NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type

512595 2lb4 cing 1-original 3 AMBER dihedral angle
# 578 atoms read from pdb file BPS2.pdb
# no data available due to overlap for G4 T5 G6

# 1 ADE NU0:  (1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2') -47.6 -17.6
 &rst     iat =     6,     8,     9,    27,
   r1 = -48.6, r2 = -47.6, r3 = -17.6, r4 = -16.6,
   rk2 =  50.0, rk3 =   50.0, /    

# 1 ADE NU1:  (1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3')  18.8  48.8
 &rst     iat =     8,     9,    27,    25,
   r1 =  17.8, r2 =  18.8, r3 =  48.8, r4 =  49.8,
   rk2 =  50.0, rk3 =   50.0,    /    

# 1 ADE NU2:  (1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4') -36.6  -6.6
 &rst     iat =     9,    27,    25,     6,
   r1 = -37.6, r2 = -36.6, r3 =  -6.6, r4 =  -5.6,
   rk2 =  50.0, rk3 =   50.0,    /    

# 1 ADE NU3:  (1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4') -15.0  18.1
 &rst     iat =    27,    25,     6,     8,
   r1 = -16.0, r2 = -15.0, r3 =  18.1, r4 =  19.1,
   rk2 =  50.0, rk3 =   50.0,    /    

# 1 ADE NU4:  (1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1')   4.2  34.2
 &rst     iat =    25,     6,     8,     9,
   r1 =   3.2, r2 =   4.2, r3 =  34.2, r4 =  35.2,
   rk2 =  50.0, rk3 =   50.0,    /    

# 2 THY NU0:  (2 DT C4')-(2 DT O4')-(2 DT C1')-(2 DT C2') -42.6 -12.6
 &rst     iat =    38,    40,    41,    59,
   r1 = -43.6, r2 = -42.6, r3 = -12.6, r4 = -11.6,
   rk2 =  50.0, rk3 =   50.0,    /    

# 2 THY NU1:  (2 DT O4')-(2 DT C1')-(2 DT C2')-(2 DT C3')  21.6  51.6
 &rst     iat =    40,    41,    59,    57,
   r1 =  20.6, r2 =  21.6, r3 =  51.6, r4 =  52.6,
   rk2 =  50.0, rk3 =   50.0,    /    

# 2 THY NU2:  (2 DT C1')-(2 DT C2')-(2 DT C3')-(2 DT C4') -44.4 -14.4
 &rst     iat =    41,    59,    57,    38,
   r1 = -45.4, r2 = -44.4, r3 = -14.4, r4 = -13.4,
   rk2 =  50.0, rk3 =   50.0,    /    

# 2 THY NU3:  (2 DT C2')-(2 DT C3')-(2 DT C4')-(2 DT O4')  -2.6  27.4
 &rst     iat =    59,    57,    38,    40,
   r1 =  -3.6, r2 =  -2.6, r3 =  27.4, r4 =  28.4,
   rk2 =  50.0, rk3 =   50.0,    /    

# 2 THY NU4:  (2 DT C3')-(2 DT C4')-(2 DT O4')-(2 DT C1')  -5.5  24.5
 &rst     iat =    57,    38,    40,    41,
   r1 =  -6.5, r2 =  -5.5, r3 =  24.5, r4 =  25.5,
   rk2 =  50.0, rk3 =   50.0,    /    

# 3 GUA NU0:  (3 DG C4')-(3 DG O4')-(3 DG C1')-(3 DG C2') -40.2 -10.2
 &rst     iat =    70,    72,    73,    92,
   r1 = -41.2, r2 = -40.2, r3 = -10.2, r4 =  -9.2,
   rk2 =  50.0, rk3 =   50.0,    /    

# 3 GUA NU1:  (3 DG O4')-(3 DG C1')-(3 DG C2')-(3 DG C3')  19.2  49.2
 &rst     iat =    72,    73,    92,    90,
   r1 =  18.2, r2 =  19.2, r3 =  49.2, r4 =  50.2,
   rk2 =  50.0, rk3 =   50.0,    /    

# 3 GUA NU2:  (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') -39.2  -9.2
 &rst     iat =    73,    92,    90,    70,
   r1 = -40.2, r2 = -39.2, r3 =  -9.2, r4 =  -8.2,
   rk2 =  50.0, rk3 =   50.0,    /    

# 3 GUA NU3:  (3 DG C2')-(3 DG C3')-(3 DG C4')-(3 DG O4') -13.8  31.1
 &rst     iat =    92,    90,    70,    72,
   r1 = -14.8, r2 = -13.8, r3 =  31.1, r4 =  32.1,
   rk2 =  50.0, rk3 =   50.0,    /    

# 3 GUA NU4:  (3 DG C3')-(3 DG C4')-(3 DG O4')-(3 DG C1') -11.8  32.3
 &rst     iat =    90,    70,    72,    73,
   r1 = -12.8, r2 = -11.8, r3 =  32.3, r4 =  33.3,
   rk2 =  50.0, rk3 =   50.0,    /    
#========================================================================
# 7 CYT NU0:  (7 DC C4')-(7 DC O4')-(7 DC C1')-(7 DC C2') -20.7   9.3
 &rst     iat =   204,   206,   207,   223,
   r1 = -21.7, r2 = -20.7, r3 =   9.3, r4 =  10.3,
   rk2 =  50.0, rk3 =   50.0,    /    

# 7 CYT NU1:  (7 DC O4')-(7 DC C1')-(7 DC C2')-(7 DC C3') -31.6  -1.6
 &rst     iat =   206,   207,   223,   221,
   r1 = -32.6, r2 = -31.6, r3 =  -1.6, r4 =  -0.6,
   rk2 =  50.0, rk3 =   50.0,    /    

# 7 CYT NU2:  (7 DC C1')-(7 DC C2')-(7 DC C3')-(7 DC C4')  17.6  47.6
 &rst     iat =   207,   223,   221,   204,
   r1 =  16.6, r2 =  17.6, r3 =  47.6, r4 =  48.6,
   rk2 =  50.0, rk3 =   50.0,    /    

# 7 CYT NU3:  (7 DC C2')-(7 DC C3')-(7 DC C4')-(7 DC O4') -51.4 -21.4
 &rst     iat =   223,   221,   204,   206,
   r1 = -52.4, r2 = -51.4, r3 = -21.4, r4 = -20.4,
   rk2 =  50.0, rk3 =   50.0,    /    

# 7 CYT NU4:  (7 DC C3')-(7 DC C4')-(7 DC O4')-(7 DC C1')  10.9  40.9
 &rst     iat =   221,   204,   206,   207,
   r1 =   9.9, r2 =  10.9, r3 =  40.9, r4 =  41.9,
   rk2 =  50.0, rk3 =   50.0,    /    

# 8 THY NU0:  (8 DT C4')-(8 DT O4')-(8 DT C1')-(8 DT C2') -47.2 -17.2
 &rst     iat =   234,   236,   237,   255,
   r1 = -48.2, r2 = -47.2, r3 = -17.2, r4 = -16.2,
   rk2 =  50.0, rk3 =   50.0,    /    

# 8 THY NU1:  (8 DT O4')-(8 DT C1')-(8 DT C2')-(8 DT C3')  21.1  51.1
 &rst     iat =   236,   237,   255,   253,
   r1 =  20.1, r2 =  21.1, r3 =  51.1, r4 =  52.1,
   rk2 =  50.0, rk3 =   50.0,    /    

# 8 THY NU2:  (8 DT C1')-(8 DT C2')-(8 DT C3')-(8 DT C4') -40.6 -10.6
 &rst     iat =   237,   255,   253,   234,
   r1 = -41.6, r2 = -40.6, r3 = -10.6, r4 =  -9.6,
   rk2 =  50.0, rk3 =   50.0,    /    

# 8 THY NU3:  (8 DT C2')-(8 DT C3')-(8 DT C4')-(8 DT O4')  -9.3  20.7
 &rst     iat =   255,   253,   234,   236,
   r1 = -10.3, r2 =  -9.3, r3 =  20.7, r4 =  21.7,
   rk2 =  50.0, rk3 =   50.0,    /    

# 8 THY NU4:  (8 DT C3')-(8 DT C4')-(8 DT O4')-(8 DT C1')   1.5  31.5
 &rst     iat =   253,   234,   236,   237,
   r1 =   0.5, r2 =   1.5, r3 =  31.5, r4 =  32.5,
   rk2 =  50.0, rk3 =   50.0,    /    

# 9 CYT NU0:  (9 DC3 C4')-(9 DC3 O4')-(9 DC3 C1')-(9 DC3 C2') -47.9 -17.9
 &rst     iat =   266,   268,   269,   285,
   r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9,
   rk2 =  50.0, rk3 =   50.0,    /    

# 9 CYT NU1:  (9 DC3 O4')-(9 DC3 C1')-(9 DC3 C2')-(9 DC3 C3')  15.6  45.6
 &rst     iat =   268,   269,   285,   283,
   r1 =  14.6, r2 =  15.6, r3 =  45.6, r4 =  46.6,
   rk2 =  50.0, rk3 =   50.0,    /    

# 9 CYT NU2:  (9 DC3 C1')-(9 DC3 C2')-(9 DC3 C3')-(9 DC3 C4') -34.3   0.0
 &rst     iat =   269,   285,   283,   266,
   r1 = -35.3, r2 = -34.3, r3 =   0.0, r4 =   1.0,
   rk2 =  50.0, rk3 =   50.0,    /    

# 9 CYT NU3:  (9 DC3 C2')-(9 DC3 C3')-(9 DC3 C4')-(9 DC3 O4') -22.6  17.5
 &rst     iat =   285,   283,   266,   268,
   r1 = -23.6, r2 = -22.6, r3 =  17.5, r4 =  18.5,
   rk2 =  50.0, rk3 =   50.0,    /    

# 9 CYT NU4:  (9 DC3 C3')-(9 DC3 C4')-(9 DC3 O4')-(9 DC3 C1')   6.1  36.6
 &rst     iat =   283,   266,   268,   269,
   r1 =   5.1, r2 =   6.1, r3 =  36.6, r4 =  37.6,
   rk2 =  50.0, rk3 =   50.0,    /
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Contact the webmaster for help, if required. Saturday, May 4, 2024 4:26:17 PM GMT (wattos1)
image	mrblock_id	pdb_id	cing	stage	position	program	type
	512595	2lb4	cing	1-original	3	AMBER	dihedral angle