NMR Restraints Grid

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

image	mrblock_id	pdb_id	cing	stage	position	program	type
	648717	6iy5	cing	1-original	2	AMBER	dihedral angle

# Restraints file 2: rst_backbone.txt
# 324 atoms read from pdb file min.pdb.
# 1 DA CHI:  (1 DA5 O4')-(1 DA5 C1')-(1 DA5 N9)-(1 DA5 C4)  90.0 270.0
 &rst     iat =     8,     9,    11,    24,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	  rk2 =   2.0, rk3 =   2.0,				/

# 2 DT CHI:  (2 DT O4')-(2 DT C1')-(2 DT N1)-(2 DT C2)  90.0 270.0
 &rst     iat =    40,    41,    43,    55,
	  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 =    72,    73,    75,    87,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 4 DC CHI:  (4 DC O4')-(4 DC C1')-(4 DC N1)-(4 DC C2)  90.0 270.0
 &rst     iat =   104,   105,   107,   117,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 5 DT CHI:  (5 DT O4')-(5 DT C1')-(5 DT N1)-(5 DT C2)  90.0 270.0
 &rst     iat =   134,   135,   137,   149,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 6 DA CHI:  (6 DA O4')-(6 DA C1')-(6 DA N9)-(6 DA C4)  90.0 270.0
 &rst     iat =   166,   167,   169,   182,
	  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 =   198,   199,   201,   213,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 8 DT CHI:  (8 DT O4')-(8 DT C1')-(8 DT N1)-(8 DT C2)  90.0 270.0
 &rst     iat =   230,   231,   233,   245,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 9 DC CHI:  (9 DC O4')-(9 DC C1')-(9 DC N1)-(9 DC C2)  90.0 270.0
 &rst     iat =   262,   263,   265,   275,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 10 DT CHI:  (10 DT3 O4')-(10 DT3 C1')-(10 DT3 N1)-(10 DT3 C2)  90.0 270.0
 &rst     iat =   292,   293,   295,   307,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 1 DA GAMMA:  (1 DA5 O5')-(1 DA5 C5')-(1 DA5 C4')-(1 DA5 C3')  30.0  90.0
 &rst     iat =     2,     3,     6,    25,
	  r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
	/

# 2 DT GAMMA:  (2 DT O5')-(2 DT C5')-(2 DT C4')-(2 DT C3')  30.0  90.0
 &rst     iat =    34,    35,    38,    57,
	  r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
	/

# 8 DT GAMMA:  (8 DT O5')-(8 DT C5')-(8 DT C4')-(8 DT C3')  30.0  90.0
 &rst     iat =   224,   225,   228,   247,
	  r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
	/

# manually added 3 sugar torsion angle rst
# 3 DT H1'-C1'-C2'-H2'  138.0  168.0
 &rst     iat =     74,     73,     91,    92,
          r1 =  137.0, r2 =  138.0, r3 =  168.0, r4 =  169.0,
        /

# 6 DA H1'-C1'-C2'-H2'  135.0  165.0
 &rst     iat =     168,     167,     185,    186,
          r1 =  134.0, r2 =  135.0, r3 =  165.0, r4 =  166.0,

# 8 DT H1'-C1'-C2'-H2'  139.0  169.0
 &rst     iat =     232,     231,     249,    250,
          r1 =  138.0, r2 =  139.0, r3 =  169.0, r4 =  170.0,

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