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
492511 2kh4 16223 cing 1-original 1 AMBER dihedral angle


# 2 THY ALPHA:  (1 DC5 O3')-(2 DT P)-(2 DT O5')-(2 DT C5') -120.0 -10.0
 &rst     iat =    28,    29,    32,    33,
   r1 = -121.0, r2 = -120.0, r3 = -10.0, r4 =  -9.0,
   rk2 =   5.0, rk3 =   5.0,    &end

# 4 ADE ALPHA:  (3 FAG O3')-(4 DA3 P)-(4 DA3 O5')-(4 DA3 C5') -120.0 -10.0
 &rst     iat =    90,    96,    99,   100,
   r1 = -121.0, r2 = -120.0, r3 = -10.0, r4 =  -9.0,
 &end

# 4 ADE BETA:  (4 DA3 P)-(4 DA3 O5')-(4 DA3 C5')-(4 DA3 C4')  50.0 280.0
 &rst     iat =    96,    99,   100,   103,
   r1 =  49.0, r2 =  50.0, r3 = 280.0, r4 = 281.0,
 &end

# 1 CYT GAMMA:  (1 DC5 O5')-(1 DC5 C5')-(1 DC5 C4')-(1 DC5 C3') -20.0 140.0
 &rst     iat =     2,     3,     6,    23,
   r1 = -21.0, r2 = -20.0, r3 = 140.0, r4 = 141.0,
 &end

# 3 GUA GAMMA:  (3 FAG O5')-(3 FAG C5')-(3 FAG C4')-(3 FAG C3') -20.0 140.0
 &rst     iat =    64,    65,    68,    85,
   r1 = -21.0, r2 = -20.0, r3 = 140.0, r4 = 141.0,
 &end

# 4 ADE GAMMA:  (4 DA3 O5')-(4 DA3 C5')-(4 DA3 C4')-(4 DA3 C3') -20.0 140.0
 &rst     iat =    99,   100,   103,   122,
   r1 = -21.0, r2 = -20.0, r3 = 140.0, r4 = 141.0,
 &end

# 1 CYT EPSILN:  (1 DC5 C4')-(1 DC5 C3')-(1 DC5 O3')-(2 DT P) -210.0  30.0
 &rst     iat =     6,    23,    28,    29,
   r1 = -211.0, r2 = -210.0, r3 =  30.0, r4 =  31.0,
 &end

# 1 CYT ZETA:  (1 DC5 C3')-(1 DC5 O3')-(2 DT P)-(2 DT O5') 150.0 330.0
 &rst     iat =    23,    28,    29,    32,
   r1 = 149.0, r2 = 150.0, r3 = 330.0, r4 = 331.0,
 &end

# 1 CYT CHI:  (1 DC5 O4')-(1 DC5 C1')-(1 DC5 N1)-(1 DC5 C2) 180.0 340.0
 &rst     iat =     8,     9,    11,    21,
   r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0,
 &end

# 2 THY CHI:  (2 DT O4')-(2 DT C1')-(2 DT N1)-(2 DT C2) 180.0 340.0
 &rst     iat =    38,    39,    41,    53,
   r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0,
 &end

# 4 ADE CHI:  (4 DA3 O4')-(4 DA3 C1')-(4 DA3 N9)-(4 DA3 C4) 180.0 340.0
 &rst     iat =   105,   106,   108,   121,
   r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0,
 &end

# 1 CYT NU0:  (1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2') -38.5  17.5
 &rst     iat =     6,     8,     9,    25,
   r1 = -39.5, r2 = -38.5, r3 =  17.5, r4 =  18.5,
 &end

# 1 CYT NU1:  (1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3') -26.7  38.5
 &rst     iat =     8,     9,    25,    23,
   r1 = -27.7, r2 = -26.7, r3 =  38.5, r4 =  39.5,
 &end

# 1 CYT NU2:  (1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4') -38.5  37.9
 &rst     iat =     9,    25,    23,     6,
   r1 = -39.5, r2 = -38.5, r3 =  37.9, r4 =  38.9,
 &end

# 1 CYT NU3:  (1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4') -38.5  38.5
 &rst     iat =    25,    23,     6,     8,
   r1 = -39.5, r2 = -38.5, r3 =  38.5, r4 =  39.5,
 &end

# 1 CYT NU4:  (1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1') -34.3  38.5
 &rst     iat =    23,     6,     8,     9,
   r1 = -35.3, r2 = -34.3, r3 =  38.5, r4 =  39.5,
 &end

# 3 GUA NU0:  (3 FAG C4')-(3 FAG O4')-(3 FAG C1')-(3 FAG C2') -23.7   8.0
 &rst     iat =    68,    70,    71,    87,
   r1 = -24.7, r2 = -23.7, r3 =   8.0, r4 =   9.0,
 &end

# 3 GUA NU1:  (3 FAG O4')-(3 FAG C1')-(3 FAG C2')-(3 FAG C3')  11.4  41.4
 &rst     iat =    70,    71,    87,    85,
   r1 =  10.4, r2 =  11.4, r3 =  41.4, r4 =  42.4,
 &end

# 3 GUA NU2:  (3 FAG C1')-(3 FAG C2')-(3 FAG C3')-(3 FAG C4') -50.9 -20.9
 &rst     iat =    71,    87,    85,    68,
   r1 = -51.9, r2 = -50.9, r3 = -20.9, r4 = -19.9,
 &end

# 3 GUA NU3:  (3 FAG C2')-(3 FAG C3')-(3 FAG C4')-(3 FAG O4')  14.9  44.9
 &rst     iat =    87,    85,    68,    70,
   r1 =  13.9, r2 =  14.9, r3 =  44.9, r4 =  45.9,
 &end

# 3 GUA NU4:  (3 FAG C3')-(3 FAG C4')-(3 FAG O4')-(3 FAG C1') -28.6   1.4
 &rst     iat =    85,    68,    70,    71,
   r1 = -29.6, r2 = -28.6, r3 =   1.4, r4 =   2.4,
 &end

# 4 ADE NU0:  (4 DA3 C4')-(4 DA3 O4')-(4 DA3 C1')-(4 DA3 C2') -23.7   8.0
 &rst     iat =   103,   105,   106,   124,
   r1 = -24.7, r2 = -23.7, r3 =   8.0, r4 =   9.0,
 &end

# 4 ADE NU1:  (4 DA3 O4')-(4 DA3 C1')-(4 DA3 C2')-(4 DA3 C3')  11.4  41.4
 &rst     iat =   105,   106,   124,   122,
   r1 =  10.4, r2 =  11.4, r3 =  41.4, r4 =  42.4,
 &end

# 4 ADE NU2:  (4 DA3 C1')-(4 DA3 C2')-(4 DA3 C3')-(4 DA3 C4') -50.9 -20.9
 &rst     iat =   106,   124,   122,   103,
   r1 = -51.9, r2 = -50.9, r3 = -20.9, r4 = -19.9,
 &end

# 4 ADE NU3:  (4 DA3 C2')-(4 DA3 C3')-(4 DA3 C4')-(4 DA3 O4')  14.9  44.9
 &rst     iat =   124,   122,   103,   105,
   r1 =  13.9, r2 =  14.9, r3 =  44.9, r4 =  45.9,
 &end

# 4 ADE NU4:  (4 DA3 C3')-(4 DA3 C4')-(4 DA3 O4')-(4 DA3 C1') -28.6   1.4
 &rst     iat =   122,   103,   105,   106,
   r1 = -29.6, r2 = -28.6, r3 =   1.4, r4 =   2.4,
 &end
#


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