 =  12.0, r2 =  13.0, r3 =  43.0, r4 =  44.0,
   rk2 =   50.05, rk3 =   50.05,    &end

# 16 CYT NU2:  (16 DC C1')-(16 DC C2')-(16 DC C3')-(16 DC C4') -38.5  -6.7
 &rst     iat =   485,   501,   499,   482,
   r1 = -39.5, r2 = -38.5, r3 =  -6.7, r4 =  -5.7,
   rk2 =   50.05, rk3 =   50.05,    &end

# 16 CYT NU3:  (16 DC C2')-(16 DC C3')-(16 DC C4')-(16 DC O4') -16.9  38.0
 &rst     iat =   501,   499,   482,   484,
   r1 = -17.9, r2 = -16.9, r3 =  38.0, r4 =  39.0,
   rk2 =   50.05, rk3 =   50.05,    &end

# 16 CYT NU4:  (16 DC C3')-(16 DC C4')-(16 DC O4')-(16 DC C1') -27.2  34.0
 &rst     iat =   499,   482,   484,   485,
   r1 = -28.2, r2 = -27.2, r3 =  34.0, r4 =  35.0,
   rk2 =   50.05, rk3 =   50.05,    &end

# 17 ADE NU0:  (17 DA C4')-(17 DA O4')-(17 DA C1')-(17 DA C2') -38.5  11.9
 &rst     iat =   512,   514,   515,   533,
   r1 = -39.5, r2 = -38.5, r3 =  11.9, r4 =  12.9,
   rk2 =   50.05, rk3 =   50.05,    &end

# 17 ADE NU1:  (17 DA O4')-(17 DA C1')-(17 DA C2')-(17 DA C3')  10.2  40.2
 &rst     iat =   514,   515,   533,   531,
   r1 =   9.2, r2 =  10.2, r3 =  40.2, r4 =  41.2,
   rk2 =   50.05, rk3 =   50.05,    &end

# 17 ADE NU2:  (17 DA C1')-(17 DA C2')-(17 DA C3')-(17 DA C4') -39.2  -9.2
 &rst     iat =   515,   533,   531,   512,
   r1 = -40.2, r2 = -39.2, r3 =  -9.2, r4 =  -8.2,
   rk2 =   50.05, rk3 =   50.05,    &end

# 17 ADE NU3:  (17 DA C2')-(17 DA C3')-(17 DA C4')-(17 DA O4') -13.8  38.5
 &rst     iat =   533,   531,   512,   514,
   r1 = -14.8, r2 = -13.8, r3 =  38.5, r4 =  39.5,
   rk2 =   50.05, rk3 =   50.05,    &end

# 17 ADE NU4:  (17 DA C3')-(17 DA C4')-(17 DA O4')-(17 DA C1') -31.1  32.3
 &rst     iat =   531,   512,   514,   515,
   r1 = -32.1, r2 = -31.1, r3 =  32.3, r4 =  33.3,
   rk2 =   50.05, rk3 =   50.05,    &end



 &align
   ndip=40, dcut=-1.0, freezemol=False,
   s11=9.426, s22=-1.977, s12=2.660, s13=-23.145, s23=8.138,
   id(1)=515,   jd(1)=516,  dobsl(1)= 1.2, dobsu(1)= 1.2, gigj(1)= 7.84665, dij(1)= 1.09, dwt(1)=1.00000, 
   id(2)=485,   jd(2)=486,  dobsl(2)= 6.0, dobsu(2)= 6.0, gigj(2)= 7.84665, dij(2)= 1.09, dwt(2)=1.00000, 
   id(3)=547,   jd(3)=548,  dobsl(3)= -5.1, dobsu(3)= -5.1, gigj(3)= 7.84665, dij(3)= 1.09, dwt(3)=1.00000,
   id(4)=488,   jd(4)=489,  dobsl(4)= -0.2, dobsu(4)= -0.2, gigj(4)= 7.84665, dij(4)= 1.09, dwt(4)=1.00000,
   id(5)=490,   jd(5)=491,  dobsl(5)= 12.2, dobsu(5)= 12.2, gigj(5)= 7.84665, dij(5)= 1.09, dwt(5)=1.00000, 
   id(6)=41,   jd(6)=42,  dobsl(6)= 6.2, dobsu(6)= 6.2, gigj(6)= 7.84665, dij(6)= 1.09, dwt(6)=1.00000,
   id(7)=38,   jd(7)=39,  dobsl(7)= 3.2, dobsu(7)= 3.2, gigj(7)= 7.84665, dij(7)= 1.09, dwt(7)=1.00000,
   id(8)=73,   jd(8)=74,  dobsl(8)= 5.0, dobsu(8)= 5.0, gigj(8)= 7.84665, dij(8)= 1.09, dwt(8)=1.00000, 
   id(9)=70,   jd(9)=71,  dobsl(9)= -0.6, dobsu(9)= -0.6, gigj(9)= 7.84665, dij(9)= 1.09, dwt(9)=1.00000,
   id(10)=109,   jd(10)=110,  dobsl(10)= 8.2, dobsu(10)= 8.2, gigj(10)= 7.84665, dij(10)= 1.09, dwt(10)=1.00000,
   id(11)=455,   jd(11)=456,  dobsl(11)= 4.8, dobsu(11)= 4.8, gigj(11)= 7.84665, dij(11)= 1.09, dwt(11)=1.00000,
   id(12)=103,   jd(12)=104,  dobsl(12)= -4.8, dobsu(12)= -4.8, gigj(12)= 7.84665, dij(12)= 1.09, dwt(12)=1.00000,
   id(13)=148,   jd(13)=149,  dobsl(13)= 2.4, dobsu(13)= 2.4, gigj(13)= 7.84665, dij(13)= 1.09, dwt(13)=1.00000,
   id(14)=145,   jd(14)=146,  dobsl(14)= -1.7, dobsu(14)= -1.7, gigj(14)= 7.84665, dij(14)= 1.09, dwt(14)=1.00000,
   id(15)=174,   jd(15)=175,  dobsl(15)= 13.7, dobsu(15)= 14.7, gigj(15)= 7.84665, dij(15)= 1.09, dwt(15)=1.00000, 
   id(16)=171,   jd(16)=172,  dobsl(16)= 7.1, dobsu(16)= 7.1, gigj(16)= 7.84665, dij(16)= 1.09, dwt(16)=1.00000, 
   id(17)=168,   jd(17)=169,  dobsl(17)= 3.8, dobsu(17)= 3.8, gigj(17)= 7.84665, dij(17)= 1.09, dwt(17)=1.00000, 
   id(18)=518,   jd(18)=519,  dobsl(18)= 0.6, dobsu(18)= 0.6, gigj(18)= 7.84665, dij(18)= 1.09, dwt(18)=1.00000,
   id(19)=209,   jd(19)=210,  dobsl(19)= 11.1, dobsu(19)= 11.1, gigj(19)= 7.84665, dij(19)= 1.09, dwt(19)=1.00000, 
   id(20)=204,   jd(20)=205,  dobsl(20)= 5.8, dobsu(20)= 5.8, gigj(20)= 7.84665, dij(20)= 1.09, dwt(20)=1.00000,
   id(21)=237,   jd(21)=238,  dobsl(21)= -1.2, dobsu(21)= -1.2, gigj(21)= 7.84665, dij(21)= 1.09, dwt(21)=1.00000, 
   id(22)=234,   jd(22)=235,  dobsl(22)= 0.7, dobsu(22)= 0.7, gigj(22)= 7.84665, dij(22)= 1.09, dwt(22)=1.00000,
   id(23)=250,   jd(23)=251,  dobsl(23)= 0.5, dobsu(23)= 0.5, gigj(23)= 7.84665, dij(23)= 1.09, dwt(23)=1.00000,
   id(24)=269,   jd(24)=270,  dobsl(24)= 2.0, dobsu(24)= 2.0, gigj(24)= 7.84665, dij(24)= 1.09, dwt(24)=1.00000, 
   id(25)=271,   jd(25)=272,  dobsl(25)= 1.3, dobsu(25)= 1.3, gigj(25)= 7.84665, dij(25)= 1.09, dwt(25)=1.00000, 
   id(26)=295,   jd(26)=296,  dobsl(26)= 4.7, dobsu(26)= 4.7, gigj(26)= 7.84665, dij(26)= 1.09, dwt(26)=1.00000, 
   id(27)=312,   jd(27)=313,  dobsl(27)= 2.2, dobsu(27)= 2.2, gigj(27)= 7.84665, dij(27)= 1.09, dwt(27)=1.00000, 
   id(28)=460,   jd(28)=461,  dobsl(28)= 5.9, dobsu(28)= 5.9, gigj(28)= 7.84665, dij(28)= 1.09, dwt(28)=1.00000, 
   id(29)=331,   jd(29)=332,  dobsl(29)= 5.1, dobsu(29)= 5.1, gigj(29)= 7.84665, dij(29)= 1.09, dwt(29)=1.00000,
   id(30)=340,   jd(30)=341,  dobsl(30)= 7.1, dobsu(30)= 7.1, gigj(30)= 7.84665, dij(30)= 1.09, dwt(30)=1.00000, 
   id(31)=458,   jd(31)=459,  dobsl(31)= 9.3, dobsu(31)= 9.3, gigj(31)= 7.84665, dij(31)= 1.09, dwt(31)=1.00000,
   id(32)=344,   jd(32)=345,  dobsl(32)= 1.4, dobsu(32)= 1.4, gigj(32)= 7.84665, dij(32)= 1.09, dwt(32)=1.00000, 
   id(33)=325,   jd(33)=326,  dobsl(33)= -2.1, dobsu(33)= -2.1, gigj(33)= 7.84665, dij(33)= 1.09, dwt(33)=1.00000,
   id(34)=482,   jd(34)=483,  dobsl(34)= 7.0, dobsu(34)= 7.0, gigj(34)= 7.84665, dij(34)= 1.09, dwt(34)=1.00000,
   id(35)=360,   jd(35)=361,  dobsl(35)= 1.0, dobsu(35)= 1.0, gigj(35)= 7.84665, dij(35)= 1.09, dwt(35)=1.00000, 
   id(36)=439,   jd(36)=440,  dobsl(36)= 7.0, dobsu(36)= 7.0, gigj(36)= 7.84665, dij(36)= 1.09, dwt(36)=1.00000, 
   id(37)=398,   jd(37)=399,  dobsl(37)= -1.3, dobsu(37)= -1.3, gigj(37)= 7.84665, dij(37)= 1.09, dwt(37)=1.00000, 
   id(38)=407,   jd(38)=408,  dobsl(38)= 1.4, dobsu(38)= 1.4, gigj(38)= 7.84665, dij(38)= 1.09, dwt(38)=1.00000, 
   id(39)=426,   jd(39)=427,  dobsl(39)= 8.9, dobsu(39)= 12.9, gigj(39)= 7.84665, dij(39)= 1.09, dwt(39)=1.00000,
   id(40)=527,   jd(40)=528,  dobsl(40)= 5.3, dobsu(40)= 5.3, gigj(40)= 7.84665, dij(40)= 1.09, dwt(40)=1.00000,





   /

  Entry H atom name         Submitted Coord H atom name
    1    H5'   DA   1          1H5*       DA   1  16.203  39.258  18.644
    2   H5''   DA   1          2H5*       DA   1  14.983  38.495  19.653
    3    H4'   DA   1           H4*       DA   1  15.503  37.055  17.802
    4    H3'   DA   1           H3*       DA   1  15.476  36.118  20.362
    5    H2'   DA   1          1H2*       DA   1  17.832  36.099  20.734
    6   H2''   DA   1          2H2*       DA   1  17.670  34.466  20.020
    7    H1'   DA   1           H1*       DA   1  18.351  35.153  17.901
    8    H8    DA   1           H8        DA   1  19.313  38.169  20.199
    9    H61   DA   1           2H6       DA   1  24.174  37.869  19.367
   10    H62   DA   1           1H6       DA   1  25.102  36.832  18.294
   11    H2    DA   1           H2        DA   1  22.457  33.845  16.587
   12   HO5'   DA   1          H5T        DA   1  16.507  38.064  21.233
   13    H5'   DT   2          1H5*       DT   2  16.178  32.512  17.137
   14   H5''   DT   2          2H5*       DT   2  15.199  31.148  17.689
   15    H4'   DT   2           H4*       DT   2  17.373  30.300  16.860
   16    H3'   DT   2           H3*       DT   2  16.385  29.548  19.319
   17    H2'   DT   2          1H2*       DT   2  18.267  30.604  20.591
   18   H2''   DT   2          2H2*       DT   2  19.062  29.130  20.033
   19    H1'   DT   2           H1*       DT   2  19.984  30.272  18.075
   20    H3    DT   2           H3        DT   2  23.560  32.552  19.485
   21    H71   DT   2           3H7       DT   2  20.764  34.341  23.010
   22    H72   DT   2           1H7       DT   2  19.178  34.354  22.216
   23    H73   DT   2           2H7       DT   2  20.441  35.520  21.738
   24    H6    DT   2           H6        DT   2  18.881  32.676  20.627
   25    H5'   DG   3          1H5*       DG   3  20.131  27.641  17.221
   26   H5''   DG   3          2H5*       DG   3  19.810  25.909  17.123
   27    H4'   DG   3           H4*       DG   3  22.123  26.107  17.150
   28    H3'   DG   3           H3*       DG   3  20.972  24.732  19.297
   29    H2'   DG   3          1H2*       DG   3  21.555  26.407  20.871
   30   H2''   DG   3          2H2*       DG   3  23.048  25.426  20.947
   31    H1'   DG   3           H1*       DG   3  24.106  26.724  19.267
   32    H8    DG   3           H8        DG   3  21.511  28.572  21.458
   33    H1    DG   3           H1        DG   3  27.408  31.074  21.902
   34    H21   DG   3           1H2       DG   3  28.800  29.895  20.774
   35    H22   DG   3           2H2       DG   3  28.304  28.621  19.682
   36    H5'   DG   4          1H5*       DG   4  25.432  24.242  17.756
   37   H5''   DG   4          2H5*       DG   4  25.708  22.491  17.718
   38    H4'   DG   4           H4*       DG   4  27.861  23.663  17.940
   39    H3'   DG   4           H3*       DG   4  26.962  21.707  19.736
   40    H2'   DG   4          1H2*       DG   4  27.410  22.720  21.717
   41   H2''   DG   4          2H2*       DG   4  29.147  22.847  21.217
   42    H1'   DG   4           H1*       DG   4  28.914  25.033  20.696
   43    H8    DG   4           H8        DG   4  25.240  24.367  21.514
   44    H1    DG   4           H1        DG   4  28.093  29.049  24.876
   45    H21   DG   4           1H2       DG   4  30.203  29.112  24.293
   46    H22   DG   4           2H2       DG   4  30.850  28.037  23.059
   47   H5'2  4EN   5          H5'2      4EN   5  31.491  22.480  19.747
   48   H5'1  4EN   5          H5'1      4EN   5  32.410  20.973  19.588
   49    H4'  4EN   5           H4'      4EN   5  33.436  22.282  21.389
   50    H3'  4EN   5           H3'      4EN   5  32.377  19.683  21.903
   51   H2'1  4EN   5          H2'1      4EN   5  30.768  20.417  23.340
   52   H2'2  4EN   5          H2'2      4EN   5  32.073  20.482  24.536
   53    H1'  4EN   5           H1'      4EN   5  32.394  22.750  24.271
   54    H7   4EN   5           H7       4EN   5  30.998  24.583  25.258
   55    H61  4EN   5           H61      4EN   5  29.357  26.386  26.327
   56    H62  4EN   5           H62      4EN   5  27.659  26.654  26.729
   57    H2   4EN   5           H2       4EN   5  25.094  23.662  25.113
   58    H5'   DG   6          1H5*       DG   6  34.713  22.513  24.208
   59   H5''   DG   6          2H5*       DG   6  36.144  21.874  25.021
   60    H4'   DG   6           H4*       DG   6  35.383  23.716  26.316
   61    H3'   DG   6           H3*       DG   6  35.540  21.159  27.423
   62    H2'   DG   6          1H2*       DG   6  33.257  20.956  27.762
   63   H2''   DG   6          2H2*       DG   6  33.708  21.854  29.254
   64    H1'   DG   6           H1*       DG   6  33.208  23.903  28.332
   65    H8    DG   6           H8        DG   6  31.086  20.905  26.873
   66    H1    DG   6           H1        DG   6  27.631  25.419  29.847
   67    H21   DG   6           1H2       DG   6  28.933  26.926  30.695
   68    H22   DG   6           2H2       DG   6  30.652  27.008  30.324
   69    H5'   DC   7          1H5*       DC   7  35.917  25.115  30.169
   70   H5''   DC   7          2H5*       DC   7  36.838  24.716  31.636
   71    H4'   DC   7           H4*       DC   7  35.018  26.352  32.028
   72    H3'   DC   7           H3*       DC   7  35.108  23.739  33.479
   73    H2'   DC   7          1H2*       DC   7  32.953  23.738  33.857
   74   H2''   DC   7          2H2*       DC   7  32.893  25.429  34.427
   75    H1'   DC   7           H1*       DC   7  32.014  26.050  32.254
   76    H41   DC   7           1H4       DC   7  27.832  21.612  31.146
   77    H42   DC   7           2H4       DC   7  29.057  20.612  30.350
   78    H5    DC   7           H5        DC   7  31.359  21.044  30.516
   79    H6    DC   7           H6        DC   7  33.056  22.758  31.364
   80    H5'   DT   8          1H5*       DT   8  33.434  26.948  36.137
   81   H5''   DT   8          2H5*       DT   8  34.381  26.966  37.635
   82    H4'   DT   8           H4*       DT   8  31.988  26.817  38.218
   83    H3'   DT   8           H3*       DT   8  33.987  24.902  39.005
   84    H2'   DT   8          1H2*       DT   8  32.948  23.037  38.261
   85   H2''   DT   8          2H2*       DT   8  31.737  23.280  39.530
   86    H1'   DT   8           H1*       DT   8  30.253  24.318  38.214
   87    H3    DT   8           H3        DT   8  28.370  21.553  35.153
   88    H71   DT   8           3H7       DT   8  32.812  20.601  33.426
   89    H72   DT   8           1H7       DT   8  32.827  19.581  34.838
   90    H73   DT   8           2H7       DT   8  33.833  21.049  34.811
   91    H6    DT   8           H6        DT   8  32.952  22.612  36.241
   92    H5'   DC   9          1H5*       DC   9  30.116  25.221  41.051
   93   H5''   DC   9          2H5*       DC   9  30.079  25.236  42.816
   94    H4'   DC   9           H4*       DC   9  28.292  23.827  42.181
   95    H3'   DC   9           H3*       DC   9  30.703  22.047  42.749
   96   HO3'   DC   9          H3T        DC   9  29.819  23.184  44.536
   97    H2'   DC   9          1H2*       DC   9  29.411  20.190  42.234
   98   H2''   DC   9          2H2*       DC   9  27.885  21.021  42.650
   99    H1'   DC   9           H1*       DC   9  27.565  21.662  40.549
  100    H41   DC   9           1H4       DC   9  29.979  18.024  36.111
  101    H42   DC   9           2H4       DC   9  31.657  18.162  36.658
  102    H5    DC   9           H5        DC   9  32.201  19.549  38.605
  103    H6    DC   9           H6        DC   9  31.221  21.049  40.336
  104    H5'   DG  10          1H5*       DG  10  22.701  10.940  34.276
  105   H5''   DG  10          2H5*       DG  10  21.257  11.160  33.283
  106    H4'   DG  10           H4*       DG  10  21.408  12.764  35.154
  107    H3'   DG  10           H3*       DG  10  20.759  13.380  32.511
  108    H2'   DG  10          1H2*       DG  10  22.733  14.611  32.058
  109   H2''   DG  10          2H2*       DG  10  21.767  15.908  32.804
  110    H1'   DG  10           H1*       DG  10  22.692  15.482  35.010
  111    H8    DG  10           H8        DG  10  25.295  14.193  32.360
  112    H1    DG  10           H1        DG  10  27.532  18.304  36.797
  113    H21   DG  10           1H2       DG  10  25.877  19.067  37.988
  114    H22   DG  10           2H2       DG  10  24.224  18.484  37.722
  115   HO5'   DG  10          H5T        DG  10  23.969  11.680  32.717
  116    H5'   DA  11          1H5*       DA  11  19.984  16.794  35.905
  117   H5''   DA  11          2H5*       DA  11  18.297  17.232  35.660
  118    H4'   DA  11           H4*       DA  11  19.252  19.133  36.476
  119    H3'   DA  11           H3*       DA  11  18.321  19.317  33.850
  120    H2'   DA  11          1H2*       DA  11  20.443  19.400  32.791
  121   H2''   DA  11          2H2*       DA  11  20.208  21.082  33.138
  122    H1'   DA  11           H1*       DA  11  21.395  21.036  35.179
  123    H8    DA  11           H8        DA  11  22.374  18.253  32.671
  124    H61   DA  11           2H6       DA  11  27.111  19.040  32.544
  125    H62   DA  11           1H6       DA  11  28.192  20.027  33.520
  126    H2    DA  11           H2        DA  11  25.715  22.445  36.206
  127    H5'   DG  12          1H5*       DG  12  18.748  23.432  36.240
  128   H5''   DG  12          2H5*       DG  12  17.867  24.782  35.519
  129    H4'   DG  12           H4*       DG  12  20.104  25.288  36.598
  130    H3'   DG  12           H3*       DG  12  19.043  26.452  34.179
  131    H2'   DG  12          1H2*       DG  12  20.576  25.567  32.847
  132   H2''   DG  12          2H2*       DG  12  21.581  26.940  33.404
  133    H1'   DG  12           H1*       DG  12  22.667  25.558  35.084
  134    H8    DG  12           H8        DG  12  21.113  23.253  32.352
  135    H1    DG  12           H1        DG  12  27.527  23.560  32.439
  136    H21   DG  12           1H2       DG  12  28.144  25.150  33.815
  137    H22   DG  12           2H2       DG  12  26.966  25.927  34.877
  138    H5'   DC  13          1H5*       DC  13  22.881  28.080  36.166
  139   H5''   DC  13          2H5*       DC  13  22.622  29.789  36.520
  140    H4'   DC  13           H4*       DC  13  24.906  29.542  36.083
  141    H3'   DC  13           H3*       DC  13  23.320  31.117  34.250
  142    H2'   DC  13          1H2*       DC  13  24.076  30.135  32.302
  143   H2''   DC  13          2H2*       DC  13  25.664  30.853  32.645
  144    H1'   DC  13           H1*       DC  13  26.533  28.897  33.545
  145    H41   DC  13           1H4       DC  13  25.477  24.596  29.060
  146    H42   DC  13           2H4       DC  13  23.716  24.815  29.123
  147    H5    DC  13           H5        DC  13  22.659  26.338  30.679
  148    H6    DC  13           H6        DC  13  23.111  28.011  32.403
  149    H5'   DT  14          1H5*       DT  14  27.927  32.197  34.371
  150   H5''   DT  14          2H5*       DT  14  28.073  33.955  34.297
  151    H4'   DT  14           H4*       DT  14  29.755  32.955  32.969
  152    H3'   DT  14           H3*       DT  14  27.778  34.695  31.688
  153    H2'   DT  14          1H2*       DT  14  27.058  33.187  30.245
  154   H2''   DT  14          2H2*       DT  14  28.435  33.599  29.222
  155    H1'   DT  14           H1*       DT  14  29.826  31.890  30.287
  156    H3    DT  14           H3        DT  14  28.940  28.179  27.918
  157    H71   DT  14           3H7       DT  14  24.205  30.618  29.040
  158    H72   DT  14           1H7       DT  14  24.218  28.825  28.995
  159    H73   DT  14           2H7       DT  14  24.529  29.747  27.527
  160    H6    DT  14           H6        DT  14  26.137  31.382  30.185
  161    H5'   DC  15          1H5*       DC  15  31.912  33.523  29.940
  162   H5''   DC  15          2H5*       DC  15  32.726  35.051  29.641
  163    H4'   DC  15           H4*       DC  15  33.778  33.360  28.391
  164    H3'   DC  15           H3*       DC  15  33.042  35.692  27.172
  165    H2'   DC  15          1H2*       DC  15  31.166  35.041  25.951
  166   H2''   DC  15          2H2*       DC  15  32.341  34.391  24.835
  167    H1'   DC  15           H1*       DC  15  32.110  32.342  25.387
  168    H41   DC  15           1H4       DC  15  26.230  30.232  25.604
  169    H42   DC  15           2H4       DC  15  25.599  31.775  26.171
  170    H5    DC  15           H5        DC  15  26.994  33.615  26.575
  171    H6    DC  15           H6        DC  15  29.366  34.409  26.699
  172    H5'   DC  16          1H5*       DC  16  34.884  32.382  24.691
  173   H5''   DC  16          2H5*       DC  16  36.241  32.847  23.671
  174    H4'   DC  16           H4*       DC  16  35.010  31.107  22.668
  175    H3'   DC  16           H3*       DC  16  35.658  33.385  21.252
  176    H2'   DC  16          1H2*       DC  16  33.398  34.417  21.465
  177   H2''   DC  16          2H2*       DC  16  33.261  33.539  19.946
  178    H1'   DC  16           H1*       DC  16  32.363  31.684  20.843
  179    H41   DC  16           1H4       DC  16  26.714  32.971  23.230
  180    H42   DC  16           2H4       DC  16  27.188  34.589  23.757
  181    H5    DC  16           H5        DC  16  29.358  35.491  23.222
  182    H6    DC  16           H6        DC  16  31.644  34.858  22.399
  183    H5'   DA  17          1H5*       DA  17  33.027  30.195  18.986
  184   H5''   DA  17          2H5*       DA  17  34.063  29.764  17.636
  185    H4'   DA  17           H4*       DA  17  32.093  29.380  16.674
  186    H3'   DA  17           H3*       DA  17  33.089  31.938  15.777
  187    H2'   DA  17          1H2*       DA  17  31.401  33.125  16.505
  188   H2''   DA  17          2H2*       DA  17  30.562  32.455  15.070
  189    H1'   DA  17           H1*       DA  17  29.387  30.961  16.280
  190    H8    DA  17           H8        DA  17  30.734  33.693  18.486
  191    H61   DA  17           2H6       DA  17  26.308  34.970  20.482
  192    H62   DA  17           1H6       DA  17  24.780  34.113  20.422
  193    H2    DA  17           H2        DA  17  25.156  30.625  17.848
  194    H5'   DT  18          1H5*       DT  18  29.907  29.865  13.432
  195   H5''   DT  18          2H5*       DT  18  29.939  30.037  11.686
  196    H4'   DT  18           H4*       DT  18  27.718  30.314  12.745
  197    H3'   DT  18           H3*       DT  18  28.730  32.789  11.324
  198   HO3'   DT  18          H3T        DT  18  28.322  30.841  10.020
  199    H2'   DT  18          1H2*       DT  18  26.713  33.801  11.935
  200   H2''   DT  18          2H2*       DT  18  25.811  32.257  11.950
  201    H1'   DT  18           H1*       DT  18  26.304  31.939  14.248
  202    H3    DT  18           H3        DT  18  24.859  35.370  16.502
  203    H71   DT  18           3H7       DT  18  29.230  37.367  15.715
  204    H72   DT  18           1H7       DT  18  30.196  35.901  15.435
  205    H73   DT  18           2H7       DT  18  29.554  36.278  17.057
  206    H6    DT  18           H6        DT  18  28.971  34.238  14.295