NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)

image mrblock_id pdb_id bmrb_id cing stage position program type
607646 2n5o 25723 cing 1-original 7 AMBER dihedral angle


# 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





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