NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type subtype subsubtype

492654 2kqo cing 1-original 1 AMBER distance NOE simple
#
# 2 3VB H2N 3 4ZB H1  2.80000 3.80000
 &rst
  ixpk= 0, nxpk= 0, iat=  22,  31, r1= 2.30, r2= 2.80, r3= 3.80, r4= 4.30, rk2=10.0, rk3=10.0, ir6=1, ialtd=0,  &end
#
# 2 3VB H3 3 4ZB H1  1.80000 2.70000 
 &rst
  ixpk= 0, nxpk= 0, iat=  18,  31, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 3 4ZB H4 4 3VB H1  1.80000 2.70000 
 &rst
  ixpk= 0, nxpk= 0, iat=  39,  50, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 4 3VB H2N 5 4ZB H1  2.80000 3.80000
 &rst
  ixpk= 0, nxpk= 0, iat=  68,  77, r1= 2.30, r2= 2.80, r3= 3.80, r4= 4.30,  &end
#
# 4 3VB H3 5 4ZB H1  1.80000 2.70000 
 &rst
  ixpk= 0, nxpk= 0, iat=  64,  77, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 5 4ZB H4 6 3VB H1  1.80000 2.70000 
 &rst
  ixpk= 0, nxpk= 0, iat=  85,  96, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
#
# 6 3VB H2N 7 0ZB H1  2.80000 3.80000
 &rst
  ixpk= 0, nxpk= 0, iat= 114, 123, r1= 2.30, r2= 2.80, r3= 3.80, r4= 4.30,  &end
#
# 6 3VB H3 7 0ZB H1  1.80000 2.70000 
 &rst
  ixpk= 0, nxpk= 0, iat= 110, 123, r1= 1.30, r2= 1.80, r3= 2.70, r4= 3.20,  &end
# 141 atoms read from pdb file gag.pdb.
# 2 3VB T1:  (2 3VB C1)-(2 3VB C2)-(2 3VB C3)-(2 3VB C4) -410.0 -70.0
 &rst     iat =     3,    19,    17,    13,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
   rk2 =   100.0, rk3 =   100.0,    &end

# 2 3VB T2:  (2 3VB C2)-(2 3VB C3)-(2 3VB C4)-(2 3VB C5)  50.0  70.0
 &rst     iat =    19,    17,    13,     6,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 2 3VB T3:  (2 3VB C3)-(2 3VB C4)-(2 3VB C5)-(2 3VB O5) -410.0 -70.0
 &rst     iat =    17,    13,     6,     5,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 2 3VB T4:  (2 3VB C4)-(2 3VB C5)-(2 3VB O5)-(2 3VB C1)  50.0  70.0
 &rst     iat =    13,     6,     5,     3,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 2 3VB T5:  (2 3VB C5)-(2 3VB O5)-(2 3VB C1)-(2 3VB C2) -410.0 -70.0
 &rst     iat =     6,     5,     3,    19,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 2 3VB T6:  (2 3VB O5)-(2 3VB C1)-(2 3VB C2)-(2 3VB C3)  50.0  70.0
 &rst     iat =     5,     3,    19,    17,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 2 3VB T6:  (2 3VB O5)-(2 3VB C1)-(2 3VB C2)-(2 3VB C3)  50.0  70.0
 &rst     iat =     5,     3,    19,    17,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 3 4ZB T1:  (3 4ZB C1)-(3 4ZB C2)-(3 4ZB C3)-(3 4ZB C4) -410.0 -70.0
 &rst     iat =    30,    44,    40,    38,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 3 4ZB T2:  (3 4ZB C2)-(3 4ZB C3)-(3 4ZB C4)-(3 4ZB C5)  50.0  70.0
 &rst     iat =    44,    40,    38,    33,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 3 4ZB T3:  (3 4ZB C3)-(3 4ZB C4)-(3 4ZB C5)-(3 4ZB O5) -410.0 -70.0
 &rst     iat =    40,    38,    33,    32,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 3 4ZB T4:  (3 4ZB C4)-(3 4ZB C5)-(3 4ZB O5)-(3 4ZB C1)  50.0  70.0
 &rst     iat =    38,    33,    32,    30,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 3 4ZB T5:  (3 4ZB C5)-(3 4ZB O5)-(3 4ZB C1)-(3 4ZB C2) -410.0 -70.0
 &rst     iat =    33,    32,    30,    44,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 3 4ZB T6:  (3 4ZB O5)-(3 4ZB C1)-(3 4ZB C2)-(3 4ZB C3)  50.0  70.0
 &rst     iat =    32,    30,    44,    40,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 3 4ZB T6:  (3 4ZB O5)-(3 4ZB C1)-(3 4ZB C2)-(3 4ZB C3)  50.0  70.0
 &rst     iat =    32,    30,    44,    40,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 4 3VB T1:  (4 3VB C1)-(4 3VB C2)-(4 3VB C3)-(4 3VB C4) -410.0 -70.0
 &rst     iat =    49,    65,    63,    59,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 4 3VB T2:  (4 3VB C2)-(4 3VB C3)-(4 3VB C4)-(4 3VB C5)  50.0  70.0
 &rst     iat =    65,    63,    59,    52,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 4 3VB T3:  (4 3VB C3)-(4 3VB C4)-(4 3VB C5)-(4 3VB O5) -410.0 -70.0
 &rst     iat =    63,    59,    52,    51,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 4 3VB T4:  (4 3VB C4)-(4 3VB C5)-(4 3VB O5)-(4 3VB C1)  50.0  70.0
 &rst     iat =    59,    52,    51,    49,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 4 3VB T5:  (4 3VB C5)-(4 3VB O5)-(4 3VB C1)-(4 3VB C2) -410.0 -70.0
 &rst     iat =    52,    51,    49,    65,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 4 3VB T6:  (4 3VB O5)-(4 3VB C1)-(4 3VB C2)-(4 3VB C3)  50.0  70.0
 &rst     iat =    51,    49,    65,    63,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 4 3VB T6:  (4 3VB O5)-(4 3VB C1)-(4 3VB C2)-(4 3VB C3)  50.0  70.0
 &rst     iat =    51,    49,    65,    63,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 5 4ZB T1:  (5 4ZB C1)-(5 4ZB C2)-(5 4ZB C3)-(5 4ZB C4) -410.0 -70.0
 &rst     iat =    76,    90,    86,    84,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 5 4ZB T2:  (5 4ZB C2)-(5 4ZB C3)-(5 4ZB C4)-(5 4ZB C5)  50.0  70.0
 &rst     iat =    90,    86,    84,    79,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 5 4ZB T3:  (5 4ZB C3)-(5 4ZB C4)-(5 4ZB C5)-(5 4ZB O5) -410.0 -70.0
 &rst     iat =    86,    84,    79,    78,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 5 4ZB T4:  (5 4ZB C4)-(5 4ZB C5)-(5 4ZB O5)-(5 4ZB C1)  50.0  70.0
 &rst     iat =    84,    79,    78,    76,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 5 4ZB T5:  (5 4ZB C5)-(5 4ZB O5)-(5 4ZB C1)-(5 4ZB C2) -410.0 -70.0
 &rst     iat =    79,    78,    76,    90,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 5 4ZB T6:  (5 4ZB O5)-(5 4ZB C1)-(5 4ZB C2)-(5 4ZB C3)  50.0  70.0
 &rst     iat =    78,    76,    90,    86,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 5 4ZB T6:  (5 4ZB O5)-(5 4ZB C1)-(5 4ZB C2)-(5 4ZB C3)  50.0  70.0
 &rst     iat =    78,    76,    90,    86,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 6 3VB T1:  (6 3VB C1)-(6 3VB C2)-(6 3VB C3)-(6 3VB C4) -410.0 -70.0
 &rst     iat =    95,   111,   109,   105,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 6 3VB T2:  (6 3VB C2)-(6 3VB C3)-(6 3VB C4)-(6 3VB C5)  50.0  70.0
 &rst     iat =   111,   109,   105,    98,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 6 3VB T3:  (6 3VB C3)-(6 3VB C4)-(6 3VB C5)-(6 3VB O5) -410.0 -70.0
 &rst     iat =   109,   105,    98,    97,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 6 3VB T4:  (6 3VB C4)-(6 3VB C5)-(6 3VB O5)-(6 3VB C1)  50.0  70.0
 &rst     iat =   105,    98,    97,    95,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 6 3VB T5:  (6 3VB C5)-(6 3VB O5)-(6 3VB C1)-(6 3VB C2) -410.0 -70.0
 &rst     iat =    98,    97,    95,   111,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 6 3VB T6:  (6 3VB O5)-(6 3VB C1)-(6 3VB C2)-(6 3VB C3)  50.0  70.0
 &rst     iat =    97,    95,   111,   109,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 6 3VB T6:  (6 3VB O5)-(6 3VB C1)-(6 3VB C2)-(6 3VB C3)  50.0  70.0
 &rst     iat =    97,    95,   111,   109,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 7 0ZB T1:  (7 0ZB C1)-(7 0ZB C2)-(7 0ZB C3)-(7 0ZB C4) -410.0 -70.0
 &rst     iat =   122,   138,   134,   130,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 7 0ZB T2:  (7 0ZB C2)-(7 0ZB C3)-(7 0ZB C4)-(7 0ZB C5)  50.0  70.0
 &rst     iat =   138,   134,   130,   125,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 7 0ZB T3:  (7 0ZB C3)-(7 0ZB C4)-(7 0ZB C5)-(7 0ZB O5) -410.0 -70.0
 &rst     iat =   134,   130,   125,   124,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 7 0ZB T4:  (7 0ZB C4)-(7 0ZB C5)-(7 0ZB O5)-(7 0ZB C1)  50.0  70.0
 &rst     iat =   130,   125,   124,   122,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end

# 7 0ZB T5:  (7 0ZB C5)-(7 0ZB O5)-(7 0ZB C1)-(7 0ZB C2) -410.0 -70.0
 &rst     iat =   125,   124,   122,   138,
   r1 = -411.0, r2 = -410.0, r3 = -70.0, r4 = -69.0,
 &end

# 7 0ZB T6:  (7 0ZB O5)-(7 0ZB C1)-(7 0ZB C2)-(7 0ZB C3)  50.0  70.0
 &rst     iat =   124,   122,   138,   134,
   r1 =  49.0, r2 =  50.0, r3 =  70.0, r4 =  71.0,
 &end
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image	mrblock_id	pdb_id	cing	stage	position	program	type	subtype	subsubtype
	492654	2kqo	cing	1-original	1	AMBER	distance	NOE	simple