NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | position | program | type |
|
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609531 |
5gwl   |
36020 | cing | 1-original | 2 | AMBER | dihedral angle |
# Restraints file 3: cctg2_rst_torsion
# 3J1'2' or 3J1'2''
# C1
&rst iat = 10, 9, 25, 26,
r1 = 145, r2 = 146, r3 = 176, r4 = 177,
rk2 = 200.0, rk3 = 200.0, &end
# G4
&rst iat = 102, 101, 120, 121,
r1 = 146, r2 = 147, r3 = 177, r4 = 178,
&end
# C5
&rst iat = 135, 134, 150, 151,
r1 = 152, r2 = 153, r3 = 183, r4 = 184,
&end
# T7
&rst iat = 195, 194, 212, 213,
r1 = 141, r2 = 142, r3 = 172, r4 = 173,
&end
# backbone version 04
# 256 atoms read from pdb file min.pdb.
# 1 CYT GAMMA: (1 DC5 O5')-(1 DC5 C5')-(1 DC5 C4')-(1 DC5 C3') 0.0 360.0
&rst iat = 2, 3, 6, 23,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
rk2 = 200.0, rk3 = 200.0, &end
# 1 CYT DELTA: (1 DC5 C5')-(1 DC5 C4')-(1 DC5 C3')-(1 DC5 O3') 0.0 360.0
&rst iat = 3, 6, 23, 28,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 1 CYT EPSILON: (1 DC5 C4')-(1 DC5 C3')-(1 DC5 O3')-(2 DC P) 0.0 360.0
&rst iat = 6, 23, 28, 29,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 1 CYT ZETA: (1 DC5 C3')-(1 DC5 O3')-(2 DC P)-(2 DC O5') 0.0 360.0
&rst iat = 23, 28, 29, 32,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 1 CYT CHI: (1 DC5 O4')-(1 DC5 C1')-(1 DC5 N1)-(1 DC5 C2) 90.0 270.0
&rst iat = 8, 9, 11, 21,
r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0,
&end
# 2 CYT ALPHA: (1 DC5 O3')-(2 DC P)-(2 DC O5')-(2 DC C5') 0.0 360.0
&rst iat = 28, 29, 32, 33,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 2 CYT BETA: (2 DC P)-(2 DC O5')-(2 DC C5')-(2 DC C4') 0.0 360.0
&rst iat = 29, 32, 33, 36,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 2 CYT GAMMA: (2 DC O5')-(2 DC C5')-(2 DC C4')-(2 DC C3') 30.0 90.0
&rst iat = 32, 33, 36, 53,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 2 CYT DELTA: (2 DC C5')-(2 DC C4')-(2 DC C3')-(2 DC O3') 0.0 360.0
&rst iat = 33, 36, 53, 58,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 2 CYT EPSILON: (2 DC C4')-(2 DC C3')-(2 DC O3')-(3 DT P) 0.0 360.0
&rst iat = 36, 53, 58, 59,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 2 CYT ZETA: (2 DC C3')-(2 DC O3')-(3 DT P)-(3 DT O5') 0.0 360.0
&rst iat = 53, 58, 59, 62,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 2 CYT CHI: (2 DC O4')-(2 DC C1')-(2 DC N1)-(2 DC C2) 90.0 270.0
&rst iat = 38, 39, 41, 51,
r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0,
&end
# 3 THY ALPHA: (2 DC O3')-(3 DT P)-(3 DT O5')-(3 DT C5') 0.0 360.0
&rst iat = 58, 59, 62, 63,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 3 THY BETA: (3 DT P)-(3 DT O5')-(3 DT C5')-(3 DT C4') 0.0 360.0
&rst iat = 59, 62, 63, 66,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 3 THY GAMMA: (3 DT O5')-(3 DT C5')-(3 DT C4')-(3 DT C3') 0.0 360.0
&rst iat = 62, 63, 66, 85,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 3 THY DELTA: (3 DT C5')-(3 DT C4')-(3 DT C3')-(3 DT O3') 0.0 360.0
&rst iat = 63, 66, 85, 90,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 3 THY EPSILON: (3 DT C4')-(3 DT C3')-(3 DT O3')-(4 DG P) 0.0 360.0
&rst iat = 66, 85, 90, 91,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 3 THY ZETA: (3 DT C3')-(3 DT O3')-(4 DG P)-(4 DG O5') 0.0 360.0
&rst iat = 85, 90, 91, 94,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 3 THY CHI: (3 DT O4')-(3 DT C1')-(3 DT N1)-(3 DT C2) 90.0 270.0
&rst iat = 68, 69, 71, 83,
r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0,
&end
# 4 GUA ALPHA: (3 DT O3')-(4 DG P)-(4 DG O5')-(4 DG C5') 0.0 360.0
&rst iat = 90, 91, 94, 95,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 4 GUA BETA: (4 DG P)-(4 DG O5')-(4 DG C5')-(4 DG C4') 0.0 360.0
&rst iat = 91, 94, 95, 98,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 4 GUA GAMMA: (4 DG O5')-(4 DG C5')-(4 DG C4')-(4 DG C3') 150.0 210.0
&rst iat = 94, 95, 98, 118,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 4 GUA DELTA: (4 DG C5')-(4 DG C4')-(4 DG C3')-(4 DG O3') 0.0 360.0
&rst iat = 95, 98, 118, 123,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 4 GUA EPSILON: (4 DG C4')-(4 DG C3')-(4 DG O3')-(5 DC P) 0.0 360.0
&rst iat = 98, 118, 123, 124,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 4 GUA ZETA: (4 DG C3')-(4 DG O3')-(5 DC P)-(5 DC O5') 0.0 360.0
&rst iat = 118, 123, 124, 127,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 4 GUA CHI: (4 DG O4')-(4 DG C1')-(4 DG N9)-(4 DG C4) 90.0 330.0
&rst iat = 100, 101, 103, 117,
r1 = 89.0, r2 = 90.0, r3 = 330.0, r4 = 331.0,
&end
# 5 CYT ALPHA: (4 DG O3')-(5 DC P)-(5 DC O5')-(5 DC C5') 0.0 360.0
&rst iat = 123, 124, 127, 128,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 5 CYT BETA: (5 DC P)-(5 DC O5')-(5 DC C5')-(5 DC C4') 0.0 360.0
&rst iat = 124, 127, 128, 131,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 5 CYT GAMMA: (5 DC O5')-(5 DC C5')-(5 DC C4')-(5 DC C3') 150.0 210.0
&rst iat = 127, 128, 131, 148,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 5 CYT DELTA: (5 DC C5')-(5 DC C4')-(5 DC C3')-(5 DC O3') 0.0 360.0
&rst iat = 128, 131, 148, 153,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 5 CYT EPSILON: (5 DC C4')-(5 DC C3')-(5 DC O3')-(6 DC P) 0.0 360.0
&rst iat = 131, 148, 153, 154,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 5 CYT ZETA: (5 DC C3')-(5 DC O3')-(6 DC P)-(6 DC O5') 0.0 360.0
&rst iat = 148, 153, 154, 157,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 5 CYT CHI: (5 DC O4')-(5 DC C1')-(5 DC N1)-(5 DC C2) 90.0 270.0
&rst iat = 133, 134, 136, 146,
r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0,
&end
# 6 CYT ALPHA: (5 DC O3')-(6 DC P)-(6 DC O5')-(6 DC C5') 0.0 360.0
&rst iat = 153, 154, 157, 158,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 6 CYT BETA: (6 DC P)-(6 DC O5')-(6 DC C5')-(6 DC C4') 0.0 360.0
&rst iat = 154, 157, 158, 161,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 6 CYT GAMMA: (6 DC O5')-(6 DC C5')-(6 DC C4')-(6 DC C3') 30.0 90.0
&rst iat = 157, 158, 161, 178,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 6 CYT DELTA: (6 DC C5')-(6 DC C4')-(6 DC C3')-(6 DC O3') 0.0 360.0
&rst iat = 158, 161, 178, 183,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 6 CYT EPSILON: (6 DC C4')-(6 DC C3')-(6 DC O3')-(7 DT P) 0.0 360.0
&rst iat = 161, 178, 183, 184,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 6 CYT ZETA: (6 DC C3')-(6 DC O3')-(7 DT P)-(7 DT O5') 0.0 360.0
&rst iat = 178, 183, 184, 187,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 6 CYT CHI: (6 DC O4')-(6 DC C1')-(6 DC N1)-(6 DC C2) 90.0 270.0
&rst iat = 163, 164, 166, 176,
r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0,
&end
# 7 THY ALPHA: (6 DC O3')-(7 DT P)-(7 DT O5')-(7 DT C5') 0.0 360.0
&rst iat = 183, 184, 187, 188,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 7 THY BETA: (7 DT P)-(7 DT O5')-(7 DT C5')-(7 DT C4') 0.0 360.0
&rst iat = 184, 187, 188, 191,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 7 THY GAMMA: (7 DT O5')-(7 DT C5')-(7 DT C4')-(7 DT C3') 0.0 360.0
&rst iat = 187, 188, 191, 210,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 7 THY DELTA: (7 DT C5')-(7 DT C4')-(7 DT C3')-(7 DT O3') 0.0 360.0
&rst iat = 188, 191, 210, 215,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 7 THY EPSILON: (7 DT C4')-(7 DT C3')-(7 DT O3')-(8 DG3 P) 0.0 360.0
&rst iat = 191, 210, 215, 216,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 7 THY ZETA: (7 DT C3')-(7 DT O3')-(8 DG3 P)-(8 DG3 O5') 0.0 360.0
&rst iat = 210, 215, 216, 219,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 7 THY CHI: (7 DT O4')-(7 DT C1')-(7 DT N1)-(7 DT C2) 90.0 270.0
&rst iat = 193, 194, 196, 208,
r1 = 89.0, r2 = 90.0, r3 = 270.0, r4 = 271.0,
&end
# 8 GUA ALPHA: (7 DT O3')-(8 DG3 P)-(8 DG3 O5')-(8 DG3 C5') 0.0 360.0
&rst iat = 215, 216, 219, 220,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 8 GUA BETA: (8 DG3 P)-(8 DG3 O5')-(8 DG3 C5')-(8 DG3 C4') 0.0 360.0
&rst iat = 216, 219, 220, 223,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 8 GUA GAMMA: (8 DG3 O5')-(8 DG3 C5')-(8 DG3 C4')-(8 DG3 C3') 150.0 210.0
&rst iat = 219, 220, 223, 243,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 8 GUA DELTA: (8 DG3 C5')-(8 DG3 C4')-(8 DG3 C3')-(8 DG3 O3') 0.0 360.0
&rst iat = 220, 223, 243, 248,
r1 = -1.0, r2 = 0.0, r3 = 360.0, r4 = 361.0,
&end
# 8 GUA CHI: (8 DG3 O4')-(8 DG3 C1')-(8 DG3 N9)-(8 DG3 C4) 90.0 330.0
&rst iat = 225, 226, 228, 242,
r1 = 89.0, r2 = 90.0, r3 = 330.0, r4 = 331.0,
&end
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