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

616741 5m4w 34056 cing 1-original 2 AMBER dihedral angle
#
## Restraints file 2: CHI_rst.txt
# CHI rst
#
#
# 1 DG CHI:  (1 DG5 O4')-(1 DG5 C1')-(1 DG5 N9)-(1 DG5 C4) 200.0 280.0
 &rst     iat =     8,     9,    11,    25,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	  rk2 =  500.0, rk3 =  500.0,				&end

# 2 DC CHI:  (2 DC O4')-(2 DC C1')-(2 DC N1)-(2 DC C2) 170.0 300.0
 &rst     iat =    41,    42,    44,    54,
	  r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0,
	&end

# 3 DG CHI:  (3 DG O4')-(3 DG C1')-(3 DG N9)-(3 DG C4) 200.0 280.0
 &rst     iat =    71,    72,    74,    88,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 4 DA CHI:  (4 DA O4')-(4 DA C1')-(4 DA N9)-(4 DA C4) 200.0 280.0
 &rst     iat =   104,   105,   107,   120,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 5 DG CHI:  (5 DG O4')-(5 DG C1')-(5 DG N9)-(5 DG C4) 200.0 280.0
 &rst     iat =   136,   137,   139,   153,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 6 DG CHI:  (6 DG O4')-(6 DG C1')-(6 DG N9)-(6 DG C4) 200.0 280.0
 &rst     iat =   169,   170,   172,   186,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 7 DG CHI:  (7 DG O4')-(7 DG C1')-(7 DG N9)-(7 DG C4) 200.0 280.0
 &rst     iat =   202,   203,   205,   219,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 8 DA CHI:  (8 DA O4')-(8 DA C1')-(8 DA N9)-(8 DA C4) 200.0 280.0
 &rst     iat =   235,   236,   238,   251,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 9 DG CHI:  (9 DG O4')-(9 DG C1')-(9 DG N9)-(9 DG C4) 200.0 280.0
 &rst     iat =   267,   268,   270,   284,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 10 DC CHI:  (10 DC O4')-(10 DC C1')-(10 DC N1)-(10 DC C2) 170.0 300.0
 &rst     iat =   300,   301,   303,   313,
	  r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0,
	&end

# 11 DG CHI:  (11 DI O4')-(11 DI C1')-(11 DI N9)-(11 DI C4) 200.0 280.0
 &rst     iat =   330,   331,   333,   345,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 12 DA CHI:  (12 DA O4')-(12 DA C1')-(12 DA N9)-(12 DA C4) 200.0 280.0
 &rst     iat =   361,   362,   364,   377,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 13 DG CHI:  (13 DG O4')-(13 DG C1')-(13 DG N9)-(13 DG C4) 200.0 280.0
 &rst     iat =   393,   394,   396,   410,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 14 DG CHI:  (14 DG O4')-(14 DG C1')-(14 DG N9)-(14 DG C4) 200.0 280.0
 &rst     iat =   426,   427,   429,   443,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 15 DG CHI:  (15 DG3 O4')-(15 DG3 C1')-(15 DG3 N9)-(15 DG3 C4) 200.0 280.0
 &rst     iat =   459,   460,   462,   476,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 16 DG CHI:  (16 DG5 O4')-(16 DG5 C1')-(16 DG5 N9)-(16 DG5 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 DC CHI:  (17 DC O4')-(17 DC C1')-(17 DC N1)-(17 DC C2) 170.0 300.0
 &rst     iat =   524,   525,   527,   537,
	  r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0,
	&end

# 18 DG CHI:  (18 DG O4')-(18 DG C1')-(18 DG N9)-(18 DG C4) 200.0 280.0
 &rst     iat =   554,   555,   557,   571,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 19 DA CHI:  (19 DA O4')-(19 DA C1')-(19 DA N9)-(19 DA C4) 200.0 280.0
 &rst     iat =   587,   588,   590,   603,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 20 DG CHI:  (20 DG O4')-(20 DG C1')-(20 DG N9)-(20 DG C4) 200.0 280.0
 &rst     iat =   619,   620,   622,   636,
	  r1 = 199.0, r2 = 200.0, r3 = 300.0, r4 = 301.0,
	&end

# 21 DG CHI:  (21 DG O4')-(21 DG C1')-(21 DG N9)-(21 DG C4) 200.0 280.0
 &rst     iat =   652,   653,   655,   669,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 22 DG CHI:  (22 DG O4')-(22 DG C1')-(22 DG N9)-(22 DG C4) 200.0 280.0
 &rst     iat =   685,   686,   688,   702,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 23 DA CHI:  (23 DA O4')-(23 DA C1')-(23 DA N9)-(23 DA C4) 200.0 280.0
 &rst     iat =   718,   719,   721,   734,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 24 DG CHI:  (24 DG O4')-(24 DG C1')-(24 DG N9)-(24 DG C4) 200.0 280.0
 &rst     iat =   750,   751,   753,   767,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 25 DC CHI:  (25 DC O4')-(25 DC C1')-(25 DC N1)-(25 DC C2) 170.0 300.0
 &rst     iat =   783,   784,   786,   796,
	  r1 = 169.0, r2 = 170.0, r3 = 300.0, r4 = 301.0,
	&end

# 26 DG CHI:  (26 DI O4')-(26 DI C1')-(26 DI N9)-(26 DI C4) 200.0 280.0
 &rst     iat =   813,   814,   816,   828,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 27 DA CHI:  (27 DA O4')-(27 DA C1')-(27 DA N9)-(27 DA C4) 200.0 280.0
 &rst     iat =   844,   845,   847,   860,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 28 DG CHI:  (28 DG O4')-(28 DG C1')-(28 DG N9)-(28 DG C4) 200.0 280.0
 &rst     iat =   876,   877,   879,   893,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 29 DG CHI:  (29 DG O4')-(29 DG C1')-(29 DG N9)-(29 DG C4) 200.0 280.0
 &rst     iat =   909,   910,   912,   926,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 30 DG CHI:  (30 DG3 O4')-(30 DG3 C1')-(30 DG3 N9)-(30 DG3 C4) 200.0 280.0
 &rst     iat =   942,   943,   945,   959,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end# Restraints file 3: H_bond_1.txt
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image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	616741	5m4w	34056	cing	1-original	2	AMBER	dihedral angle