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

594991 2n2d 25596 cing 1-original 2 AMBER dihedral angle
#NU2 torsion angle restraints 
# 
# 
# 707 atoms read from pdb file J2.001.pdb.
# 1 GUA NU2:  (1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4') -40.0 -20.0
 &rst     iat =     9,    28,    26,     6,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
   rk2 =   200.0, rk3 =   200.0,    &end

# 2 GUA NU2:  (2 DG C1')-(2 DG C2')-(2 DG C3')-(2 DG C4') -40.0 -20.0
 &rst     iat =    42,    61,    59,    39,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 3 GUA NU2:  (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') -40.0 -20.0
 &rst     iat =    75,    94,    92,    72,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 4 GUA NU2:  (4 DG C1')-(4 DG C2')-(4 DG C3')-(4 DG C4') -40.0 -20.0
 &rst     iat =   108,   127,   125,   105,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 5 CYT NU2:  (5 DC C1')-(5 DC C2')-(5 DC C3')-(5 DC C4') -320.0  20.0
 &rst     iat =   141,   157,   155,   138,
   r1 = -321.0, r2 = -320.0, r3 =  20.0, r4 =  21.0,
 &end

# 6 CYT NU2:  (6 DC C1')-(6 DC C2')-(6 DC C3')-(6 DC C4') -40.0 -20.0
 &rst     iat =   171,   187,   185,   168,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 7 GUA NU2:  (7 DG C1')-(7 DG C2')-(7 DG C3')-(7 DG C4') -40.0 -20.0
 &rst     iat =   201,   220,   218,   198,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 8 GUA NU2:  (8 DG C1')-(8 DG C2')-(8 DG C3')-(8 DG C4') -40.0 -20.0
 &rst     iat =   234,   253,   251,   231,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 9 GUA NU2:  (9 DG C1')-(9 DG C2')-(9 DG C3')-(9 DG C4') -40.0 -20.0
 &rst     iat =   267,   286,   284,   264,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 10 GUA NU2:  (10 DG C1')-(10 DG C2')-(10 DG C3')-(10 DG C4') -40.0 -20.0
 &rst     iat =   300,   319,   317,   297,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 11 CYT NU2:  (11 DC C1')-(11 DC C2')-(11 DC C3')-(11 DC C4') -40.0 -20.0
 &rst     iat =   333,   349,   347,   330,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 12 CYT NU2:  (12 DC C1')-(12 DC C2')-(12 DC C3')-(12 DC C4') -40.0 -20.0
 &rst     iat =   363,   379,   377,   360,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 13 GUA NU2:  (13 DG C1')-(13 DG C2')-(13 DG C3')-(13 DG C4') -40.0 -20.0
 &rst     iat =   393,   412,   410,   390,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 14 GUA NU2:  (14 DG C1')-(14 DG C2')-(14 DG C3')-(14 DG C4') -40.0 -20.0
 &rst     iat =   426,   445,   443,   423,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 15 GUA NU2:  (15 DG C1')-(15 DG C2')-(15 DG C3')-(15 DG C4') -40.0 -20.0
 &rst     iat =   459,   478,   476,   456,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 16 GUA NU2:  (16 DG C1')-(16 DG C2')-(16 DG C3')-(16 DG C4') -40.0 -20.0
 &rst     iat =   492,   511,   509,   489,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 17 CYT NU2:  (17 DC C1')-(17 DC C2')-(17 DC C3')-(17 DC C4') -320.0  20.0
 &rst     iat =   525,   541,   539,   522,
   r1 = -321.0, r2 = -320.0, r3 =  20.0, r4 =  21.0,
 &end

# 18 CYT NU2:  (18 DC C1')-(18 DC C2')-(18 DC C3')-(18 DC C4') -40.0 -20.0
 &rst     iat =   555,   571,   569,   552,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 19 GUA NU2:  (19 DG C1')-(19 DG C2')-(19 DG C3')-(19 DG C4') -40.0 -20.0
 &rst     iat =   585,   604,   602,   582,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 20 GUA NU2:  (20 DG C1')-(20 DG C2')-(20 DG C3')-(20 DG C4') -40.0 -20.0
 &rst     iat =   618,   637,   635,   615,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end

# 21 GUA NU2:  (21 BG C1')-(21 BG C2')-(21 BG C3')-(21 BG C4') -40.0 -20.0
 &rst     iat =   651,   670,   668,   648,
   r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
 &end
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#
#CHI torsion angle restraints
#
#
# 707 atoms read from pdb file J1.002.pdb.
# 1 GUA CHI:  (1 DG5 O4')-(1 DG5 C1')-(1 DG5 N9)-(1 DG5 C4)  25.0  95.0
 &rst     iat =     8,     9,    11,    25,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
   rk2 =   20.0, rk3 =   20.0,    &end

# 2 GUA CHI:  (2 DG O4')-(2 DG C1')-(2 DG N9)-(2 DG C4) 200.0 280.0
 &rst     iat =    41,    42,    44,    58,
   r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
 &end

# 3 GUA CHI:  (3 DG O4')-(3 DG C1')-(3 DG N9)-(3 DG C4)  25.0  95.0
 &rst     iat =    74,    75,    77,    91,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 4 GUA CHI:  (4 DG O4')-(4 DG C1')-(4 DG N9)-(4 DG C4) 200.0 280.0
 &rst     iat =   107,   108,   110,   124,
   r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
 &end

# 5 CYT CHI:  (5 DC O4')-(5 DC C1')-(5 DC N1)-(5 DC C2) 170.0 310.0
 &rst     iat =   140,   141,   143,   153,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 6 CYT CHI:  (6 DC O4')-(6 DC C1')-(6 DC N1)-(6 DC C2) 170.0 310.0
 &rst     iat =   170,   171,   173,   183,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 7 GUA CHI:  (7 DG O4')-(7 DG C1')-(7 DG N9)-(7 DG C4)  25.0  95.0
 &rst     iat =   200,   201,   203,   217,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 8 GUA CHI:  (8 DG O4')-(8 DG C1')-(8 DG N9)-(8 DG C4) 200.0 280.0
 &rst     iat =   233,   234,   236,   250,
   r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
 &end

# 9 GUA CHI:  (9 DG O4')-(9 DG C1')-(9 DG N9)-(9 DG C4)  25.0  95.0
 &rst     iat =   266,   267,   269,   283,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 10 GUA CHI:  (10 DG O4')-(10 DG C1')-(10 DG N9)-(10 DG C4) 200.0 280.0
 &rst     iat =   299,   300,   302,   316,
   r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
 &end

# 11 CYT CHI:  (11 DC O4')-(11 DC C1')-(11 DC N1)-(11 DC C2) 170.0 310.0
 &rst     iat =   332,   333,   335,   345,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 12 CYT CHI:  (12 DC O4')-(12 DC C1')-(12 DC N1)-(12 DC C2) 170.0 310.0
 &rst     iat =   362,   363,   365,   375,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 13 GUA CHI:  (13 DG O4')-(13 DG C1')-(13 DG N9)-(13 DG C4)  25.0  95.0
 &rst     iat =   392,   393,   395,   409,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 14 GUA CHI:  (14 DG O4')-(14 DG C1')-(14 DG N9)-(14 DG C4) 200.0 280.0
 &rst     iat =   425,   426,   428,   442,
   r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
 &end

# 15 GUA CHI:  (15 DG O4')-(15 DG C1')-(15 DG N9)-(15 DG C4)  25.0  95.0
 &rst     iat =   458,   459,   461,   475,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 16 GUA CHI:  (16 DG O4')-(16 DG C1')-(16 DG N9)-(16 DG C4) 200.0 280.0
 &rst     iat =   491,   492,   494,   508,
   r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
 &end

# 17 CYT CHI:  (17 DC O4')-(17 DC C1')-(17 DC N1)-(17 DC C2) 170.0 310.0
 &rst     iat =   524,   525,   527,   537,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 18 CYT CHI:  (18 DC O4')-(18 DC C1')-(18 DC N1)-(18 DC C2) 170.0 310.0
 &rst     iat =   554,   555,   557,   567,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 19 GUA CHI:  (19 DG O4')-(19 DG C1')-(19 DG N9)-(19 DG C4)  25.0  95.0
 &rst     iat =   584,   585,   587,   601,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 20 GUA CHI:  (20 DG O4')-(20 DG C1')-(20 DG N9)-(20 DG C4) 200.0 280.0
 &rst     iat =   617,   618,   620,   634,
   r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
 &end

# 21 GUA CHI:  (21 DG O4')-(21 DG C1')-(21 DG N9)-(21 DG C4)  25.0  95.0
 &rst     iat =   650,   651,   653,   667,
   r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
 &end

# 22 GUA CHI:  (22 DG3 O4')-(22 DG3 C1')-(22 DG3 N9)-(22 DG3 C4) 200.0 280.0
 &rst     iat =   683,   684,   686,   700,
   r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
 &end

# 22 GUA CHI:  (22 DG3 O4')-(22 DG3 C1')-(22 DG3 N9)-(22 DG3 C4) 200.0 280.0
 &rst     iat =   683,   684,   686,   700,
   r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
 &end

# 22 GUA CHI:  (22 DG3 O4')-(22 DG3 C1')-(22 DG3 N9)-(22 DG3 C4) 200.0 280.0
 &rst     iat =   683,   684,   686,   700,
   r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
 &end
#
#
#
#
# 
#
Please acknowledge these references in publications where the data from this site have been utilized.
Contact the webmaster for help, if required. Saturday, May 18, 2024 3:37:47 PM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	594991	2n2d	25596	cing	1-original	2	AMBER	dihedral angle