NMR Restraints Grid

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

image mrblock_id pdb_id bmrb_id cing stage position program type
630392 5oph 34168 cing 1-original 2 AMBER dihedral angle


# CHI torsion angle
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# 707 atoms read from pdb file S2.pdb.
# 1 DG CHI:  (1 DG5 O4')-(1 DG5 C1')-(1 DG5 N9)-(1 DG5 C4)  25.0  95.0
 &rst     iat =     8,     9,    11,    25,
	  r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
	  rk2 = 150.0, rk3 =150.0,				&end

# 2 DG CHI:  (2 DG O4')-(2 DG C1')-(2 DG N9)-(2 DG C4) 200.0 280.0
 &rst     iat =    41,    42,    44,    58,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 3 DG CHI:  (3 DG O4')-(3 DG C1')-(3 DG N9)-(3 DG C4)  25.0  95.0
 &rst     iat =    74,    75,    77,    91,
	  r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
	&end

# 4 DG CHI:  (4 DG O4')-(4 DG C1')-(4 DG N9)-(4 DG C4) 200.0 280.0
 &rst     iat =   107,   108,   110,   124,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 7 DG CHI:  (7 DG O4')-(7 DG C1')-(7 DG N9)-(7 DG C4)  25.0  95.0
 &rst     iat =   200,   201,   203,   217,
	  r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
	&end

# 8 DG CHI:  (8 DG O4')-(8 DG C1')-(8 DG N9)-(8 DG C4) 200.0 280.0
 &rst     iat =   233,   234,   236,   250,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 9 DG CHI:  (9 DG O4')-(9 DG C1')-(9 DG N9)-(9 DG C4)  25.0  95.0
 &rst     iat =   266,   267,   269,   283,
	  r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
	&end

# 10 DG CHI:  (10 DG O4')-(10 DG C1')-(10 DG N9)-(10 DG C4) 200.0 280.0
 &rst     iat =   299,   300,   302,   316,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 11 DC CHI:  (11 DC O4')-(11 DC C1')-(11 DC N1)-(11 DC C2) 170.0 310.0
 &rst     iat =   332,   333,   335,   345,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	&end

# 12 DC CHI:  (12 DC O4')-(12 DC C1')-(12 DC N1)-(12 DC C2) 170.0 310.0
 &rst     iat =   362,   363,   365,   375,
	  r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0,
	&end

# 13 DG CHI:  (13 DG O4')-(13 DG C1')-(13 DG N9)-(13 DG C4)  25.0  95.0
 &rst     iat =   392,   393,   395,   409,
	  r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
	&end

# 14 DG CHI:  (14 DG O4')-(14 DG C1')-(14 DG N9)-(14 DG C4) 200.0 280.0
 &rst     iat =   425,   426,   428,   442,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 15 DG CHI:  (15 DG O4')-(15 DG C1')-(15 DG N9)-(15 DG C4)  25.0  95.0
 &rst     iat =   458,   459,   461,   475,
	  r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
	&end

# 16 DG CHI:  (16 DG O4')-(16 DG C1')-(16 DG N9)-(16 DG C4) 200.0 280.0
 &rst     iat =   491,   492,   494,   508,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end
# 19 DG CHI:  (19 DG O4')-(19 DG C1')-(19 DG N9)-(19 DG C4)  25.0  95.0
 &rst     iat =   584,   585,   587,   601,
	  r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
	&end

# 20 DG CHI:  (20 DG O4')-(20 DG C1')-(20 DG N9)-(20 DG C4) 200.0 280.0
 &rst     iat =   617,   618,   620,   634,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end

# 21 BG CHI:  (21 BG O4')-(21 BG C1')-(21 BG N9)-(21 BG C4)  25.0  95.0
 &rst     iat =   650,   651,   653,   667,
	  r1 =  24.0, r2 =  25.0, r3 =  95.0, r4 =  96.0,
	&end

# 22 DG CHI:  (22 DG3 O4')-(22 DG3 C1')-(22 DG3 N9)-(22 DG3 C4) 200.0 280.0
 &rst     iat =   683,   684,   686,   700,
	  r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0,
	&end
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