NMR Restraints Grid

Result table
 (Save to zip file containing files for each block)
image mrblock_id pdb_id cing stage position program type
655539 7d0x cing 1-original 6 AMBER dihedral angle 

# Restraints file 2: rst1
# 286 atoms read from pdb file min.pdb.

# Backbone
# 2 DT CHI:  (2 DT O4')-(2 DT C1')-(2 DT N1)-(2 DT C2)  90.0 270.0
 &rst     iat =    41,    42,    44,    56,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	  rk2 =   200.0, rk3 =   200.0,				/

# 3 DT CHI:  (3 DT O4')-(3 DT C1')-(3 DT N1)-(3 DT C2)  90.0 270.0
 &rst     iat =    73,    74,    76,    88,
	  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 =   105,   106,   108,   122,
	  r1 =  89.0, r2 =  90.0, r3 = 330.0, r4 = 331.0,
	/

# 7 DT CHI:  (7 DT O4')-(7 DT C1')-(7 DT N1)-(7 DT C2)  90.0 270.0
 &rst     iat =   190,   191,   193,   205,
	  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 =   222,   223,   225,   237,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	/

# 9 DG CHI:  (9 DG3 O4')-(9 DG3 C1')-(9 DG3 N9)-(9 DG3 C4)  90.0 330.0
 &rst     iat =   254,   255,   257,   271,
	  r1 =  89.0, r2 =  90.0, r3 = 330.0, r4 = 331.0,
	/

# 2 DT GAMMA:  (2 DT O5')-(2 DT C5')-(2 DT C4')-(2 DT C3')  30.0  90.0
 &rst     iat =    35,    36,    39,    58,
	  r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
	/

# 3 DT GAMMA:  (3 DT O5')-(3 DT C5')-(3 DT C4')-(3 DT C3')  30.0  90.0
 &rst     iat =    67,    68,    71,    90,
	  r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
	/

# 4 DG GAMMA:  (4 DG O5')-(4 DG C5')-(4 DG C4')-(4 DG C3') 150.0 210.0
 &rst     iat =    99,   100,   103,   123,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	/

# 7 DT GAMMA:  (7 DT O5')-(7 DT C5')-(7 DT C4')-(7 DT C3')  30.0  90.0
 &rst     iat =   184,   185,   188,   207,
	  r1 =  29.0, r2 =  30.0, r3 =  90.0, r4 =  91.0,
	/

# 9 DG GAMMA:  (9 DG3 O5')-(9 DG3 C5')-(9 DG3 C4')-(9 DG3 C3') 150.0 210.0
 &rst     iat =   248,   249,   252,   272,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	/

# Manually add backbone restraints for residues 1, 5 and 6.
# 1 MC1 CHI:  (1 MC1 O4')-(1 MC1 C1')-(1 MC1 N1)-(1 MC1 C2)  90.0 270.0
 &rst     iat =    8,    9,    11,    20,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	  		/
# 6 DMC CHI:  (6 DMC O4')-(6 DMC C1')-(6 DMC N1)-(6 DMC C2)  90.0 270.0
 &rst     iat =    157,    158,    160,    169,
	  r1 =  89.0, r2 =  90.0, r3 = 270.0, r4 = 271.0,
	  		/
# 5 DX GAMMA:  (5 DX O5')-(5 DX C5')-(5 DX C4')-(5 DX C3') 150.0 210.0
 &rst     iat =   132,   133,   136,   142,
	  r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
	/
# 6 DMC GAMMA:  (6 DMC O5')-(6 DMC C5')-(6 DMC C4')-(6 DMC C3') 30.0 90.0
 &rst     iat =   151,   152,   155,   171,
	  r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
	/

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