NMR Restraints Grid

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

image mrblock_id pdb_id cing stage position program type

491426 2hsl cing 1-original 5 AMBER dihedral angle
# 810 atoms read from pdb file ab_gxac_alpha_amber.pdb.
# 2 CYT BETA:  (2 DC P)-(2 DC O5')-(2 DC C5')-(2 DC C4') -175.0 -115.0
 &rst     iat =    29,    32,    33,    36,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
   rk2 =  200.0, rk3 =  200.0,    /

# 2 CYT EPSLN:  (2 DC C4')-(2 DC C3')-(2 DC O3')-(3 DA P) 125.0 180.0
 &rst     iat =    36,    53,    58,    59,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 2 CYT GAMMA:  (2 DC O5')-(2 DC C5')-(2 DC C4')-(2 DC C3')  25.0  55.0
 &rst     iat =    32,    33,    36,    53,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 3 ADE BETA:  (3 DA P)-(3 DA O5')-(3 DA C5')-(3 DA C4') -175.0 -115.0
 &rst     iat =    59,    62,    63,    66,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 3 ADE EPSLN:  (3 DA C4')-(3 DA C3')-(3 DA O3')-(4 DA P) 125.0 180.0
 &rst     iat =    66,    85,    90,    91,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 3 ADE GAMMA:  (3 DA O5')-(3 DA C5')-(3 DA C4')-(3 DA C3')  25.0  55.0
 &rst     iat =    62,    63,    66,    85,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 4 ADE BETA:  (4 DA P)-(4 DA O5')-(4 DA C5')-(4 DA C4') -175.0 -115.0
 &rst     iat =    91,    94,    95,    98,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 4 ADE EPSLN:  (4 DA C4')-(4 DA C3')-(4 DA O3')-(5 DA P) 125.0 180.0
 &rst     iat =    98,   117,   122,   123,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 4 ADE GAMMA:  (4 DA O5')-(4 DA C5')-(4 DA C4')-(4 DA C3')  25.0  65.0
 &rst     iat =    94,    95,    98,   117,
   r1 =  24.0, r2 =  25.0, r3 =  65.0, r4 =  66.0,
 /

# 5 ADE BETA:  (5 DA P)-(5 DA O5')-(5 DA C5')-(5 DA C4') -175.0 -115.0
 &rst     iat =   123,   126,   127,   130,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 5 ADE EPSLN:  (5 DA C4')-(5 DA C3')-(5 DA O3')-(6 DG P) 125.0 180.0
 &rst     iat =   130,   149,   154,   155,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 5 ADE GAMMA:  (5 DA O5')-(5 DA C5')-(5 DA C4')-(5 DA C3')  25.0  55.0
 &rst     iat =   126,   127,   130,   149,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 6 GUA BETA:  (6 DG P)-(6 DG O5')-(6 DG C5')-(6 DG C4') -175.0 -115.0
 &rst     iat =   155,   158,   159,   162,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 6 GUA EPSLN:  (6 DG C4')-(6 DG C3')-(6 DG O3')-(7 ABA P) 140.0 300.0
 &rst     iat =   162,   182,   187,   188,
   r1 = 139.0, r2 = 140.0, r3 = 300.0, r4 = 301.0,
 /

# 6 GUA GAMMA:  (6 DG O5')-(6 DG C5')-(6 DG C4')-(6 DG C3')  25.0  55.0
 &rst     iat =   158,   159,   162,   182,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 8 ADE GAMMA:  (8 DA O5')-(8 DA C5')-(8 DA C4')-(8 DA C3')  25.0  55.0
 &rst     iat =   211,   212,   215,   234,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 8 ADE BETA:  (8 DA P)-(8 DA O5')-(8 DA C5')-(8 DA C4') -175.0 -115.0
 &rst     iat =   208,   211,   212,   215,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 8 ADE EPSLN:  (8 DA C4')-(8 DA C3')-(8 DA O3')-(9 DC P) 125.0 180.0
 &rst     iat =   215,   234,   239,   240,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 9 CYT BETA:  (9 DC P)-(9 DC O5')-(9 DC C5')-(9 DC C4') -175.0 -115.0
 &rst     iat =   240,   243,   244,   247,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 9 CYT EPSLN:  (9 DC C4')-(9 DC C3')-(9 DC O3')-(10 DC P) 125.0 180.0
 &rst     iat =   247,   264,   269,   270,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 9 CYT GAMMA:  (9 DC O5')-(9 DC C5')-(9 DC C4')-(9 DC C3')  25.0  55.0
 &rst     iat =   243,   244,   247,   264,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 10 CYT BETA:  (10 DC P)-(10 DC O5')-(10 DC C5')-(10 DC C4') -175.0 -115.0
 &rst     iat =   270,   273,   274,   277,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 10 CYT EPSLN:  (10 DC C4')-(10 DC C3')-(10 DC O3')-(11 DG P) 125.0 180.0
 &rst     iat =   277,   294,   299,   300,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 10 CYT GAMMA:  (10 DC O5')-(10 DC C5')-(10 DC C4')-(10 DC C3')  25.0  55.0
 &rst     iat =   273,   274,   277,   294,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 11 GUA BETA:  (11 DG P)-(11 DG O5')-(11 DG C5')-(11 DG C4') -175.0 -115.0
 &rst     iat =   300,   303,   304,   307,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 11 GUA EPSLN:  (11 DG C4')-(11 DG C3')-(11 DG O3')-(12 DG P) 125.0 180.0
 &rst     iat =   307,   327,   332,   333,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 11 GUA GAMMA:  (11 DG O5')-(11 DG C5')-(11 DG C4')-(11 DG C3')  25.0  55.0
 &rst     iat =   303,   304,   307,   327,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 12 GUA BETA:  (12 DG P)-(12 DG O5')-(12 DG C5')-(12 DG C4') -175.0 -115.0
 &rst     iat =   333,   336,   337,   340,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 12 GUA EPSLN:  (12 DG C4')-(12 DG C3')-(12 DG O3')-(13 DG3 P) 125.0 180.0
 &rst     iat =   340,   360,   365,   366,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 12 GUA GAMMA:  (12 DG O5')-(12 DG C5')-(12 DG C4')-(12 DG C3')  25.0  55.0
 &rst     iat =   336,   337,   340,   360,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 13 GUA BETA:  (13 DG3 P)-(13 DG3 O5')-(13 DG3 C5')-(13 DG3 C4') -175.0 -115.0
 &rst     iat =   366,   369,   370,   373,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 14 CYT EPSLN:  (14 DC5 C4')-(14 DC5 C3')-(14 DC5 O3')-(15 DC P) 125.0 180.0
 &rst     iat =   405,   422,   427,   428,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 14 CYT GAMMA:  (14 DC5 O5')-(14 DC5 C5')-(14 DC5 C4')-(14 DC5 C3')  25.0  55.0
 &rst     iat =   401,   402,   405,   422,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 15 CYT BETA:  (15 DC P)-(15 DC O5')-(15 DC C5')-(15 DC C4') -175.0 -115.0
 &rst     iat =   428,   431,   432,   435,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 15 CYT EPSLN:  (15 DC C4')-(15 DC C3')-(15 DC O3')-(16 DC P) 125.0 180.0
 &rst     iat =   435,   452,   457,   458,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 15 CYT GAMMA:  (15 DC O5')-(15 DC C5')-(15 DC C4')-(15 DC C3')  25.0  55.0
 &rst     iat =   431,   432,   435,   452,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 16 CYT BETA:  (16 DC P)-(16 DC O5')-(16 DC C5')-(16 DC C4') -175.0 -115.0
 &rst     iat =   458,   461,   462,   465,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 16 CYT EPSLN:  (16 DC C4')-(16 DC C3')-(16 DC O3')-(17 DG P) 125.0 180.0
 &rst     iat =   465,   482,   487,   488,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 16 CYT GAMMA:  (16 DC O5')-(16 DC C5')-(16 DC C4')-(16 DC C3')  25.0  55.0
 &rst     iat =   461,   462,   465,   482,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 17 GUA BETA:  (17 DG P)-(17 DG O5')-(17 DG C5')-(17 DG C4') -175.0 -115.0
 &rst     iat =   488,   491,   492,   495,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 17 GUA EPSLN:  (17 DG C4')-(17 DG C3')-(17 DG O3')-(18 DG P) 125.0 180.0
 &rst     iat =   495,   515,   520,   521,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 17 GUA GAMMA:  (17 DG O5')-(17 DG C5')-(17 DG C4')-(17 DG C3')  25.0  55.0
 &rst     iat =   491,   492,   495,   515,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 18 GUA BETA:  (18 DG P)-(18 DG O5')-(18 DG C5')-(18 DG C4') -175.0 -115.0
 &rst     iat =   521,   524,   525,   528,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 18 GUA EPSLN:  (18 DG C4')-(18 DG C3')-(18 DG O3')-(19 DT P) 125.0 180.0
 &rst     iat =   528,   548,   553,   554,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 18 GUA GAMMA:  (18 DG O5')-(18 DG C5')-(18 DG C4')-(18 DG C3')  25.0  55.0
 &rst     iat =   524,   525,   528,   548,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 19 THY BETA:  (19 DT P)-(19 DT O5')-(19 DT C5')-(19 DT C4') -175.0 -115.0
 &rst     iat =   554,   557,   558,   561,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 19 THY EPSLN:  (19 DT C4')-(19 DT C3')-(19 DT O3')-(20 DA P) 125.0 180.0
 &rst     iat =   561,   580,   585,   586,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 19 THY GAMMA:  (19 DT O5')-(19 DT C5')-(19 DT C4')-(19 DT C3')  25.0  55.0
 &rst     iat =   557,   558,   561,   580,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 20 ADE BETA:  (20 DA P)-(20 DA O5')-(20 DA C5')-(20 DA C4') -175.0 -115.0
 &rst     iat =   586,   589,   590,   593,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 20 ADE EPSLN:  (20 DA C4')-(20 DA C3')-(20 DA O3')-(21 DC P) 125.0 180.0
 &rst     iat =   593,   612,   617,   618,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 20 ADE GAMMA:  (20 DA O5')-(20 DA C5')-(20 DA C4')-(20 DA C3')  25.0  55.0
 &rst     iat =   589,   590,   593,   612,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 21 CYT BETA:  (21 DC P)-(21 DC O5')-(21 DC C5')-(21 DC C4') -175.0 -115.0
 &rst     iat =   618,   621,   622,   625,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 21 CYT EPSLN:  (21 DC C4')-(21 DC C3')-(21 DC O3')-(22 DT P) 125.0 180.0
 &rst     iat =   625,   642,   647,   648,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 21 CYT GAMMA:  (21 DC O5')-(21 DC C5')-(21 DC C4')-(21 DC C3')  25.0  55.0
 &rst     iat =   621,   622,   625,   642,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 22 THY BETA:  (22 DT P)-(22 DT O5')-(22 DT C5')-(22 DT C4') -175.0 -115.0
 &rst     iat =   648,   651,   652,   655,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 22 THY EPSLN:  (22 DT C4')-(22 DT C3')-(22 DT O3')-(23 DT P) 125.0 180.0
 &rst     iat =   655,   674,   679,   680,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 22 THY GAMMA:  (22 DT O5')-(22 DT C5')-(22 DT C4')-(22 DT C3')  25.0  55.0
 &rst     iat =   651,   652,   655,   674,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 23 THY BETA:  (23 DT P)-(23 DT O5')-(23 DT C5')-(23 DT C4') -175.0 -115.0
 &rst     iat =   680,   683,   684,   687,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 23 THY EPSLN:  (23 DT C4')-(23 DT C3')-(23 DT O3')-(24 DT P) 125.0 180.0
 &rst     iat =   687,   706,   711,   712,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 23 THY GAMMA:  (23 DT O5')-(23 DT C5')-(23 DT C4')-(23 DT C3')  25.0  55.0
 &rst     iat =   683,   684,   687,   706,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 24 THY BETA:  (24 DT P)-(24 DT O5')-(24 DT C5')-(24 DT C4') -175.0 -115.0
 &rst     iat =   712,   715,   716,   719,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 24 THY EPSLN:  (24 DT C4')-(24 DT C3')-(24 DT O3')-(25 DG P) 125.0 180.0
 &rst     iat =   719,   738,   743,   744,
   r1 = 124.0, r2 = 125.0, r3 = 180.0, r4 = 181.0,
 /

# 24 THY GAMMA:  (24 DT O5')-(24 DT C5')-(24 DT C4')-(24 DT C3')  25.0  55.0
 &rst     iat =   715,   716,   719,   738,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 25 GUA BETA:  (25 DG P)-(25 DG O5')-(25 DG C5')-(25 DG C4') -175.0 -115.0
 &rst     iat =   744,   747,   748,   751,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /

# 25 GUA GAMMA:  (25 DG O5')-(25 DG C5')-(25 DG C4')-(25 DG C3')  25.0  55.0
 &rst     iat =   747,   748,   751,   771,
   r1 =  24.0, r2 =  25.0, r3 =  55.0, r4 =  56.0,
 /

# 26 GUA BETA:  (26 DG3 P)-(26 DG3 O5')-(26 DG3 C5')-(26 DG3 C4') -175.0 -115.0
 &rst     iat =   777,   780,   781,   784,
   r1 = -176.0, r2 = -175.0, r3 = -115.0, r4 = -114.0,
 /
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image	mrblock_id	pdb_id	cing	stage	position	program	type
	491426	2hsl	cing	1-original	5	AMBER	dihedral angle