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

608176 5lig 34025 cing 1-original 2 AMBER dihedral angle
#Torsion angle restraint
#
# 1 THY CHI:  (1 DT5 O4')-(1 DT5 C1')-(1 DT5 N1)-(1 DT5 C2) 200.0 280.0
 &rst     iat =     8,     9,    11,    23,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	  rk2 =   200.0, rk3 =   200.0,				&end

# 2 ADE CHI:  (2 DA O4')-(2 DA C1')-(2 DA N9)-(2 DA C4) 200.0 280.0
 &rst     iat =    40,    41,    43,    56,
	  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) 200.0 280.0
 &rst     iat =    72,    73,    75,    89,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 4 GUA CHI:  (4 DG O4')-(4 DG C1')-(4 DG N9)-(4 DG C4) 200.0 280.0
 &rst     iat =   105,   106,   108,   122,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 5 GUA CHI:  (5 DG O4')-(5 DG C1')-(5 DG N9)-(5 DG C4) 200.0 280.0
 &rst     iat =   138,   139,   141,   155,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 6 ADE CHI:  (6 DA O4')-(6 DA C1')-(6 DA N9)-(6 DA C4) 200.0 280.0
 &rst     iat =   171,   172,   174,   187,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 7 GUA CHI:  (7 DG O4')-(7 DG C1')-(7 DG N9)-(7 DG C4) 200.0 280.0
 &rst     iat =   203,   204,   206,   220,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 8 GUA CHI:  (8 DG O4')-(8 DG C1')-(8 DG N9)-(8 DG C4) 200.0 280.0
 &rst     iat =   236,   237,   239,   253,
	  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) 200.0 280.0
 &rst     iat =   269,   270,   272,   286,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 10 THY CHI:  (10 DT O4')-(10 DT C1')-(10 DT N1)-(10 DT C2) 200.0 280.0
 &rst     iat =   302,   303,   305,   317,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 11 ADE CHI:  (11 DA O4')-(11 DA C1')-(11 DA N9)-(11 DA C4) 200.0 280.0
 &rst     iat =   334,   335,   337,   350,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 12 GUA CHI:  (12 DG O4')-(12 DG C1')-(12 DG N9)-(12 DG C4) 200.0 280.0
 &rst     iat =   366,   367,   369,   383,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 13 GUA CHI:  (13 DG O4')-(13 DG C1')-(13 DG N9)-(13 DG C4) 200.0 280.0
 &rst     iat =   399,   400,   402,   416,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 14 GUA CHI:  (14 DG O4')-(14 DG C1')-(14 DG N9)-(14 DG C4) 200.0 280.0
 &rst     iat =   432,   433,   435,   449,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 15 ADE CHI:  (15 DA O4')-(15 DA C1')-(15 DA N9)-(15 DA C4) 200.0 280.0
 &rst     iat =   465,   466,   468,   481,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 16 GUA CHI:  (16 DG O4')-(16 DG C1')-(16 DG N9)-(16 DG C4) 200.0 280.0
 &rst     iat =   497,   498,   500,   514,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 17 GUA CHI:  (17 DG O4')-(17 DG C1')-(17 DG N9)-(17 DG C4) 200.0 280.0
 &rst     iat =   530,   531,   533,   547,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 18 GUA CHI:  (18 DG O4')-(18 DG C1')-(18 DG N9)-(18 DG C4) 200.0 280.0
 &rst     iat =   563,   564,   566,   580,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 19 THY CHI:  (19 DT3 O4')-(19 DT3 C1')-(19 DT3 N1)-(19 DT3 C2) 200.0 280.0
 &rst     iat =   596,   597,   599,   611,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 19 THY CHI:  (19 DT3 O4')-(19 DT3 C1')-(19 DT3 N1)-(19 DT3 C2) 200.0 280.0
 &rst     iat =   596,   597,   599,   611,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 1 THY EPSILON:  (1 DT5 C4')-(1 DT5 C3')-(1 DT5 O3')-(2 DA P) 170.0 290.0
 &rst     iat =     6,    25,    30,    31,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 2 ADE EPSILON:  (2 DA C4')-(2 DA C3')-(2 DA O3')-(3 DG P) 170.0 290.0
 &rst     iat =    38,    57,    62,    63,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 3 GUA EPSILON:  (3 DG C4')-(3 DG C3')-(3 DG O3')-(4 DG P) 170.0 290.0
 &rst     iat =    70,    90,    95,    96,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 4 GUA EPSILON:  (4 DG C4')-(4 DG C3')-(4 DG O3')-(5 DG P) 170.0 290.0
 &rst     iat =   103,   123,   128,   129,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 5 GUA EPSILON:  (5 DG C4')-(5 DG C3')-(5 DG O3')-(6 DA P) 170.0 290.0
 &rst     iat =   136,   156,   161,   162,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 6 ADE EPSILON:  (6 DA C4')-(6 DA C3')-(6 DA O3')-(7 DG P) 170.0 290.0
 &rst     iat =   169,   188,   193,   194,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 7 GUA EPSILON:  (7 DG C4')-(7 DG C3')-(7 DG O3')-(8 DG P) 170.0 290.0
 &rst     iat =   201,   221,   226,   227,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 8 GUA EPSILON:  (8 DG C4')-(8 DG C3')-(8 DG O3')-(9 DG P) 170.0 290.0
 &rst     iat =   234,   254,   259,   260,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 9 GUA EPSILON:  (9 DG C4')-(9 DG C3')-(9 DG O3')-(10 DT P) 170.0 290.0
 &rst     iat =   267,   287,   292,   293,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 10 THY EPSILON:  (10 DT C4')-(10 DT C3')-(10 DT O3')-(11 DA P) 170.0 290.0
 &rst     iat =   300,   319,   324,   325,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 11 ADE EPSILON:  (11 DA C4')-(11 DA C3')-(11 DA O3')-(12 DG P) 170.0 290.0
 &rst     iat =   332,   351,   356,   357,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 12 GUA EPSILON:  (12 DG C4')-(12 DG C3')-(12 DG O3')-(13 DG P) 170.0 290.0
 &rst     iat =   364,   384,   389,   390,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 13 GUA EPSILON:  (13 DG C4')-(13 DG C3')-(13 DG O3')-(14 DG P) 170.0 290.0
 &rst     iat =   397,   417,   422,   423,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 14 GUA EPSILON:  (14 DG C4')-(14 DG C3')-(14 DG O3')-(15 DA P) 170.0 290.0
 &rst     iat =   430,   450,   455,   456,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 15 ADE EPSILON:  (15 DA C4')-(15 DA C3')-(15 DA O3')-(16 DG P) 170.0 290.0
 &rst     iat =   463,   482,   487,   488,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 16 GUA EPSILON:  (16 DG C4')-(16 DG C3')-(16 DG O3')-(17 DG P) 170.0 290.0
 &rst     iat =   495,   515,   520,   521,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 17 GUA EPSILON:  (17 DG C4')-(17 DG C3')-(17 DG O3')-(18 DG P) 170.0 290.0
 &rst     iat =   528,   548,   553,   554,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 18 GUA EPSILON:  (18 DG C4')-(18 DG C3')-(18 DG O3')-(19 DT3 P) 170.0 290.0
 &rst     iat =   561,   581,   586,   587,
	  r1 = 169.0, r2 = 170.0, r3 = 290.0, r4 = 291.0,
	&end

# 1 THY NU2:  (1 DT5 C1')-(1 DT5 C2')-(1 DT5 C3')-(1 DT5 C4') -40.0 -20.0
 &rst     iat =     9,    27,    25,     6,
	  r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
	&end

# 2 ADE NU2:  (2 DA C1')-(2 DA C2')-(2 DA C3')-(2 DA C4') -40.0 -20.0
 &rst     iat =    41,    59,    57,    38,
	  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 =    73,    92,    90,    70,
	  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 =   106,   125,   123,   103,
	  r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
	&end

# 5 GUA NU2:  (5 DG C1')-(5 DG C2')-(5 DG C3')-(5 DG C4') -40.0 -20.0
 &rst     iat =   139,   158,   156,   136,
	  r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
	&end

# 6 ADE NU2:  (6 DA C1')-(6 DA C2')-(6 DA C3')-(6 DA C4') -40.0 -20.0
 &rst     iat =   172,   190,   188,   169,
	  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 =   204,   223,   221,   201,
	  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 =   237,   256,   254,   234,
	  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 =   270,   289,   287,   267,
	  r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
	&end

# 10 THY NU2:  (10 DT C1')-(10 DT C2')-(10 DT C3')-(10 DT C4') -40.0 -20.0
 &rst     iat =   303,   321,   319,   300,
	  r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
	&end

# 11 ADE NU2:  (11 DA C1')-(11 DA C2')-(11 DA C3')-(11 DA C4') -40.0 -20.0
 &rst     iat =   335,   353,   351,   332,
	  r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
	&end

# 12 GUA NU2:  (12 DG C1')-(12 DG C2')-(12 DG C3')-(12 DG C4') -40.0 -20.0
 &rst     iat =   367,   386,   384,   364,
	  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 =   400,   419,   417,   397,
	  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 =   433,   452,   450,   430,
	  r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
	&end

# 15 ADE NU2:  (15 DA C1')-(15 DA C2')-(15 DA C3')-(15 DA C4') -40.0 -20.0
 &rst     iat =   466,   484,   482,   463,
	  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 =   498,   517,   515,   495,
	  r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
	&end

# 17 GUA NU2:  (17 DG C1')-(17 DG C2')-(17 DG C3')-(17 DG C4') -40.0 -20.0
 &rst     iat =   531,   550,   548,   528,
	  r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
	&end

# 18 GUA NU2:  (18 DG C1')-(18 DG C2')-(18 DG C3')-(18 DG C4') -40.0 -20.0
 &rst     iat =   564,   583,   581,   561,
	  r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
	&end

# 19 THY NU2:  (19 DT3 C1')-(19 DT3 C2')-(19 DT3 C3')-(19 DT3 C4') -40.0 -20.0
 &rst     iat =   597,   615,   613,   594,
	  r1 = -41.0, r2 = -40.0, r3 = -20.0, r4 = -19.0,
	&end# Restraints file 3: amber.crd
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image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	608176	5lig	34025	cing	1-original	2	AMBER	dihedral angle