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

565357 2m53 19035 cing 1-original 3 AMBER dihedral angle
#TORSION ANGLE CHI
# 1 THY CHI:  (1 DT5 O4')-(1 DT5 C1')-(1 DT5 N1)-(1 DT5 C2) 170.0 310.0
 &rst     iat =     8,     9,    11,    23,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
   rk2 =   250.0, rk3 =   250.0,    &end

# 2 GUA CHI:  (2 DG O4')-(2 DG C1')-(2 DG N9)-(2 DG C4) 170.0 310.0
 &rst     iat =    40,    41,    43,    57,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 3 THY CHI:  (3 DT O4')-(3 DT C1')-(3 DT N1)-(3 DT C2) 170.0 310.0
 &rst     iat =    73,    74,    76,    88,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, 
 &end

# 4 GUA CHI:  (4 DG O4')-(4 DG C1')-(4 DG N9)-(4 DG C4) 170.0 310.0
 &rst     iat =   105,   106,   108,   122,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, 
 &end

# 5 G1L CHI:  (5 G1L O4')-(5 G1L C1')-(5 G1L N9)-(5 G1L C4) 170.0 310.0
 &rst     iat =   137,   138,   145,   157,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 6 GUA CHI:  (6 DG O4')-(6 DG C1')-(6 DG N9)-(6 DG C4) 170.0 310.0
 &rst     iat =   173,   174,   176,   190,
   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) 170.0 310.0
 &rst     iat =   206,   207,   209,   223,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,  
 &end

# 8 GUA CHI:  (8 DG O4')-(8 DG C1')-(8 DG N9)-(8 DG C4) 170.0 310.0
 &rst     iat =   239,   240,   242,   256,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, 
 &end

# 9 THY CHI:  (9 DT O4')-(9 DT C1')-(9 DT N1)-(9 DT C2) 170.0 310.0
 &rst     iat =   272,   273,   275,   287,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, 
 &end

# 10 GUA CHI:  (10 DG O4')-(10 DG C1')-(10 DG N9)-(10 DG C4) 170.0 310.0
 &rst     iat =   304,   305,   307,   321,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 11 GUA CHI:  (11 DG O4')-(11 DG C1')-(11 DG N9)-(11 DG C4) 170.0 310.0
 &rst     iat =   337,   338,   340,   354,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, 
 &end

# 12 ADE CHI:  (12 DA O4')-(12 DA C1')-(12 DA N9)-(12 DA C4) 170.0 310.0
 &rst     iat =   370,   371,   373,   386,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 13 CYT CHI:  (13 DC O4')-(13 DC C1')-(13 DC N1)-(13 DC C2) 170.0 310.0
 &rst     iat =   402,   403,   405,   415,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, 
 &end

# 14 GUA CHI:  (14 DG O4')-(14 DG C1')-(14 DG N9)-(14 DG C4) 170.0 310.0
 &rst     iat =   432,   433,   435,   449,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 15 GUA CHI:  (15 DG O4')-(15 DG C1')-(15 DG N9)-(15 DG C4) 170.0 310.0
 &rst     iat =   465,   466,   468,   482,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 16 GUA CHI:  (16 DG O4')-(16 DG C1')-(16 DG N9)-(16 DG C4) 170.0 310.0
 &rst     iat =   498,   499,   501,   515,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 17 CYT CHI:  (17 DC O4')-(17 DC C1')-(17 DC N1)-(17 DC C2) 170.0 310.0
 &rst     iat =   531,   532,   534,   544,
   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 =   561,   562,   564,   574,
   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) 170.0 310.0
 &rst     iat =   591,   592,   594,   608,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 20 GUA CHI:  (20 DG O4')-(20 DG C1')-(20 DG N9)-(20 DG C4) 170.0 310.0
 &rst     iat =   624,   625,   627,   641,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 21 G1L CHI:  (21 G1L O4')-(21 G1L C1')-(21 G1L N9)-(21 G1L C4) 170.0 310.0
 &rst     iat =   656,   657,   664,   676,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 22 THY CHI:  (22 DT O4')-(22 DT C1')-(22 DT N1)-(22 DT C2) 170.0 310.0
 &rst     iat =   692,   693,   695,   707,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, 
 &end

# 23 ADE CHI:  (23 DA O4')-(23 DA C1')-(23 DA N9)-(23 DA C4) 170.0 310.0
 &rst     iat =   724,   725,   727,   740,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, 
 &end

# 24 G1L CHI:  (24 G1L O4')-(24 G1L C1')-(24 G1L N9)-(24 G1L C4) 170.0 310.0
 &rst     iat =   755,   756,   763,   775,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end

# 25 ADE CHI:  (25 DA3 O4')-(25 DA3 C1')-(25 DA3 N9)-(25 DA3 C4) 170.0 310.0
 &rst     iat =   791,   792,   794,   807,
   r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
 &end
#
# TORSION ANGLE EPSYLON
# 1 THY EPSILN:  (1 DT5 C4')-(1 DT5 C3')-(1 DT5 O3')-(2 DG P) 150.0 300.0
 &rst     iat =     6,    25,    30,    31,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
   rk2 =   200.0, rk3 =   200.0,    &end

# 2 GUA EPSILN:  (2 DG C4')-(2 DG C3')-(2 DG O3')-(3 DT P) 150.0 300.0
 &rst     iat =    38,    58,    63,    64,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 3 THY EPSILN:  (3 DT C4')-(3 DT C3')-(3 DT O3')-(4 DG P) 150.0 300.0
 &rst     iat =    71,    90,    95,    96,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 4 GUA EPSILN:  (4 DG C4')-(4 DG C3')-(4 DG O3')-(5 G1L P) 150.0 300.0
 &rst     iat =   103,   123,   128,   129,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 5 G1L EPSILN:  (5 G1L C4')-(5 G1L C3')-(5 G1L O3')-(6 DG P) 150.0 300.0
 &rst     iat =   136,   161,   163,   164,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 6 GUA EPSILN:  (6 DG C4')-(6 DG C3')-(6 DG O3')-(7 DG P) 150.0 300.0
 &rst     iat =   171,   191,   196,   197,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 7 GUA EPSILN:  (7 DG C4')-(7 DG C3')-(7 DG O3')-(8 DG P) 150.0 300.0
 &rst     iat =   204,   224,   229,   230,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 8 GUA EPSILN:  (8 DG C4')-(8 DG C3')-(8 DG O3')-(9 DT P) 150.0 300.0
 &rst     iat =   237,   257,   262,   263,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 9 THY EPSILN:  (9 DT C4')-(9 DT C3')-(9 DT O3')-(10 DG P) 150.0 300.0
 &rst     iat =   270,   289,   294,   295,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 10 GUA EPSILN:  (10 DG C4')-(10 DG C3')-(10 DG O3')-(11 DG P) 150.0 300.0
 &rst     iat =   302,   322,   327,   328,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 11 GUA EPSILN:  (11 DG C4')-(11 DG C3')-(11 DG O3')-(12 DA P) 150.0 300.0
 &rst     iat =   335,   355,   360,   361,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 12 ADE EPSILN:  (12 DA C4')-(12 DA C3')-(12 DA O3')-(13 DC P) 150.0 300.0
 &rst     iat =   368,   387,   392,   393,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 13 CYT EPSILN:  (13 DC C4')-(13 DC C3')-(13 DC O3')-(14 DG P) 150.0 300.0
 &rst     iat =   400,   417,   422,   423,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 14 GUA EPSILN:  (14 DG C4')-(14 DG C3')-(14 DG O3')-(15 DG P) 150.0 300.0
 &rst     iat =   430,   450,   455,   456,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 15 GUA EPSILN:  (15 DG C4')-(15 DG C3')-(15 DG O3')-(16 DG P) 150.0 300.0
 &rst     iat =   463,   483,   488,   489,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 16 GUA EPSILN:  (16 DG C4')-(16 DG C3')-(16 DG O3')-(17 DC P) 150.0 300.0
 &rst     iat =   496,   516,   521,   522,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 17 CYT EPSILN:  (17 DC C4')-(17 DC C3')-(17 DC O3')-(18 DC P) 150.0 300.0
 &rst     iat =   529,   546,   551,   552,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 18 CYT EPSILN:  (18 DC C4')-(18 DC C3')-(18 DC O3')-(19 DG P) 150.0 300.0
 &rst     iat =   559,   576,   581,   582,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 19 GUA EPSILN:  (19 DG C4')-(19 DG C3')-(19 DG O3')-(20 DG P) 150.0 300.0
 &rst     iat =   589,   609,   614,   615,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 20 GUA EPSILN:  (20 DG C4')-(20 DG C3')-(20 DG O3')-(21 G1L P) 150.0 300.0
 &rst     iat =   622,   642,   647,   648,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 21 G1L EPSILN:  (21 G1L C4')-(21 G1L C3')-(21 G1L O3')-(22 DT P) 150.0 300.0
 &rst     iat =   655,   680,   682,   683,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 22 THY EPSILN:  (22 DT C4')-(22 DT C3')-(22 DT O3')-(23 DA P) 150.0 300.0
 &rst     iat =   690,   709,   714,   715,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 23 ADE EPSILN:  (23 DA C4')-(23 DA C3')-(23 DA O3')-(24 G1L P) 150.0 300.0
 &rst     iat =   722,   741,   746,   747,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

# 24 G1L EPSILN:  (24 G1L C4')-(24 G1L C3')-(24 G1L O3')-(25 DA3 P) 150.0 300.0
 &rst     iat =   754,   779,   781,   782,
   r1 = 149.0, r2 = 150.0, r3 = 300.0, r4 = 301.0,
 &end

#TORSION ANGLE NU2
# 1 THY NU2:  (1 DT5 C1')-(1 DT5 C2')-(1 DT5 C3')-(1 DT5 C4') -40.0 -30.0
 &rst     iat =     9,    27,    25,     6,
   r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
   rk2 =   250.0, rk3 =   250.0,    &end

# 4 GUA NU2:  (4 DG C1')-(4 DG C2')-(4 DG C3')-(4 DG C4') 30.0  40.0
 &rst     iat =   106,   125,   123,   103,
   r1 = 29.0, r2 = 30.0, r3 =  40.0, r4 =  41.0,
 &end

# 9 THY NU2:  (9 DT C1')-(9 DT C2')-(9 DT C3')-(9 DT C4') -40.0 -30.0
 &rst     iat =   273,   291,   289,   270,
   r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
 &end

# 10 GUA NU2:  (10 DG C1')-(10 DG C2')-(10 DG C3')-(10 DG C4') -40.0 -30.0
 &rst     iat =   305,   324,   322,   302,
   r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
 &end

# 11 GUA NU2:  (11 DG C1')-(11 DG C2')-(11 DG C3')-(11 DG C4') -40.0 -30.0
 &rst     iat =   338,   357,   355,   335,
   r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
 &end

# 13 CYT NU2:  (13 DC C1')-(13 DC C2')-(13 DC C3')-(13 DC C4') -40.0 -30.0
 &rst     iat =   403,   419,   417,   400,
   r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
 &end

# 17 CYT NU2:  (17 DC C1')-(17 DC C2')-(17 DC C3')-(17 DC C4') -40.0 -30.0
 &rst     iat =   532,   548,   546,   529,
   r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
 &end

# 18 CYT NU2:  (18 DC C1')-(18 DC C2')-(18 DC C3')-(18 DC C4') -40.0 -30.0
 &rst     iat =   562,   578,   576,   559,
   r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
 &end

# 19 GUA NU2:  (19 DG C1')-(19 DG C2')-(19 DG C3')-(19 DG C4') 30.0  40.0
 &rst     iat =   592,   611,   609,   589,
   r1 = 29.0, r2 = 30.0, r3 =  40.0, r4 =  41.0,
 &end

# 22 THY NU2:  (22 DT C1')-(22 DT C2')-(22 DT C3')-(22 DT C4') -40.0 -30.0
 &rst     iat =   693,   711,   709,   690,
   r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
 &end

# 25 ADE NU2:  (25 DA3 C1')-(25 DA3 C2')-(25 DA3 C3')-(25 DA3 C4') -40.0 -30.0
 &rst     iat =   792,   810,   808,   789,
   r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
 &end

# 25 ADE NU2:  (25 DA3 C1')-(25 DA3 C2')-(25 DA3 C3')-(25 DA3 C4') -40.0 -30.0
 &rst     iat =   792,   810,   808,   789,
   r1 = -41.0, r2 = -40.0, r3 = -30.0, r4 = -29.0,
 &end
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Contact the webmaster for help, if required. Wednesday, May 29, 2024 11:52:11 AM GMT (wattos1)
image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	565357	2m53	19035	cing	1-original	3	AMBER	dihedral angle