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 |
|
|
614449 |
5uz2   |
30251 | cing | 1-original | 2 | AMBER | dihedral angle |
####################################################################################
# 772 atoms read from pdb file dd12_min.pdb.
# 2 GUA ALPHA: (1 DC5 O3')-(2 DG P)-(2 DG O5')-(2 DG C5') -90.0 -30.0
&rst iat = 28, 29, 32, 33,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
rk2 = 32.0, rk3 = 32.0, &end
# 2 GUA BETA: (2 DG P)-(2 DG O5')-(2 DG C5')-(2 DG C4') 150.0 210.0
&rst iat = 29, 32, 33, 36,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 2 GUA GAMMA: (2 DG O5')-(2 DG C5')-(2 DG C4')-(2 DG C3') 30.0 90.0
&rst iat = 32, 33, 36, 56,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 2 GUA DELTA: (2 DG C5')-(2 DG C4')-(2 DG C3')-(2 DG O3') 79.0 127.0
&rst iat = 33, 36, 56, 61,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 2 GUA EPSLN: (2 DG C4')-(2 DG C3')-(2 DG O3')-(3 DMC P) 165.0 225.0
&rst iat = 36, 56, 61, 62,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
rk2 = 512.0, rk3 = 512.0, &end
# 2 GUA ZETA: (2 DG C3')-(2 DG O3')-(3 DMC P)-(3 DMC O5') -135.0 -75.0
&rst iat = 56, 61, 62, 65,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
rk2 = 32.0, rk3 = 32.0, &end
# 3 DMC ALPHA: (2 DG O3')-(3 DMC P)-(3 DMC O5')-(3 DMC C5') -90.0 -30.0
&rst iat = 61, 62, 65, 66,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 3 DMC BETA: (3 DMC P)-(3 DMC O5')-(3 DMC C5')-(3 DMC C4') 150.0 210.0
&rst iat = 62, 65, 66, 69,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 3 DMC GAMMA: (3 DMC O5')-(3 DMC C5')-(3 DMC C4')-(3 DMC C3') 30.0 90.0
&rst iat = 65, 66, 69, 71,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 3 DMC DELTA: (3 DMC C5')-(3 DMC C4')-(3 DMC C3')-(3 DMC O3') 79.0 127.0
&rst iat = 66, 69, 71, 94,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 3 DMC EPSLN: (3 DMC C4')-(3 DMC C3')-(3 DMC O3')-(4 DG P) 165.0 225.0
&rst iat = 69, 71, 94, 95,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 3 DMC ZETA: (3 DMC C3')-(3 DMC O3')-(4 DG P)-(4 DG O5') -135.0 -75.0
&rst iat = 71, 94, 95, 98,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 4 GUA ALPHA: (3 DMC O3')-(4 DG P)-(4 DG O5')-(4 DG C5') -90.0 -30.0
&rst iat = 94, 95, 98, 99,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 4 GUA BETA: (4 DG P)-(4 DG O5')-(4 DG C5')-(4 DG C4') 150.0 210.0
&rst iat = 95, 98, 99, 102,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 4 GUA GAMMA: (4 DG O5')-(4 DG C5')-(4 DG C4')-(4 DG C3') 30.0 90.0
&rst iat = 98, 99, 102, 122,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 4 GUA DELTA: (4 DG C5')-(4 DG C4')-(4 DG C3')-(4 DG O3') 79.0 127.0
&rst iat = 99, 102, 122, 127,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 4 GUA EPSLN: (4 DG C4')-(4 DG C3')-(4 DG O3')-(5 DA P) 165.0 225.0
&rst iat = 102, 122, 127, 128,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 4 GUA ZETA: (4 DG C3')-(4 DG O3')-(5 DA P)-(5 DA O5') -135.0 -75.0
&rst iat = 122, 127, 128, 131,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
rk2 = 512.0, rk3 = 512.0, &end
# 5 ADE ALPHA: (4 DG O3')-(5 DA P)-(5 DA O5')-(5 DA C5') -90.0 -30.0
&rst iat = 127, 128, 131, 132,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
rk2 = 32.0, rk3 = 32.0, &end
# 5 ADE BETA: (5 DA P)-(5 DA O5')-(5 DA C5')-(5 DA C4') 150.0 210.0
&rst iat = 128, 131, 132, 135,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 5 ADE GAMMA: (5 DA O5')-(5 DA C5')-(5 DA C4')-(5 DA C3') 30.0 90.0
&rst iat = 131, 132, 135, 154,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 5 ADE DELTA: (5 DA C5')-(5 DA C4')-(5 DA C3')-(5 DA O3') 79.0 127.0
&rst iat = 132, 135, 154, 159,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 5 ADE EPSLN: (5 DA C4')-(5 DA C3')-(5 DA O3')-(6 DA P) 165.0 225.0
&rst iat = 135, 154, 159, 160,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 5 ADE ZETA: (5 DA C3')-(5 DA O3')-(6 DA P)-(6 DA O5') -135.0 -75.0
&rst iat = 154, 159, 160, 163,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 6 ADE ALPHA: (5 DA O3')-(6 DA P)-(6 DA O5')-(6 DA C5') -90.0 -30.0
&rst iat = 159, 160, 163, 164,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 6 ADE BETA: (6 DA P)-(6 DA O5')-(6 DA C5')-(6 DA C4') 150.0 210.0
&rst iat = 160, 163, 164, 167,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 6 ADE GAMMA: (6 DA O5')-(6 DA C5')-(6 DA C4')-(6 DA C3') 30.0 90.0
&rst iat = 163, 164, 167, 186,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 6 ADE DELTA: (6 DA C5')-(6 DA C4')-(6 DA C3')-(6 DA O3') 79.0 127.0
&rst iat = 164, 167, 186, 191,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 6 ADE EPSLN: (6 DA C4')-(6 DA C3')-(6 DA O3')-(7 DT P) 165.0 225.0
&rst iat = 167, 186, 191, 192,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 6 ADE ZETA: (6 DA C3')-(6 DA O3')-(7 DT P)-(7 DT O5') -135.0 -75.0
&rst iat = 186, 191, 192, 195,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 7 THY ALPHA: (6 DA O3')-(7 DT P)-(7 DT O5')-(7 DT C5') -90.0 -30.0
&rst iat = 191, 192, 195, 196,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 7 THY BETA: (7 DT P)-(7 DT O5')-(7 DT C5')-(7 DT C4') 150.0 210.0
&rst iat = 192, 195, 196, 199,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 7 THY GAMMA: (7 DT O5')-(7 DT C5')-(7 DT C4')-(7 DT C3') 30.0 90.0
&rst iat = 195, 196, 199, 218,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 7 THY DELTA: (7 DT C5')-(7 DT C4')-(7 DT C3')-(7 DT O3') 79.0 127.0
&rst iat = 196, 199, 218, 223,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 7 THY EPSLN: (7 DT C4')-(7 DT C3')-(7 DT O3')-(8 DT P) 165.0 225.0
&rst iat = 199, 218, 223, 224,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 7 THY ZETA: (7 DT C3')-(7 DT O3')-(8 DT P)-(8 DT O5') -135.0 -75.0
&rst iat = 218, 223, 224, 227,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 8 THY ALPHA: (7 DT O3')-(8 DT P)-(8 DT O5')-(8 DT C5') -90.0 -30.0
&rst iat = 223, 224, 227, 228,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 8 THY BETA: (8 DT P)-(8 DT O5')-(8 DT C5')-(8 DT C4') 150.0 210.0
&rst iat = 224, 227, 228, 231,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 8 THY GAMMA: (8 DT O5')-(8 DT C5')-(8 DT C4')-(8 DT C3') 30.0 90.0
&rst iat = 227, 228, 231, 250,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 8 THY DELTA: (8 DT C5')-(8 DT C4')-(8 DT C3')-(8 DT O3') 79.0 127.0
&rst iat = 228, 231, 250, 255,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 8 THY EPSLN: (8 DT C4')-(8 DT C3')-(8 DT O3')-(9 DMC P) 165.0 225.0
&rst iat = 231, 250, 255, 256,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 8 THY ZETA: (8 DT C3')-(8 DT O3')-(9 DMC P)-(9 DMC O5') -135.0 -75.0
&rst iat = 250, 255, 256, 259,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 9 DMC ALPHA: (8 DT O3')-(9 DMC P)-(9 DMC O5')-(9 DMC C5') -90.0 -30.0
&rst iat = 255, 256, 259, 260,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 9 DMC BETA: (9 DMC P)-(9 DMC O5')-(9 DMC C5')-(9 DMC C4') 150.0 210.0
&rst iat = 256, 259, 260, 263,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 9 DMC GAMMA: (9 DMC O5')-(9 DMC C5')-(9 DMC C4')-(9 DMC C3') 30.0 90.0
&rst iat = 259, 260, 263, 265,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 9 DMC DELTA: (9 DMC C5')-(9 DMC C4')-(9 DMC C3')-(9 DMC O3') 79.0 127.0
&rst iat = 260, 263, 265, 288,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 9 DMC EPSLN: (9 DMC C4')-(9 DMC C3')-(9 DMC O3')-(10 8OG P) 165.0 225.0
&rst iat = 263, 265, 288, 289,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 9 DMC ZETA: (9 DMC C3')-(9 DMC O3')-(10 8OG P)-(10 8OG O5') -135.0 -75.0
&rst iat = 265, 288, 289, 292,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 10 8OG ALPHA: (9 DMC O3')-(10 8OG P)-(10 8OG O5')-(10 8OG C5') -90.0 -30.0
&rst iat = 288, 289, 292, 293,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 10 8OG BETA: (10 8OG P)-(10 8OG O5')-(10 8OG C5')-(10 8OG C4') 150.0 210.0
&rst iat = 289, 292, 293, 296,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 10 8OG GAMMA: (10 8OG O5')-(10 8OG C5')-(10 8OG C4')-(10 8OG C3') 30.0 90.0
&rst iat = 292, 293, 296, 317,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 10 8OG DELTA: (10 8OG C5')-(10 8OG C4')-(10 8OG C3')-(10 8OG O3') 79.0 127.0
&rst iat = 293, 296, 317, 322,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 10 8OG EPSLN: (10 8OG C4')-(10 8OG C3')-(10 8OG O3')-(11 DC P) 215.0 295.0
&rst iat = 296, 317, 322, 323,
r1 = 214.0, r2 = 215.0, r3 = 295.0, r4 = 296.0,
rk2 = 512.0, rk3 = 512.0, &end
# 10 8OG ZETA: (10 8OG C3')-(10 8OG O3')-(11 DC P)-(11 DC O5') 155.0 205.0
&rst iat = 317, 322, 323, 326,
r1 = 154.0, r2 = 155.0, r3 = 205.0, r4 = 206.0,
&end
# 11 CYT ALPHA: (10 8OG O3')-(11 DC P)-(11 DC O5')-(11 DC C5') -90.0 -30.0
&rst iat = 322, 323, 326, 327,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
rk2 = 32.0, rk3 = 32.0, &end
# 11 CYT BETA: (11 DC P)-(11 DC O5')-(11 DC C5')-(11 DC C4') 150.0 210.0
&rst iat = 323, 326, 327, 330,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 11 CYT GAMMA: (11 DC O5')-(11 DC C5')-(11 DC C4')-(11 DC C3') 30.0 90.0
&rst iat = 326, 327, 330, 347,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 11 CYT DELTA: (11 DC C5')-(11 DC C4')-(11 DC C3')-(11 DC O3') 79.0 127.0
&rst iat = 327, 330, 347, 352,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 11 CYT EPSLN: (11 DC C4')-(11 DC C3')-(11 DC O3')-(12 DG3 P) 165.0 225.0
&rst iat = 330, 347, 352, 353,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 11 CYT ZETA: (11 DC C3')-(11 DC O3')-(12 DG3 P)-(12 DG3 O5') -135.0 -75.0
&rst iat = 347, 352, 353, 356,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 14 GUA ALPHA: (13 DC5 O3')-(14 DG P)-(14 DG O5')-(14 DG C5') -90.0 -30.0
&rst iat = 414, 415, 418, 419,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 14 GUA BETA: (14 DG P)-(14 DG O5')-(14 DG C5')-(14 DG C4') 150.0 210.0
&rst iat = 415, 418, 419, 422,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 14 GUA GAMMA: (14 DG O5')-(14 DG C5')-(14 DG C4')-(14 DG C3') 30.0 90.0
&rst iat = 418, 419, 422, 442,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 14 GUA DELTA: (14 DG C5')-(14 DG C4')-(14 DG C3')-(14 DG O3') 79.0 127.0
&rst iat = 419, 422, 442, 447,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 14 GUA EPSLN: (14 DG C4')-(14 DG C3')-(14 DG O3')-(15 DMC P) 165.0 225.0
&rst iat = 422, 442, 447, 448,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
rk2 = 512.0, rk3 = 512.0, &end
# 14 GUA ZETA: (14 DG C3')-(14 DG O3')-(15 DMC P)-(15 DMC O5') -135.0 -75.0
&rst iat = 442, 447, 448, 451,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
rk2 = 32.0, rk3 = 32.0, &end
# 15 DMC ALPHA: (14 DG O3')-(15 DMC P)-(15 DMC O5')-(15 DMC C5') -90.0 -30.0
&rst iat = 447, 448, 451, 452,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 15 DMC BETA: (15 DMC P)-(15 DMC O5')-(15 DMC C5')-(15 DMC C4') 150.0 210.0
&rst iat = 448, 451, 452, 455,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 15 DMC GAMMA: (15 DMC O5')-(15 DMC C5')-(15 DMC C4')-(15 DMC C3') 30.0 90.0
&rst iat = 451, 452, 455, 457,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 15 DMC DELTA: (15 DMC C5')-(15 DMC C4')-(15 DMC C3')-(15 DMC O3') 79.0 127.0
&rst iat = 452, 455, 457, 480,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 15 DMC EPSLN: (15 DMC C4')-(15 DMC C3')-(15 DMC O3')-(16 DG P) 165.0 225.0
&rst iat = 455, 457, 480, 481,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 15 DMC ZETA: (15 DMC C3')-(15 DMC O3')-(16 DG P)-(16 DG O5') -135.0 -75.0
&rst iat = 457, 480, 481, 484,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 16 GUA ALPHA: (15 DMC O3')-(16 DG P)-(16 DG O5')-(16 DG C5') -90.0 -30.0
&rst iat = 480, 481, 484, 485,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 16 GUA BETA: (16 DG P)-(16 DG O5')-(16 DG C5')-(16 DG C4') 150.0 210.0
&rst iat = 481, 484, 485, 488,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 16 GUA GAMMA: (16 DG O5')-(16 DG C5')-(16 DG C4')-(16 DG C3') 30.0 90.0
&rst iat = 484, 485, 488, 508,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 16 GUA DELTA: (16 DG C5')-(16 DG C4')-(16 DG C3')-(16 DG O3') 79.0 127.0
&rst iat = 485, 488, 508, 513,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 16 GUA EPSLN: (16 DG C4')-(16 DG C3')-(16 DG O3')-(17 DA P) 165.0 225.0
&rst iat = 488, 508, 513, 514,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 16 GUA ZETA: (16 DG C3')-(16 DG O3')-(17 DA P)-(17 DA O5') -135.0 -75.0
&rst iat = 508, 513, 514, 517,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
rk2 = 512.0, rk3 = 512.0, &end
# 17 ADE ALPHA: (16 DG O3')-(17 DA P)-(17 DA O5')-(17 DA C5') -90.0 -30.0
&rst iat = 513, 514, 517, 518,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
rk2 = 32.0, rk3 = 32.0, &end
# 17 ADE BETA: (17 DA P)-(17 DA O5')-(17 DA C5')-(17 DA C4') 150.0 210.0
&rst iat = 514, 517, 518, 521,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 17 ADE GAMMA: (17 DA O5')-(17 DA C5')-(17 DA C4')-(17 DA C3') 30.0 90.0
&rst iat = 517, 518, 521, 540,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 17 ADE DELTA: (17 DA C5')-(17 DA C4')-(17 DA C3')-(17 DA O3') 79.0 127.0
&rst iat = 518, 521, 540, 545,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 17 ADE EPSLN: (17 DA C4')-(17 DA C3')-(17 DA O3')-(18 DA P) 165.0 225.0
&rst iat = 521, 540, 545, 546,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 17 ADE ZETA: (17 DA C3')-(17 DA O3')-(18 DA P)-(18 DA O5') -135.0 -75.0
&rst iat = 540, 545, 546, 549,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 18 ADE ALPHA: (17 DA O3')-(18 DA P)-(18 DA O5')-(18 DA C5') -90.0 -30.0
&rst iat = 545, 546, 549, 550,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 18 ADE BETA: (18 DA P)-(18 DA O5')-(18 DA C5')-(18 DA C4') 150.0 210.0
&rst iat = 546, 549, 550, 553,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 18 ADE GAMMA: (18 DA O5')-(18 DA C5')-(18 DA C4')-(18 DA C3') 30.0 90.0
&rst iat = 549, 550, 553, 572,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 18 ADE DELTA: (18 DA C5')-(18 DA C4')-(18 DA C3')-(18 DA O3') 79.0 127.0
&rst iat = 550, 553, 572, 577,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 18 ADE EPSLN: (18 DA C4')-(18 DA C3')-(18 DA O3')-(19 DT P) 165.0 225.0
&rst iat = 553, 572, 577, 578,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 18 ADE ZETA: (18 DA C3')-(18 DA O3')-(19 DT P)-(19 DT O5') -135.0 -75.0
&rst iat = 572, 577, 578, 581,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 19 THY ALPHA: (18 DA O3')-(19 DT P)-(19 DT O5')-(19 DT C5') -90.0 -30.0
&rst iat = 577, 578, 581, 582,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 19 THY BETA: (19 DT P)-(19 DT O5')-(19 DT C5')-(19 DT C4') 150.0 210.0
&rst iat = 578, 581, 582, 585,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 19 THY GAMMA: (19 DT O5')-(19 DT C5')-(19 DT C4')-(19 DT C3') 30.0 90.0
&rst iat = 581, 582, 585, 604,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 19 THY DELTA: (19 DT C5')-(19 DT C4')-(19 DT C3')-(19 DT O3') 79.0 127.0
&rst iat = 582, 585, 604, 609,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 19 THY EPSLN: (19 DT C4')-(19 DT C3')-(19 DT O3')-(20 DT P) 165.0 225.0
&rst iat = 585, 604, 609, 610,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 19 THY ZETA: (19 DT C3')-(19 DT O3')-(20 DT P)-(20 DT O5') -135.0 -75.0
&rst iat = 604, 609, 610, 613,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 20 THY ALPHA: (19 DT O3')-(20 DT P)-(20 DT O5')-(20 DT C5') -90.0 -30.0
&rst iat = 609, 610, 613, 614,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 20 THY BETA: (20 DT P)-(20 DT O5')-(20 DT C5')-(20 DT C4') 150.0 210.0
&rst iat = 610, 613, 614, 617,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 20 THY GAMMA: (20 DT O5')-(20 DT C5')-(20 DT C4')-(20 DT C3') 30.0 90.0
&rst iat = 613, 614, 617, 636,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 20 THY DELTA: (20 DT C5')-(20 DT C4')-(20 DT C3')-(20 DT O3') 79.0 127.0
&rst iat = 614, 617, 636, 641,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 20 THY EPSLN: (20 DT C4')-(20 DT C3')-(20 DT O3')-(21 DMC P) 165.0 225.0
&rst iat = 617, 636, 641, 642,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 20 THY ZETA: (20 DT C3')-(20 DT O3')-(21 DMC P)-(21 DMC O5') -135.0 -75.0
&rst iat = 636, 641, 642, 645,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 21 DMC ALPHA: (20 DT O3')-(21 DMC P)-(21 DMC O5')-(21 DMC C5') -90.0 -30.0
&rst iat = 641, 642, 645, 646,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 21 DMC BETA: (21 DMC P)-(21 DMC O5')-(21 DMC C5')-(21 DMC C4') 150.0 210.0
&rst iat = 642, 645, 646, 649,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 21 DMC GAMMA: (21 DMC O5')-(21 DMC C5')-(21 DMC C4')-(21 DMC C3') 30.0 90.0
&rst iat = 645, 646, 649, 651,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 21 DMC DELTA: (21 DMC C5')-(21 DMC C4')-(21 DMC C3')-(21 DMC O3') 79.0 127.0
&rst iat = 646, 649, 651, 674,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 21 DMC EPSLN: (21 DMC C4')-(21 DMC C3')-(21 DMC O3')-(22 8OG P) 165.0 225.0
&rst iat = 649, 651, 674, 675,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 21 DMC ZETA: (21 DMC C3')-(21 DMC O3')-(22 8OG P)-(22 8OG O5') -135.0 -75.0
&rst iat = 651, 674, 675, 678,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
# 22 8OG ALPHA: (21 DMC O3')-(22 8OG P)-(22 8OG O5')-(22 8OG C5') -90.0 -30.0
&rst iat = 674, 675, 678, 679,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
&end
# 22 8OG BETA: (22 8OG P)-(22 8OG O5')-(22 8OG C5')-(22 8OG C4') 150.0 210.0
&rst iat = 675, 678, 679, 682,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 22 8OG GAMMA: (22 8OG O5')-(22 8OG C5')-(22 8OG C4')-(22 8OG C3') 30.0 90.0
&rst iat = 678, 679, 682, 703,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 22 8OG DELTA: (22 8OG C5')-(22 8OG C4')-(22 8OG C3')-(22 8OG O3') 79.0 127.0
&rst iat = 679, 682, 703, 708,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 22 8OG EPSLN: (22 8OG C4')-(22 8OG C3')-(22 8OG O3')-(23 DC P) 215.0 295.0
&rst iat = 682, 703, 708, 709,
r1 = 214.0, r2 = 215.0, r3 = 295.0, r4 = 296.0,
rk2 = 512.0, rk3 = 512.0, &end
# 22 8OG ZETA: (22 8OG C3')-(22 8OG O3')-(23 DC P)-(23 DC O5') 155.0 205.0
&rst iat = 703, 708, 709, 712,
r1 = 154.0, r2 = 155.0, r3 = 205.0, r4 = 206.0,
&end
# 23 CYT ALPHA: (22 8OG O3')-(23 DC P)-(23 DC O5')-(23 DC C5') -90.0 -30.0
&rst iat = 708, 709, 712, 713,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
rk2 = 32.0, rk3 = 32.0, &end
# 23 CYT BETA: (23 DC P)-(23 DC O5')-(23 DC C5')-(23 DC C4') 150.0 210.0
&rst iat = 709, 712, 713, 716,
r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0,
&end
# 23 CYT GAMMA: (23 DC O5')-(23 DC C5')-(23 DC C4')-(23 DC C3') 30.0 90.0
&rst iat = 712, 713, 716, 733,
r1 = 29.0, r2 = 30.0, r3 = 90.0, r4 = 91.0,
&end
# 23 CYT DELTA: (23 DC C5')-(23 DC C4')-(23 DC C3')-(23 DC O3') 79.0 127.0
&rst iat = 713, 716, 733, 738,
r1 = 78.0, r2 = 79.0, r3 = 127.0, r4 = 128.0,
&end
# 23 CYT EPSLN: (23 DC C4')-(23 DC C3')-(23 DC O3')-(24 DG3 P) 165.0 225.0
&rst iat = 716, 733, 738, 739,
r1 = 164.0, r2 = 165.0, r3 = 225.0, r4 = 226.0,
&end
# 23 CYT ZETA: (23 DC C3')-(23 DC O3')-(24 DG3 P)-(24 DG3 O5') -135.0 -75.0
&rst iat = 733, 738, 739, 742,
r1 = -136.0, r2 = -135.0, r3 = -75.0, r4 = -74.0,
&end
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