NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type

502613 2rrb cing 1-original 4 AMBER dihedral angle
# 15 LEU CHI1:  (15 LEU N)-(15 LEU CA)-(15 LEU CB)-(15 LEU CG) -80.0 -40.0
 &rst     iat =   185,   187,   189,   192,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
   rk2 = 60.0, rk3 = 60.0,    &end

# 15 LEU CHI2:  (15 LEU CA)-(15 LEU CB)-(15 LEU CG)-(15 LEU CD1) -200.0 -160.0
 &rst     iat =   187,   189,   192,   194,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 17 VAL CHI1:  (17 VAL N)-(17 VAL CA)-(17 VAL CB)-(17 VAL CG1) -200.0 -160.0
 &rst     iat =   211,   213,   215,   217,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 18 PHE CHI1:  (18 PHE N)-(18 PHE CA)-(18 PHE CB)-(18 PHE CG) -80.0 -40.0
 &rst     iat =   227,   229,   231,   234,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 20 LEU CHI1:  (20 LEU N)-(20 LEU CA)-(20 LEU CB)-(20 LEU CG) -80.0 -40.0
 &rst     iat =   254,   256,   258,   261,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 20 LEU CHI2:  (20 LEU CA)-(20 LEU CB)-(20 LEU CG)-(20 LEU CD1) -200.0 -160.0
 &rst     iat =   256,   258,   261,   263,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 22 LEU CHI2:  (22 LEU CA)-(22 LEU CB)-(22 LEU CG)-(22 LEU CD1)  40.0 200.0
 &rst     iat =   286,   288,   291,   293,
   r1 =  39.0, r2 =  40.0, r3 = 200.0, r4 = 201.0,
 &end

# 22 LEU PHI:  (21 SER C)-(22 LEU N)-(22 LEU CA)-(22 LEU C) -180.0   0.0
 &rst     iat =   282,   284,   286,   301,
   r1 = -181.0, r2 = -180.0, r3 =   0.0, r4 =   1.0,
 &end

# 24 THR PHI:  (23 TYR C)-(24 THR N)-(24 THR CA)-(24 THR C) -103.4 -43.4
 &rst     iat =   322,   324,   326,   336,
   r1 = -104.4, r2 = -103.4, r3 = -43.4, r4 = -42.4,
 &end

# 24 THR PSI:  (24 THR N)-(24 THR CA)-(24 THR C)-(25 THR N) 101.3 161.3
 &rst     iat =   324,   326,   336,   338,
   r1 = 100.3, r2 = 101.3, r3 = 161.3, r4 = 162.3,
 &end

# 29 LEU CHI1:  (29 LEU N)-(29 LEU CA)-(29 LEU CB)-(29 LEU CG) -80.0 -40.0
 &rst     iat =   403,   405,   407,   410,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 29 LEU CHI2:  (29 LEU CA)-(29 LEU CB)-(29 LEU CG)-(29 LEU CD1) -200.0 -160.0
 &rst     iat =   405,   407,   410,   412,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 32 VAL CHI1:  (32 VAL N)-(32 VAL CA)-(32 VAL CB)-(32 VAL CG1) -200.0 -160.0
 &rst     iat =   461,   463,   465,   467,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 33 PHE CHI1:  (33 PHE N)-(33 PHE CA)-(33 PHE CB)-(33 PHE CG) -80.0 -40.0
 &rst     iat =   477,   479,   481,   484,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 36 TYR CHI1:  (36 TYR N)-(36 TYR CA)-(36 TYR CB)-(36 TYR CG) -80.0 -40.0
 &rst     iat =   530,   532,   534,   537,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 39 ILE CHI1:  (39 ILE N)-(39 ILE CA)-(39 ILE CB)-(39 ILE CG1) -80.0 -40.0
 &rst     iat =   572,   574,   576,   582,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 39 ILE CHI21:  (39 ILE CA)-(39 ILE CB)-(39 ILE CG1)-(39 ILE CD1) -200.0 -160.0
 &rst     iat =   574,   576,   582,   585,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 42 VAL CHI1:  (42 VAL N)-(42 VAL CA)-(42 VAL CB)-(42 VAL CG1) -200.0 -160.0
 &rst     iat =   613,   615,   617,   619,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 44 ILE CHI1:  (44 ILE N)-(44 ILE CA)-(44 ILE CB)-(44 ILE CG1) -80.0 -40.0
 &rst     iat =   640,   642,   644,   650,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 44 ILE CHI21:  (44 ILE CA)-(44 ILE CB)-(44 ILE CG1)-(44 ILE CD1) -200.0 -160.0
 &rst     iat =   642,   644,   650,   653,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 45 VAL CHI1:  (45 VAL N)-(45 VAL CA)-(45 VAL CB)-(45 VAL CG1) -200.0 -160.0
 &rst     iat =   659,   661,   663,   665,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 46 TYR CHI1:  (46 TYR N)-(46 TYR CA)-(46 TYR CB)-(46 TYR CG) -80.0 -40.0
 &rst     iat =   675,   677,   679,   682,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 51 ARG PHI:  (50 SER C)-(51 ARG N)-(51 ARG CA)-(51 ARG C)  20.0 100.0
 &rst     iat =   751,   753,   755,   775,
   r1 =  19.0, r2 =  20.0, r3 = 100.0, r4 = 101.0,
 &end

# 56 PHE CHI1:  (56 PHE N)-(56 PHE CA)-(56 PHE CB)-(56 PHE CG)  40.0  80.0
 &rst     iat =   843,   845,   847,   850,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 58 PHE CHI1:  (58 PHE N)-(58 PHE CA)-(58 PHE CB)-(58 PHE CG) -80.0 -40.0
 &rst     iat =   873,   875,   877,   880,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 59 VAL CHI1:  (59 VAL N)-(59 VAL CA)-(59 VAL CB)-(59 VAL CG1) -200.0 -160.0
 &rst     iat =   893,   895,   897,   899,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 60 TYR CHI1:  (60 TYR N)-(60 TYR CA)-(60 TYR CB)-(60 TYR CG) -80.0 -40.0
 &rst     iat =   909,   911,   913,   916,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 61 PHE CHI1:  (61 PHE N)-(61 PHE CA)-(61 PHE CB)-(61 PHE CG) -80.0 -40.0
 &rst     iat =   930,   932,   934,   937,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end

# 64 VAL CHI1:  (64 VAL N)-(64 VAL CA)-(64 VAL CB)-(64 VAL CG1)  40.0  80.0
 &rst     iat =   979,   981,   983,   985,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 79 LEU CHI1:  (79 LEU N)-(79 LEU CA)-(79 LEU CB)-(79 LEU CG) -200.0 -160.0
 &rst     iat =  1200,  1202,  1204,  1207,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 79 LEU CHI2:  (79 LEU CA)-(79 LEU CB)-(79 LEU CG)-(79 LEU CD1)  40.0  80.0
 &rst     iat =  1202,  1204,  1207,  1209,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 80 ASP PHI:  (79 LEU C)-(80 ASP N)-(80 ASP CA)-(80 ASP C)  20.0 100.0
 &rst     iat =  1217,  1219,  1221,  1229,
   r1 =  19.0, r2 =  20.0, r3 = 100.0, r4 = 101.0,
 &end

# 81 GLY PHI:  (80 ASP C)-(81 GLY N)-(81 GLY CA)-(81 GLY C)  20.0 100.0
 &rst     iat =  1229,  1231,  1233,  1236,
   r1 =  19.0, r2 =  20.0, r3 = 100.0, r4 = 101.0,
 &end

# 84 ILE CHI1:  (84 ILE N)-(84 ILE CA)-(84 ILE CB)-(84 ILE CG1)  40.0  80.0
 &rst     iat =  1286,  1288,  1290,  1296,
   r1 =  39.0, r2 =  40.0, r3 =  80.0, r4 =  81.0,
 &end

# 84 ILE CHI21:  (84 ILE CA)-(84 ILE CB)-(84 ILE CG1)-(84 ILE CD1) -200.0 -160.0
 &rst     iat =  1288,  1290,  1296,  1299,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 86 VAL CHI1:  (86 VAL N)-(86 VAL CA)-(86 VAL CB)-(86 VAL CG1) -200.0 -160.0
 &rst     iat =  1329,  1331,  1333,  1335,
   r1 = -201.0, r2 = -200.0, r3 = -160.0, r4 = -159.0,
 &end

# 88 PHE CHI1:  (88 PHE N)-(88 PHE CA)-(88 PHE CB)-(88 PHE CG) -80.0 -40.0
 &rst     iat =  1357,  1359,  1361,  1364,
   r1 = -81.0, r2 = -80.0, r3 = -40.0, r4 = -39.0,
 &end
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image	mrblock_id	pdb_id	cing	stage	position	program	type
	502613	2rrb	cing	1-original	4	AMBER	dihedral angle