NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type

655561 7d0z cing 1-original 2 AMBER dihedral angle
# Restraints file 2: rst
# backbone
# 256 atoms read from pdb file min.pdb.
# 1 DC GAMMA:  (1 CP5 O5')-(1 CP5 C5')-(1 CP5 C4')-(1 CP5 C3')   0.0 360.0
 &rst     iat =     2,     3,     6,    24,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	  rk2 =   2.0, rk3 =   2.0,				/

# 1 DC DELTA:  (1 CP5 C5')-(1 CP5 C4')-(1 CP5 C3')-(1 CP5 O3')   0.0 360.0
 &rst     iat =     3,     6,    24,    29,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 1 DC EPSILON:  (1 CP5 C4')-(1 CP5 C3')-(1 CP5 O3')-(2 DCP P)   0.0 360.0
 &rst     iat =     6,    24,    29,    30,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 1 DC ZETA:  (1 CP5 C3')-(1 CP5 O3')-(2 DCP P)-(2 DCP O5')   0.0 360.0
 &rst     iat =    24,    29,    30,    33,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 1 DC CHI:  (1 CP5 O4')-(1 CP5 C1')-(1 CP5 N1)-(1 CP5 C2)  90.0 270.0
 &rst     iat =     8,     9,    11,    22,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 2 DC ALPHA:  (1 CP5 O3')-(2 DCP P)-(2 DCP O5')-(2 DCP C5')   0.0 360.0
 &rst     iat =    29,    30,    33,    34,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 2 DC BETA:  (2 DCP P)-(2 DCP O5')-(2 DCP C5')-(2 DCP C4')   0.0 360.0
 &rst     iat =    30,    33,    34,    37,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 2 DC GAMMA:  (2 DCP O5')-(2 DCP C5')-(2 DCP C4')-(2 DCP C3')   0.0 360.0
 &rst     iat =    33,    34,    37,    55,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 2 DC DELTA:  (2 DCP C5')-(2 DCP C4')-(2 DCP C3')-(2 DCP O3')   0.0 360.0
 &rst     iat =    34,    37,    55,    60,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 2 DC EPSILON:  (2 DCP C4')-(2 DCP C3')-(2 DCP O3')-(3 DT P)   0.0 360.0
 &rst     iat =    37,    55,    60,    61,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 2 DC ZETA:  (2 DCP C3')-(2 DCP O3')-(3 DT P)-(3 DT O5')   0.0 360.0
 &rst     iat =    55,    60,    61,    64,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 2 DC CHI:  (2 DCP O4')-(2 DCP C1')-(2 DCP N1)-(2 DCP C2)  90.0 270.0
 &rst     iat =    39,    40,    42,    53,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 3 DT ALPHA:  (2 DCP O3')-(3 DT P)-(3 DT O5')-(3 DT C5')   0.0 360.0
 &rst     iat =    60,    61,    64,    65,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 3 DT BETA:  (3 DT P)-(3 DT O5')-(3 DT C5')-(3 DT C4')   0.0 360.0
 &rst     iat =    61,    64,    65,    68,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 3 DT GAMMA:  (3 DT O5')-(3 DT C5')-(3 DT C4')-(3 DT C3')   0.0 360.0
 &rst     iat =    64,    65,    68,    87,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 3 DT DELTA:  (3 DT C5')-(3 DT C4')-(3 DT C3')-(3 DT O3')   0.0 360.0
 &rst     iat =    65,    68,    87,    92,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 3 DT EPSILON:  (3 DT C4')-(3 DT C3')-(3 DT O3')-(4 DG P)   0.0 360.0
 &rst     iat =    68,    87,    92,    93,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 3 DT ZETA:  (3 DT C3')-(3 DT O3')-(4 DG P)-(4 DG O5')   0.0 360.0
 &rst     iat =    87,    92,    93,    96,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 3 DT CHI:  (3 DT O4')-(3 DT C1')-(3 DT N1)-(3 DT C2)  90.0 270.0
 &rst     iat =    70,    71,    73,    85,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 4 DG ALPHA:  (3 DT O3')-(4 DG P)-(4 DG O5')-(4 DG C5')   0.0 360.0
 &rst     iat =    92,    93,    96,    97,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 4 DG BETA:  (4 DG P)-(4 DG O5')-(4 DG C5')-(4 DG C4')   0.0 360.0
 &rst     iat =    93,    96,    97,   100,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 4 DG GAMMA:  (4 DG O5')-(4 DG C5')-(4 DG C4')-(4 DG C3')   0.0 360.0
 &rst     iat =    96,    97,   100,   120,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 4 DG DELTA:  (4 DG C5')-(4 DG C4')-(4 DG C3')-(4 DG O3')   0.0 360.0
 &rst     iat =    97,   100,   120,   125,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 4 DG EPSILON:  (4 DG C4')-(4 DG C3')-(4 DG O3')-(5 DC P)   0.0 360.0
 &rst     iat =   100,   120,   125,   126,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 4 DG ZETA:  (4 DG C3')-(4 DG O3')-(5 DC P)-(5 DC O5')   0.0 360.0
 &rst     iat =   120,   125,   126,   129,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 4 DG CHI:  (4 DG O4')-(4 DG C1')-(4 DG N9)-(4 DG C4) -90.0  90.0
 &rst     iat =   102,   103,   105,   119,
	  r1 = -91.0, r2 = -90.0, r3 =  90.0, r4 =  91.0,
	/

# 5 DC ALPHA:  (4 DG O3')-(5 DC P)-(5 DC O5')-(5 DC C5')   0.0 360.0
 &rst     iat =   125,   126,   129,   130,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 5 DC BETA:  (5 DC P)-(5 DC O5')-(5 DC C5')-(5 DC C4')   0.0 360.0
 &rst     iat =   126,   129,   130,   133,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 5 DC GAMMA:  (5 DC O5')-(5 DC C5')-(5 DC C4')-(5 DC C3')   0.0 360.0
 &rst     iat =   129,   130,   133,   150,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 5 DC DELTA:  (5 DC C5')-(5 DC C4')-(5 DC C3')-(5 DC O3')   0.0 360.0
 &rst     iat =   130,   133,   150,   155,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 5 DC EPSILON:  (5 DC C4')-(5 DC C3')-(5 DC O3')-(6 DC P)   0.0 360.0
 &rst     iat =   133,   150,   155,   156,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 5 DC ZETA:  (5 DC C3')-(5 DC O3')-(6 DC P)-(6 DC O5')   0.0 360.0
 &rst     iat =   150,   155,   156,   159,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 5 DC CHI:  (5 DC O4')-(5 DC C1')-(5 DC N1)-(5 DC C2)  90.0 270.0
 &rst     iat =   135,   136,   138,   148,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 6 DC ALPHA:  (5 DC O3')-(6 DC P)-(6 DC O5')-(6 DC C5')   0.0 360.0
 &rst     iat =   155,   156,   159,   160,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 6 DC BETA:  (6 DC P)-(6 DC O5')-(6 DC C5')-(6 DC C4')   0.0 360.0
 &rst     iat =   156,   159,   160,   163,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 6 DC GAMMA:  (6 DC O5')-(6 DC C5')-(6 DC C4')-(6 DC C3')   0.0 360.0
 &rst     iat =   159,   160,   163,   180,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 6 DC DELTA:  (6 DC C5')-(6 DC C4')-(6 DC C3')-(6 DC O3')   0.0 360.0
 &rst     iat =   160,   163,   180,   185,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 6 DC EPSILON:  (6 DC C4')-(6 DC C3')-(6 DC O3')-(7 DT P)   0.0 360.0
 &rst     iat =   163,   180,   185,   186,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 6 DC ZETA:  (6 DC C3')-(6 DC O3')-(7 DT P)-(7 DT O5')   0.0 360.0
 &rst     iat =   180,   185,   186,   189,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 6 DC CHI:  (6 DC O4')-(6 DC C1')-(6 DC N1)-(6 DC C2)  90.0 270.0
 &rst     iat =   165,   166,   168,   178,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 7 DT ALPHA:  (6 DC O3')-(7 DT P)-(7 DT O5')-(7 DT C5')   0.0 360.0
 &rst     iat =   185,   186,   189,   190,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 7 DT BETA:  (7 DT P)-(7 DT O5')-(7 DT C5')-(7 DT C4')   0.0 360.0
 &rst     iat =   186,   189,   190,   193,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 7 DT GAMMA:  (7 DT O5')-(7 DT C5')-(7 DT C4')-(7 DT C3')   0.0 360.0
 &rst     iat =   189,   190,   193,   212,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 7 DT DELTA:  (7 DT C5')-(7 DT C4')-(7 DT C3')-(7 DT O3')   0.0 360.0
 &rst     iat =   190,   193,   212,   217,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 7 DT EPSILON:  (7 DT C4')-(7 DT C3')-(7 DT O3')-(8 DG3 P)   0.0 360.0
 &rst     iat =   193,   212,   217,   218,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 7 DT ZETA:  (7 DT C3')-(7 DT O3')-(8 DG3 P)-(8 DG3 O5')   0.0 360.0
 &rst     iat =   212,   217,   218,   221,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 7 DT CHI:  (7 DT O4')-(7 DT C1')-(7 DT N1)-(7 DT C2)  90.0 270.0
 &rst     iat =   195,   196,   198,   210,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 8 DG ALPHA:  (7 DT O3')-(8 DG3 P)-(8 DG3 O5')-(8 DG3 C5')   0.0 360.0
 &rst     iat =   217,   218,   221,   222,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 8 DG BETA:  (8 DG3 P)-(8 DG3 O5')-(8 DG3 C5')-(8 DG3 C4')   0.0 360.0
 &rst     iat =   218,   221,   222,   225,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 8 DG GAMMA:  (8 DG3 O5')-(8 DG3 C5')-(8 DG3 C4')-(8 DG3 C3')   0.0 360.0
 &rst     iat =   221,   222,   225,   245,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 8 DG DELTA:  (8 DG3 C5')-(8 DG3 C4')-(8 DG3 C3')-(8 DG3 O3')   0.0 360.0
 &rst     iat =   222,   225,   245,   250,
	  r1 =  -1.0, r2 =   0.0, r3 = 360.0, r4 = 361.0,
	/

# 8 DG CHI:  (8 DG3 O4')-(8 DG3 C1')-(8 DG3 N9)-(8 DG3 C4)  90.0 330.0
 &rst     iat =   227,   228,   230,   244,
	  r1 =  89.0, r2 =  90.0, r3 = 330.0, r4 = 331.0,
	/

#
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image	mrblock_id	pdb_id	cing	stage	position	program	type
	655561	7d0z	cing	1-original	2	AMBER	dihedral angle