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

638025 6o7g 30585 cing 1-original 2 AMBER dihedral angle
# Restraints file 2: all.rst
# 1081 atoms read from pdb file phd6_1.pdb.
# 17 LEU PSI:  (17 LEU N)-(17 LEU CA)-(17 LEU C)-(18 LEU N)  90.0 164.5
 &rst     iat =   234,   236,   251,   253,
          r1 =  69.0, r2 =  70.0, r3 = 164.5, r4 = 165.5,
	  rk2=50.0, rk3=50.0,				/

# 18 LEU PHI:  (17 LEU C)-(18 LEU N)-(18 LEU CA)-(18 LEU C) -160.0 -109.6
 &rst     iat =   251,   253,   255,   270,
          r1 = -161.0, r2 = -160.0, r3 = -79.6, r4 = -78.6,
	/

# 18 LEU PSI:  (18 LEU N)-(18 LEU CA)-(18 LEU C)-(19 ILE N) 110.0 162.9
 &rst     iat =   253,   255,   270,   272,
	  r1 = 99.0, r2 = 100.0, r3 = 162.9, r4 = 163.9,
	/

# 19 ILE PHI:  (18 LEU C)-(19 ILE N)-(19 ILE CA)-(19 ILE C) -160.0 -99.7
 &rst     iat =   270,   272,   274,   289,
	  r1 = -161.0, r2 = -160.0, r3 = -99.7, r4 = -98.7,
	/

# 19 ILE PSI:  (19 ILE N)-(19 ILE CA)-(19 ILE C)-(20 GLN N) 100.0 174.1
 &rst     iat =   272,   274,   289,   291,
	  r1 =  99.0, r2 = 100.0, r3 = 174.1, r4 = 175.1,
	/

# 20 GLN PHI:  (19 ILE C)-(20 GLN N)-(20 GLN CA)-(20 GLN C) -150.0 -50.4
 &rst     iat =   289,   291,   293,   306,
	  r1 = -151.0, r2 = -150.0, r3 = -50.4, r4 = -49.4,
	/

# 20 GLN PSI:  (20 GLN N)-(20 GLN CA)-(20 GLN C)-(21 CY1 N) 100.0 152.1
 &rst     iat =   291,   293,   306,   308,
	  r1 =  99.0, r2 = 100.0, r3 = 162.1, r4 = 163.1,
	/

# 28 MET PHI:  (27 TRP C)-(28 MET N)-(28 MET CA)-(28 MET C) -170.0   7.3
 &rst     iat =   430,   432,   434,   447,
	  r1 = -171.0, r2 = -170.0, r3 =   7.3, r4 =   8.3,
	/

# 28 MET PSI:  (28 MET N)-(28 MET CA)-(28 MET C)-(29 HE1 N) 120.0 195.5
 &rst     iat =   432,   434,   447,   449,
	  r1 = 119.0, r2 = 120.0, r3 = 195.5, r4 = 196.5,
	/

# 31 GLY PHI:  (30 ALA C)-(31 GLY N)-(31 GLY CA)-(31 GLY C) -90.0 -39.9
 &rst     iat =   474,   476,   478,   481,
	  r1 = -91.0, r2 = -90.0, r3 = -39.9, r4 = -38.9,
	/

# 31 GLY PSI:  (31 GLY N)-(31 GLY CA)-(31 GLY C)-(32 CY2 N) -60.0 -11.4
 &rst     iat =   476,   478,   481,   483,
	  r1 = -61.0, r2 = -60.0, r3 = -11.4, r4 = -10.4,
	/

# 32 CYS PHI:  (31 GLY C)-(32 CY2 N)-(32 CY2 CA)-(32 CY2 C) -90.0 -38.9
 &rst     iat =   481,   483,   485,   491,
	  r1 = -91.0, r2 = -90.0, r3 = -38.9, r4 = -37.9,
	/

# 32 CYS PSI:  (32 CY2 N)-(32 CY2 CA)-(32 CY2 C)-(33 GLU N) -60.0   8.8
 &rst     iat =   483,   485,   491,   493,
	  r1 = -61.0, r2 = -60.0, r3 =   8.8, r4 =   9.8,
	/

# 38 GLU PHI:  (37 THR C)-(38 GLU N)-(38 GLU CA)-(38 GLU C) -80.0 -44.8
 &rst     iat =   570,   572,   574,   585,
	  r1 = -81.0, r2 = -80.0, r3 = -44.8, r4 = -43.8,
	/

# 38 GLU PSI:  (38 GLU N)-(38 GLU CA)-(38 GLU C)-(39 ASP N) -70.0  -6.8
 &rst     iat =   572,   574,   585,   587,
	  r1 = -71.0, r2 = -70.0, r3 =  -6.8, r4 =  -5.8,
	/

# 39 ASP PHI:  (38 GLU C)-(39 ASP N)-(39 ASP CA)-(39 ASP C) -90.0 -24.9
 &rst     iat =   585,   587,   589,   597,
	  r1 = -91.0, r2 = -90.0, r3 = -24.9, r4 = -23.9,
	/

# 39 ASP PSI:  (39 ASP N)-(39 ASP CA)-(39 ASP C)-(40 ASP N) -70.0 -16.8
 &rst     iat =   587,   589,   597,   599,
	  r1 = -71.0, r2 = -70.0, r3 = -16.8, r4 = -15.8,
	/

# 40 ASP PHI:  (39 ASP C)-(40 ASP N)-(40 ASP CA)-(40 ASP C) -80.0 -49.8
 &rst     iat =   597,   599,   601,   609,
	  r1 = -81.0, r2 = -80.0, r3 = -49.8, r4 = -48.8,
	/

# 40 ASP PSI:  (40 ASP N)-(40 ASP CA)-(40 ASP C)-(41 VAL N) -70.0 -19.8
 &rst     iat =   599,   601,   609,   611,
	  r1 = -71.0, r2 = -70.0, r3 = -19.8, r4 = -18.8,
	/

# 41 VAL PHI:  (40 ASP C)-(41 VAL N)-(41 VAL CA)-(41 VAL C) -90.0 -40.0
 &rst     iat =   609,   611,   613,   625,
	  r1 = -91.0, r2 = -90.0, r3 = -40.0, r4 = -39.0,
	/

# 41 VAL PSI:  (41 VAL N)-(41 VAL CA)-(41 VAL C)-(42 GLU N) -70.0 -19.7
 &rst     iat =   611,   613,   625,   627,
	  r1 = -71.0, r2 = -70.0, r3 = -19.7, r4 = -18.7,
	/

# 42 GLU PHI:  (41 VAL C)-(42 GLU N)-(42 GLU CA)-(42 GLU C) -80.0 -38.4
 &rst     iat =   625,   627,   629,   640,
	  r1 = -81.0, r2 = -80.0, r3 = -38.4, r4 = -37.4,
	/

# 42 GLU PSI:  (42 GLU N)-(42 GLU CA)-(42 GLU C)-(43 GLN N) -70.0 -19.0
 &rst     iat =   627,   629,   640,   642,
	  r1 = -71.0, r2 = -70.0, r3 = -19.0, r4 = -18.0,
	/

# 43 GLN PHI:  (42 GLU C)-(43 GLN N)-(43 GLN CA)-(43 GLN C) -90.0 -37.7
 &rst     iat =   640,   642,   644,   657,
	  r1 = -91.0, r2 = -90.0, r3 = -37.7, r4 = -36.7,
	/

# 43 GLN PSI:  (43 GLN N)-(43 GLN CA)-(43 GLN C)-(44 ALA N) -70.0 -15.5
 &rst     iat =   642,   644,   657,   659,
	  r1 = -71.0, r2 = -70.0, r3 = -15.5, r4 = -14.5,
	/

# 44 ALA PHI:  (43 GLN C)-(44 ALA N)-(44 ALA CA)-(44 ALA C) -90.0 -39.1
 &rst     iat =   657,   659,   661,   667,
	  r1 = -91.0, r2 = -90.0, r3 = -39.1, r4 = -38.1,
	/

# 44 ALA PSI:  (44 ALA N)-(44 ALA CA)-(44 ALA C)-(45 ALA N) -70.0  -8.4
 &rst     iat =   659,   661,   667,   669,
	  r1 = -71.0, r2 = -70.0, r3 =  -8.4, r4 =  -7.4,
	/

# 45 ALA PHI:  (44 ALA C)-(45 ALA N)-(45 ALA CA)-(45 ALA C) -90.0 -39.9
 &rst     iat =   667,   669,   671,   677,
	  r1 = -91.0, r2 = -90.0, r3 = -39.9, r4 = -38.9,
	/

# 45 ALA PSI:  (45 ALA N)-(45 ALA CA)-(45 ALA C)-(46 ASP N) -70.0 -18.5
 &rst     iat =   669,   671,   677,   679,
	  r1 = -71.0, r2 = -70.0, r3 = -18.5, r4 = -17.5,
	/

# 46 ASP PHI:  (45 ALA C)-(46 ASP N)-(46 ASP CA)-(46 ASP C) -90.0 -38.9
 &rst     iat =   677,   679,   681,   689,
	  r1 = -91.0, r2 = -90.0, r3 = -38.9, r4 = -37.9,
	/

# 46 ASP PSI:  (46 ASP N)-(46 ASP CA)-(46 ASP C)-(47 GLU N) -70.0  -7.7
 &rst     iat =   679,   681,   689,   691,
	  r1 = -71.0, r2 = -70.0, r3 =  -7.7, r4 =  -6.7,
	/

#LYS  HA --> CH3 ace
#
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image	mrblock_id	pdb_id	bmrb_id	cing	stage	position	program	type
	638025	6o7g	30585	cing	1-original	2	AMBER	dihedral angle