NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage position program type
649053 6m0c cing 1-original 1 AMBER dihedral angle 

# Restraints file 1: rst
# 260 atoms read from pdb file min.pdb.
# 1 DC NU1:  (1 DC5 H1')-(1 DC5 C1')-(1 DC5 C2')-(1 DC5 H2') 142.0 172.0
 &rst     iat =     10,     9,    25,    26,
	  r1 = 141.0, r2 = 142.0, r3 = 172.0, r4 = 173.0,
	  rk2 =   1000.0, rk3 =   1000.0,				/

# 2 DT NU1:  (2 DT H1')-(2 DT C1')-(2 DT C2')-(2 DT H2') 144.0 174.0
 &rst     iat =    40,    39,    57,    58,
	  r1 = 143.0, r2 = 144.0, r3 = 174.0, r4 = 175.0,
	/

# 3 DT NU1:  (3 DT H1')-(3 DT C1')-(3 DT C2')-(3 DT H2') 144.0 174.0
 &rst     iat =    72,    71,    89,    90,
	  r1 = 143.0, r2 = 144.0, r3 = 174.0, r4 = 175.0,
	/

# 4 DG NU1:  (4 DC H1')-(4 DC C1')-(4 DC C2')-(4 DC H2') 150.0 180.0
 &rst     iat =   104,   103,   122,   123,
	  r1 = 149.0, r2 = 150.0, r3 = 180.0, r4 = 181.0,
	/
	
# 5 DC NU1:  (5 DC H1')-(5 DC C1')-(5 DC C2')-(5 DC H2') 143.0 173.0
 &rst     iat =   137,   136,   152,   153,
	  r1 = 142.0, r2 = 143.0, r3 = 173.0, r4 = 174.0,
	/

# 6 DG NU1:  (6 DA H1')-(6 DA C1')-(6 DA C2')-(6 DA H2') 147.0 177.0
 &rst     iat =   167,   166,   184,   185,
	  r1 = 146.0, r2 = 147.0, r3 = 177.0, r4 = 178.0,
	/

# 7 DA NU1:  (7 DT H1')-(7 DT C1')-(7 DT C2')-(7 DT H2') 144.0 174.0
 &rst     iat =   199,   198,   216,   217,
	  r1 = 143.0, r2 = 144.0, r3 = 174.0, r4 = 175.0,
	/

# 1 DC GAMMA:  (1 DC5 O5')-(1 DC5 C5')-(1 DC5 C4')-(1 DC5 C3') 150.0 330.0
 &rst     iat =     2,     3,     6,    23,
	  r1 = 149.0, r2 = 150.0, r3 = 330.0, r4 = 331.0,
	/

# 4 DG GAMMA:  (4 DG O5')-(4 DG C5')-(4 DG C4')-(4 DG C3') 150.0 210.0
 &rst     iat =    96,    97,   100,   120,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	/

# 5 DC GAMMA:  (5 DC O5')-(5 DC C5')-(5 DC C4')-(5 DC C3') 150.0 330.0
 &rst     iat =   129,   130,   133,   150,
	  r1 = 149.0, r2 = 150.0, r3 = 330.0, r4 = 331.0,
	/

# 8 DG GAMMA:  (8 DG3 O5')-(8 DG3 C5')-(8 DG3 C4')-(8 DG3 C3') 150.0 210.0
 &rst     iat =   223,   224,   227,   247,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	/

# 2 DT CHI:  (2 DT O4')-(2 DT C1')-(2 DT N1)-(2 DT C2)  90.0 270.0
 &rst     iat =    38,    39,    41,    53,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 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 CHI:  (4 DG O4')-(4 DG C1')-(4 DG N9)-(4 DG C4)  90.0 330.0
 &rst     iat =   102,   103,   105,   119,
	  r1 =  89.0, r2 =  90.0, r3 = 330.0, r4 = 331.0,
	/

# 6 DT CHI:  (6 DA O4')-(6 DA C1')-(6 DA N1)-(6 DA C2)  90.0 270.0
 &rst     iat =   165,   166,   177,   178,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 7 DT CHI:  (7 DT O4')-(7 DT C1')-(7 DT N1)-(7 DT C2)  90.0 270.0
 &rst     iat =   197,   198,   200,   212,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 8 DG CHI:  (8 DG3 O4')-(8 DG3 C1')-(8 DG3 N9)-(8 DG3 C4)  90.0 330.0
 &rst     iat =   229,   230,   232,   246,
	  r1 =  89.0, r2 =  90.0, r3 = 330.0, r4 = 331.0,
	/

#

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