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
10416 1pqt 5282 cing 1-original 3 AMBER dihedral angle


#########################################################################
# torsions
# 1 GUA EPSLN:  (1 DG5 C4')-(1 DG5 C3')-(1 DG5 O3')-(2 DC P) 150.0 210.0
 &rst     iat =     6,    26,    31,    32,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
   rk2 =   500.0, rk3 =   500.0,    &end

# 2 CYT EPSLN:  (2 DC C4')-(2 DC C3')-(2 DC O3')-(3 DG P) 150.0 210.0
 &rst     iat =    39,    56,    61,    62,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 4 ADE EPSLN:  (4 DA C4')-(4 DA C3')-(4 DA O3')-(5 DA P) 150.0 210.0
 &rst     iat =   102,   121,   126,   127,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 5 ADE EPSLN:  (5 DA C4')-(5 DA C3')-(5 DA O3')-(6 DG P) 150.0 210.0
 &rst     iat =   134,   153,   158,   159,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 6 GUA EPSLN:  (6 DG C4')-(6 DG C3')-(6 DG O3')-(7 DC3 P) 150.0 210.0
 &rst     iat =   166,   186,   191,   192,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 2 CYT BETA:  (2 DC P)-(2 DC O5')-(2 DC C5')-(2 DC C4') 150.0 210.0
 &rst     iat =    32,    35,    36,    39,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 3 GUA BETA:  (3 DG P)-(3 DG O5')-(3 DG C5')-(3 DG C4') 150.0 210.0
 &rst     iat =    62,    65,    66,    69,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 4 ADE BETA:  (4 DA P)-(4 DA O5')-(4 DA C5')-(4 DA C4') 150.0 210.0
 &rst     iat =    95,    98,    99,   102,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 5 ADE BETA:  (5 DA P)-(5 DA O5')-(5 DA C5')-(5 DA C4') 150.0 210.0
 &rst     iat =   127,   130,   131,   134,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 6 GUA BETA:  (6 DG P)-(6 DG O5')-(6 DG C5')-(6 DG C4') 150.0 210.0
 &rst     iat =   159,   162,   163,   166,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 7 CYT BETA:  (7 DC3 P)-(7 DC3 O5')-(7 DC3 C5')-(7 DC3 C4') 150.0 210.0
 &rst     iat =   192,   195,   196,   199,
   r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
 &end

# 2 CYT GAMMA:  (2 DC O5')-(2 DC C5')-(2 DC C4')-(2 DC C3')  25.0  85.0
 &rst     iat =    35,    36,    39,    56,
   r1 =  24.0, r2 =  25.0, r3 =  85.0, r4 =  86.0,
 &end

# 3 GUA GAMMA:  (3 DG O5')-(3 DG C5')-(3 DG C4')-(3 DG C3')  25.0  85.0
 &rst     iat =    65,    66,    69,    89,
   r1 =  24.0, r2 =  25.0, r3 =  85.0, r4 =  86.0,
 &end

# 4 ADE GAMMA:  (4 DA O5')-(4 DA C5')-(4 DA C4')-(4 DA C3')  25.0  85.0
 &rst     iat =    98,    99,   102,   121,
   r1 =  24.0, r2 =  25.0, r3 =  85.0, r4 =  86.0,
 &end

# 5 ADE GAMMA:  (5 DA O5')-(5 DA C5')-(5 DA C4')-(5 DA C3') 130.0 230.0
 &rst     iat =   130,   131,   134,   153,
   r1 = 129.0, r2 = 130.0, r3 = 230.0, r4 = 231.0,
 &end

# 6 GUA GAMMA:  (6 DG O5')-(6 DG C5')-(6 DG C4')-(6 DG C3')  25.0  85.0
 &rst     iat =   162,   163,   166,   186,
   r1 =  24.0, r2 =  25.0, r3 =  85.0, r4 =  86.0,
 &end

# 7 CYT GAMMA:  (7 DC3 O5')-(7 DC3 C5')-(7 DC3 C4')-(7 DC3 C3')  25.0  85.0
 &rst     iat =   195,   196,   199,   216,
   r1 =  24.0, r2 =  25.0, r3 =  85.0, r4 =  86.0,
 &end

# 1 GUA NU0:  (1 DG5 C4')-(1 DG5 O4')-(1 DG5 C1')-(1 DG5 C2') 342.0 359.1
 &rst     iat =     6,     8,     9,    28,
   r1 = 341.0, r2 = 342.0, r3 = 359.1, r4 = 360.1,
 &end

# 1 GUA NU1:  (1 DG5 O4')-(1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3')  25.4  30.8
 &rst     iat =     8,     9,    28,    26,
   r1 =  24.4, r2 =  25.4, r3 =  30.8, r4 =  31.8,
 &end

# 1 GUA NU2:  (1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4') 318.8 331.3
 &rst     iat =     9,    28,    26,     6,
   r1 = 317.8, r2 = 318.8, r3 = 331.3, r4 = 332.3,
 &end

# 1 GUA NU3:  (1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4')-(1 DG5 O4')  18.1  39.7
 &rst     iat =    28,    26,     6,     8,
   r1 =  17.1, r2 =  18.1, r3 =  39.7, r4 =  40.7,
 &end

# 1 GUA NU4:  (1 DG5 C3')-(1 DG5 C4')-(1 DG5 O4')-(1 DG5 C1') 336.0 359.4
 &rst     iat =    26,     6,     8,     9,
   r1 = 335.0, r2 = 336.0, r3 = 359.4, r4 = 360.4,
 &end

# 2 CYT NU0:  (2 DC C4')-(2 DC O4')-(2 DC C1')-(2 DC C2') 316.8 328.9
 &rst     iat =    39,    41,    42,    58,
   r1 = 315.8, r2 = 316.8, r3 = 328.9, r4 = 329.9,
 &end

# 2 CYT NU1:  (2 DC O4')-(2 DC C1')-(2 DC C2')-(2 DC C3')  38.3  42.2
 &rst     iat =    41,    42,    58,    56,
   r1 =  37.3, r2 =  38.3, r3 =  42.2, r4 =  43.2,
 &end

# 2 CYT NU2:  (2 DC C1')-(2 DC C2')-(2 DC C3')-(2 DC C4') 328.0 335.0
 &rst     iat =    42,    58,    56,    39,
   r1 = 327.0, r2 = 328.0, r3 = 335.0, r4 = 336.0,
 &end

# 2 CYT NU3:  (2 DC C2')-(2 DC C3')-(2 DC C4')-(2 DC O4')  -1.6  12.7
 &rst     iat =    58,    56,    39,    41,
   r1 =  -2.6, r2 =  -1.6, r3 =  12.7, r4 =  13.7,
 &end

# 2 CYT NU4:  (2 DC C3')-(2 DC C4')-(2 DC O4')-(2 DC C1')  11.4  27.7
 &rst     iat =    56,    39,    41,    42,
   r1 =  10.4, r2 =  11.4, r3 =  27.7, r4 =  28.7,
 &end

# 3 GUA NU0:  (3 DG C4')-(3 DG O4')-(3 DG C1')-(3 DG C2') 332.2 350.1
 &rst     iat =    69,    71,    72,    91,
   r1 = 331.2, r2 = 332.2, r3 = 350.1, r4 = 351.1,
 &end

# 3 GUA NU1:  (3 DG O4')-(3 DG C1')-(3 DG C2')-(3 DG C3')  31.6  41.0
 &rst     iat =    71,    72,    91,    89,
   r1 =  30.6, r2 =  31.6, r3 =  41.0, r4 =  42.0,
 &end

# 3 GUA NU2:  (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') 318.0 325.6
 &rst     iat =    72,    91,    89,    69,
   r1 = 317.0, r2 = 318.0, r3 = 325.6, r4 = 326.6,
 &end

# 3 GUA NU3:  (3 DG C2')-(3 DG C3')-(3 DG C4')-(3 DG O4')  21.3  35.8
 &rst     iat =    91,    89,    69,    71,
   r1 =  20.3, r2 =  21.3, r3 =  35.8, r4 =  36.8,
 &end

# 3 GUA NU4:  (3 DG C3')-(3 DG C4')-(3 DG O4')-(3 DG C1') -16.0   4.0
 &rst     iat =    89,    69,    71,    72,
   r1 = -17.0, r2 = -16.0, r3 =   4.0, r4 =   5.0,
 &end

# 4 ADE NU0:  (4 DA C4')-(4 DA O4')-(4 DA C1')-(4 DA C2') 320.4 335.0
 &rst     iat =   102,   104,   105,   123,
   r1 = 319.4, r2 = 320.4, r3 = 335.0, r4 = 336.0,
 &end

# 4 ADE NU1:  (4 DA O4')-(4 DA C1')-(4 DA C2')-(4 DA C3')  36.1  42.0
 &rst     iat =   104,   105,   123,   121,
   r1 =  35.1, r2 =  36.1, r3 =  42.0, r4 =  43.0,
 &end

# 4 ADE NU2:  (4 DA C1')-(4 DA C2')-(4 DA C3')-(4 DA C4') 323.3 334.5
 &rst     iat =   105,   123,   121,   102,
   r1 = 322.3, r2 = 323.3, r3 = 334.5, r4 = 335.5,
 &end

# 4 ADE NU3:  (4 DA C2')-(4 DA C3')-(4 DA C4')-(4 DA O4')   1.0  18.0
 &rst     iat =   123,   121,   102,   104,
   r1 =   0.0, r2 =   1.0, r3 =  18.0, r4 =  19.0,
 &end

# 4 ADE NU4:  (4 DA C3')-(4 DA C4')-(4 DA O4')-(4 DA C1')   4.3  23.9
 &rst     iat =   121,   102,   104,   105,
   r1 =   3.3, r2 =   4.3, r3 =  23.9, r4 =  24.9,
 &end



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