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 |
|
|
548938 |
2ll9   |
18040 | cing | 1-original | 2 | AMBER | dihedral angle |
#
# 695 atoms read from pdb file mTT1611new.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 = 50.0, rk3 = 50.0, /
# 3 THY ALPHA: (2 DG O3')-(3 DT P)-(3 DT O5')-(3 DT C5') -90.0 -30.0
&rst iat = 61, 62, 65, 66,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 4 CYT ALPHA: (3 DT O3')-(4 DC P)-(4 DC O5')-(4 DC C5') -90.0 -30.0
&rst iat = 93, 94, 97, 98,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 5 GUA ALPHA: (4 DC O3')-(5 DG P)-(5 DG O5')-(5 DG C5') -90.0 -30.0
&rst iat = 123, 124, 127, 128,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 7 ADE ALPHA: (6 DT O3')-(7 DA P)-(7 DA O5')-(7 DA C5') -90.0 -30.0
&rst iat = 188, 189, 192, 193,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 8 GUA ALPHA: (7 DA O3')-(8 DG P)-(8 DG O5')-(8 DG C5') -90.0 -30.0
&rst iat = 220, 221, 224, 225,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 9 THY ALPHA: (8 DG O3')-(9 DT P)-(9 DT O5')-(9 DT C5') -90.0 -30.0
&rst iat = 253, 254, 257, 258,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 10 GUA ALPHA: (9 DT O3')-(10 DG P)-(10 DG O5')-(10 DG C5') -90.0 -30.0
&rst iat = 285, 286, 289, 290,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 11 CYT ALPHA: (10 DG O3')-(11 DC3 P)-(11 DC3 O5')-(11 DC3 C5') -90.0 -30.0
&rst iat = 318, 319, 322, 323,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 2 GUA BETA: (2 DG P)-(2 DG O5')-(2 DG C5')-(2 DG C4') 90.0 240.0
&rst iat = 29, 32, 33, 36,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 3 THY BETA: (3 DT P)-(3 DT O5')-(3 DT C5')-(3 DT C4') 90.0 240.0
&rst iat = 62, 65, 66, 69,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 4 CYT BETA: (4 DC P)-(4 DC O5')-(4 DC C5')-(4 DC C4') 90.0 240.0
&rst iat = 94, 97, 98, 101,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 5 GUA BETA: (5 DG P)-(5 DG O5')-(5 DG C5')-(5 DG C4') 90.0 240.0
&rst iat = 124, 127, 128, 131,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 7 ADE BETA: (7 DA P)-(7 DA O5')-(7 DA C5')-(7 DA C4') 90.0 240.0
&rst iat = 189, 192, 193, 196,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 8 GUA BETA: (8 DG P)-(8 DG O5')-(8 DG C5')-(8 DG C4') 90.0 240.0
&rst iat = 221, 224, 225, 228,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 9 THY BETA: (9 DT P)-(9 DT O5')-(9 DT C5')-(9 DT C4') 90.0 240.0
&rst iat = 254, 257, 258, 261,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 10 GUA BETA: (10 DG P)-(10 DG O5')-(10 DG C5')-(10 DG C4') 90.0 240.0
&rst iat = 286, 289, 290, 293,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 11 CYT BETA: (11 DC3 P)-(11 DC3 O5')-(11 DC3 C5')-(11 DC3 C4') 90.0 240.0
&rst iat = 319, 322, 323, 326,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 2 GUA GAMMA: (2 DG O5')-(2 DG C5')-(2 DG C4')-(2 DG C3') 0.0 120.0
&rst iat = 32, 33, 36, 56,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 3 THY GAMMA: (3 DT O5')-(3 DT C5')-(3 DT C4')-(3 DT C3') 0.0 120.0
&rst iat = 65, 66, 69, 88,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 4 CYT GAMMA: (4 DC O5')-(4 DC C5')-(4 DC C4')-(4 DC C3') 0.0 120.0
&rst iat = 97, 98, 101, 118,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 5 GUA GAMMA: (5 DG O5')-(5 DG C5')-(5 DG C4')-(5 DG C3') 0.0 120.0
&rst iat = 127, 128, 131, 151,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 7 ADE GAMMA: (7 DA O5')-(7 DA C5')-(7 DA C4')-(7 DA C3') 0.0 120.0
&rst iat = 192, 193, 196, 215,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 8 GUA GAMMA: (8 DG O5')-(8 DG C5')-(8 DG C4')-(8 DG C3') 0.0 120.0
&rst iat = 224, 225, 228, 248,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 9 THY GAMMA: (9 DT O5')-(9 DT C5')-(9 DT C4')-(9 DT C3') 0.0 120.0
&rst iat = 257, 258, 261, 280,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 10 GUA GAMMA: (10 DG O5')-(10 DG C5')-(10 DG C4')-(10 DG C3') 0.0 120.0
&rst iat = 289, 290, 293, 313,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 11 CYT GAMMA: (11 DC3 O5')-(11 DC3 C5')-(11 DC3 C4')-(11 DC3 C3') 0.0 120.0
&rst iat = 322, 323, 326, 343,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 1 CYT EPSILN: (1 DC5 C4')-(1 DC5 C3')-(1 DC5 O3')-(2 DG P) -240.0 10.0
&rst iat = 6, 23, 28, 29,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 2 GUA EPSILN: (2 DG C4')-(2 DG C3')-(2 DG O3')-(3 DT P) -240.0 10.0
&rst iat = 36, 56, 61, 62,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 3 THY EPSILN: (3 DT C4')-(3 DT C3')-(3 DT O3')-(4 DC P) -240.0 10.0
&rst iat = 69, 88, 93, 94,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 4 CYT EPSILN: (4 DC C4')-(4 DC C3')-(4 DC O3')-(5 DG P) -240.0 10.0
&rst iat = 101, 118, 123, 124,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 5 GUA EPSILN: (5 DG C4')-(5 DG C3')-(5 DG O3')-(6 DT P) -240.0 10.0
&rst iat = 131, 151, 156, 157,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 7 ADE EPSILN: (7 DA C4')-(7 DA C3')-(7 DA O3')-(8 DG P) -240.0 10.0
&rst iat = 196, 215, 220, 221,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 8 GUA EPSILN: (8 DG C4')-(8 DG C3')-(8 DG O3')-(9 DT P) -240.0 10.0
&rst iat = 228, 248, 253, 254,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 9 THY EPSILN: (9 DT C4')-(9 DT C3')-(9 DT O3')-(10 DG P) -240.0 10.0
&rst iat = 261, 280, 285, 286,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 10 GUA EPSILN: (10 DG C4')-(10 DG C3')-(10 DG O3')-(11 DC3 P) -240.0 10.0
&rst iat = 293, 313, 318, 319,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 1 CYT ZETA: (1 DC5 C3')-(1 DC5 O3')-(2 DG P)-(2 DG O5') 150.0 315.0
&rst iat = 23, 28, 29, 32,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 2 GUA ZETA: (2 DG C3')-(2 DG O3')-(3 DT P)-(3 DT O5') 150.0 315.0
&rst iat = 56, 61, 62, 65,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 3 THY ZETA: (3 DT C3')-(3 DT O3')-(4 DC P)-(4 DC O5') 150.0 315.0
&rst iat = 88, 93, 94, 97,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 4 CYT ZETA: (4 DC C3')-(4 DC O3')-(5 DG P)-(5 DG O5') 150.0 315.0
&rst iat = 118, 123, 124, 127,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 5 GUA ZETA: (5 DG C3')-(5 DG O3')-(6 DT P)-(6 DT O5') 150.0 315.0
&rst iat = 151, 156, 157, 160,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 7 ADE ZETA: (7 DA C3')-(7 DA O3')-(8 DG P)-(8 DG O5') 150.0 315.0
&rst iat = 215, 220, 221, 224,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 8 GUA ZETA: (8 DG C3')-(8 DG O3')-(9 DT P)-(9 DT O5') 150.0 315.0
&rst iat = 248, 253, 254, 257,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 9 THY ZETA: (9 DT C3')-(9 DT O3')-(10 DG P)-(10 DG O5') 150.0 315.0
&rst iat = 280, 285, 286, 289,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 10 GUA ZETA: (10 DG C3')-(10 DG O3')-(11 DC3 P)-(11 DC3 O5') 150.0 315.0
&rst iat = 313, 318, 319, 322,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 13 CYT ALPHA: (12 DG5 O3')-(13 DC P)-(13 DC O5')-(13 DC C5') -90.0 -30.0
&rst iat = 380, 381, 384, 385,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 14 ADE ALPHA: (13 DC O3')-(14 DA P)-(14 DA O5')-(14 DA C5') -90.0 -30.0
&rst iat = 410, 411, 414, 415,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 15 CYT ALPHA: (14 DA O3')-(15 DC P)-(15 DC O5')-(15 DC C5') -90.0 -30.0
&rst iat = 442, 443, 446, 447,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 16 THY ALPHA: (15 DC O3')-(16 DT P)-(16 DT O5')-(16 DT C5') -90.0 -30.0
&rst iat = 472, 473, 476, 477,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 18 CYT ALPHA: (17 DT O3')-(18 DC P)-(18 DC O5')-(18 DC C5') -90.0 -30.0
&rst iat = 536, 537, 540, 541,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 19 GUA ALPHA: (18 DC O3')-(19 DG P)-(19 DG O5')-(19 DG C5') -90.0 -30.0
&rst iat = 566, 567, 570, 571,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 20 ADE ALPHA: (19 DG O3')-(20 DA P)-(20 DA O5')-(20 DA C5') -90.0 -30.0
&rst iat = 599, 600, 603, 604,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 21 CYT ALPHA: (20 DA O3')-(21 DC P)-(21 DC O5')-(21 DC C5') -90.0 -30.0
&rst iat = 631, 632, 635, 636,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 22 GUA ALPHA: (21 DC O3')-(22 DG3 P)-(22 DG3 O5')-(22 DG3 C5') -90.0 -30.0
&rst iat = 661, 662, 665, 666,
r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0,
/
# 13 CYT BETA: (13 DC P)-(13 DC O5')-(13 DC C5')-(13 DC C4') 90.0 240.0
&rst iat = 381, 384, 385, 388,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 14 ADE BETA: (14 DA P)-(14 DA O5')-(14 DA C5')-(14 DA C4') 90.0 240.0
&rst iat = 411, 414, 415, 418,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 15 CYT BETA: (15 DC P)-(15 DC O5')-(15 DC C5')-(15 DC C4') 90.0 240.0
&rst iat = 443, 446, 447, 450,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 16 THY BETA: (16 DT P)-(16 DT O5')-(16 DT C5')-(16 DT C4') 90.0 240.0
&rst iat = 473, 476, 477, 480,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 18 CYT BETA: (18 DC P)-(18 DC O5')-(18 DC C5')-(18 DC C4') 90.0 240.0
&rst iat = 537, 540, 541, 544,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 19 GUA BETA: (19 DG P)-(19 DG O5')-(19 DG C5')-(19 DG C4') 90.0 240.0
&rst iat = 567, 570, 571, 574,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 20 ADE BETA: (20 DA P)-(20 DA O5')-(20 DA C5')-(20 DA C4') 90.0 240.0
&rst iat = 600, 603, 604, 607,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 21 CYT BETA: (21 DC P)-(21 DC O5')-(21 DC C5')-(21 DC C4') 90.0 240.0
&rst iat = 632, 635, 636, 639,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 22 GUA BETA: (22 DG3 P)-(22 DG3 O5')-(22 DG3 C5')-(22 DG3 C4') 90.0 240.0
&rst iat = 662, 665, 666, 669,
r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0,
/
# 12 GUA GAMMA: (12 DG5 O5')-(12 DG5 C5')-(12 DG5 C4')-(12 DG5 C3') 0.0 120.0
&rst iat = 351, 352, 355, 375,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 13 CYT GAMMA: (13 DC O5')-(13 DC C5')-(13 DC C4')-(13 DC C3') 0.0 120.0
&rst iat = 384, 385, 388, 405,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 14 ADE GAMMA: (14 DA O5')-(14 DA C5')-(14 DA C4')-(14 DA C3') 0.0 120.0
&rst iat = 414, 415, 418, 437,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 15 CYT GAMMA: (15 DC O5')-(15 DC C5')-(15 DC C4')-(15 DC C3') 0.0 120.0
&rst iat = 446, 447, 450, 467,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 16 THY GAMMA: (16 DT O5')-(16 DT C5')-(16 DT C4')-(16 DT C3') 0.0 120.0
&rst iat = 476, 477, 480, 499,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 18 CYT GAMMA: (18 DC O5')-(18 DC C5')-(18 DC C4')-(18 DC C3') 0.0 120.0
&rst iat = 540, 541, 544, 561,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 19 GUA GAMMA: (19 DG O5')-(19 DG C5')-(19 DG C4')-(19 DG C3') 0.0 120.0
&rst iat = 570, 571, 574, 594,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 20 ADE GAMMA: (20 DA O5')-(20 DA C5')-(20 DA C4')-(20 DA C3') 0.0 120.0
&rst iat = 603, 604, 607, 626,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 21 CYT GAMMA: (21 DC O5')-(21 DC C5')-(21 DC C4')-(21 DC C3') 0.0 120.0
&rst iat = 635, 636, 639, 656,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 22 GUA GAMMA: (22 DG3 O5')-(22 DG3 C5')-(22 DG3 C4')-(22 DG3 C3') 0.0 120.0
&rst iat = 665, 666, 669, 689,
r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0,
/
# 12 GUA EPSILN: (12 DG5 C4')-(12 DG5 C3')-(12 DG5 O3')-(13 DC P) -240.0 10.0
&rst iat = 355, 375, 380, 381,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 13 CYT EPSILN: (13 DC C4')-(13 DC C3')-(13 DC O3')-(14 DA P) -240.0 10.0
&rst iat = 388, 405, 410, 411,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 14 ADE EPSILN: (14 DA C4')-(14 DA C3')-(14 DA O3')-(15 DC P) -240.0 10.0
&rst iat = 418, 437, 442, 443,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 15 CYT EPSILN: (15 DC C4')-(15 DC C3')-(15 DC O3')-(16 DT P) -240.0 10.0
&rst iat = 450, 467, 472, 473,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 16 THY EPSILN: (16 DT C4')-(16 DT C3')-(16 DT O3')-(17 DT P) -240.0 10.0
&rst iat = 480, 499, 504, 505,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 18 CYT EPSILN: (18 DC C4')-(18 DC C3')-(18 DC O3')-(19 DG P) -240.0 10.0
&rst iat = 544, 561, 566, 567,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 19 GUA EPSILN: (19 DG C4')-(19 DG C3')-(19 DG O3')-(20 DA P) -240.0 10.0
&rst iat = 574, 594, 599, 600,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 20 ADE EPSILN: (20 DA C4')-(20 DA C3')-(20 DA O3')-(21 DC P) -240.0 10.0
&rst iat = 607, 626, 631, 632,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 21 CYT EPSILN: (21 DC C4')-(21 DC C3')-(21 DC O3')-(22 DG3 P) -240.0 10.0
&rst iat = 639, 656, 661, 662,
r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0,
/
# 12 GUA ZETA: (12 DG5 C3')-(12 DG5 O3')-(13 DC P)-(13 DC O5') 150.0 315.0
&rst iat = 375, 380, 381, 384,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 13 CYT ZETA: (13 DC C3')-(13 DC O3')-(14 DA P)-(14 DA O5') 150.0 315.0
&rst iat = 405, 410, 411, 414,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 14 ADE ZETA: (14 DA C3')-(14 DA O3')-(15 DC P)-(15 DC O5') 150.0 315.0
&rst iat = 437, 442, 443, 446,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 15 CYT ZETA: (15 DC C3')-(15 DC O3')-(16 DT P)-(16 DT O5') 150.0 315.0
&rst iat = 467, 472, 473, 476,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 16 THY ZETA: (16 DT C3')-(16 DT O3')-(17 DT P)-(17 DT O5') 150.0 315.0
&rst iat = 499, 504, 505, 508,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 18 CYT ZETA: (18 DC C3')-(18 DC O3')-(19 DG P)-(19 DG O5') 150.0 315.0
&rst iat = 561, 566, 567, 570,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 19 GUA ZETA: (19 DG C3')-(19 DG O3')-(20 DA P)-(20 DA O5') 150.0 315.0
&rst iat = 594, 599, 600, 603,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 20 ADE ZETA: (20 DA C3')-(20 DA O3')-(21 DC P)-(21 DC O5') 150.0 315.0
&rst iat = 626, 631, 632, 635,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
# 21 CYT ZETA: (21 DC C3')-(21 DC O3')-(22 DG3 P)-(22 DG3 O5') 150.0 315.0
&rst iat = 656, 661, 662, 665,
r1 = 149.0, r2 = 150.0, r3 = 315.0, r4 = 316.0,
/
#(1 DC C4)-(1 DC N4)-(22 DG O6)-(22 DG C6) -10.0 10.0
&rst iat = 16, 17, 680, 679,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
rk2 = 100.0, rk3 = 100.0, /
#(1 DC C2)-(1 DC N3)-(22 DG N1)-(22 DG C2) -10.0 10.0
&rst iat = 21, 20, 681, 683,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(1 DC C2)-(1 DC O2)-(22 DG N2)-(22 DG C2) -10.0 10.0
&rst iat = 21, 22, 684, 683,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(11 DC C4)-(11 DC N4)-(12 DG O6)-(12 DG C6) -10.0 10.0
&rst iat = 336, 337, 366, 365,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(11 DC C2)-(11 DC N3)-(12 DG N1)-(12 DG C2) -10.0 10.0
&rst iat = 341, 340, 367, 369,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(11 DC C2)-(11 DC O2)-(12 DG N2)-(12 DG C2) -10.0 10.0
&rst iat = 341, 342, 370, 369,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(2 DG C6)-(2 DG 06)-(21 DC N4)-(21 DC C4) -10.0 10.0
&rst iat = 46, 47, 650, 649,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
rk2 = 50.0, rk3 = 50.0, /
#(2 DG C2)-(2 DG N1)-(21 DC N3)-(21 DC C2) -10.0 10.0
&rst iat = 50, 48, 653, 654,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(2 DG C2)-(2 DG N2)-(21 DC O2)-(21 DC C2) -10.0 10.0
&rst iat = 50, 51, 655, 654,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(3 DT C4)-(3 DT O4)-(20 DA N6)-(20 DA C6) -10.0 10.0
&rst iat = 82, 83, 618, 617,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
rk2 = 50.0, rk3 = 50.0,
/
#(3 DT C2)-(3 DT N3)-(20 DA N1)-(20 DA C2) -10.0 10.0
&rst iat = 86, 84, 621, 622,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(4 DC C4)-(4 DC N4)-(19 DG O6)-(19 DG C6) -10.0 10.0
&rst iat = 111, 112, 585, 584,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(4 DC C2)-(4 DC N3)-(19 DG N1)-(19 DG C2) -10.0 10.0
&rst iat = 116, 115, 586, 588,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(4 DC C2)-(4 DC O2)-(19 DG N2)-(19 DG C2) -10.0 10.0
&rst iat = 116, 117, 589, 588,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(5 DG C6)-(5 DG 06)-(18 DC N4)-(18 DC C4) -10.0 10.0
&rst iat = 141, 142, 555, 554,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(5 DG C2)-(5 DG N1)-(18 DC N3)-(18 DC C2) -10.0 10.0
&rst iat = 145, 143, 558, 559,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(5 DG C2)-(5 DG N2)-(18 DC O2)-(18 DC C2) -10.0 10.0
&rst iat = 145, 146, 560, 559,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(7 DA C6)-(7 DA N6)-(16 DT O4)-(16 DT C4) -10.0 10.0
&rst iat = 206, 207, 494, 493,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
rk2 = 50.0, rk3 = 50.0,
/
#(7 DA C2)-(7 DA N1)-(16 DT N3)-(16 DT C2) -10.0 10.0
&rst iat = 211, 210, 495, 497,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(8 DG C6)-(8 DG 06)-(15 DC N4)-(15 DC C4) -10.0 10.0
&rst iat = 238, 239, 461, 460,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(8 DG C2)-(8 DG N1)-(15 DC N3)-(15 DC C2) -10.0 10.0
&rst iat = 242, 240, 464, 465,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(8 DG C2)-(8 DG N2)-(15 DC O2)-(15 DC C2) -10.0 10.0
&rst iat = 242, 243, 466, 465,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(9 DT C4)-(9 DT O4)-(14 DA N6)-(14 DA C6) -10.0 10.0
&rst iat = 274, 275, 429, 428,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
rk2 = 50.0, rk3 = 50.0,
/
#(9 DT C2)-(9 DT N3)-(14 DA N1)-(14 DA C2) -10.0 10.0
&rst iat = 278, 276, 432, 433,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(10 DG C6)-(10 DG 06)-(13 DC N4)-(13 DC C4) -10.0 10.0
&rst iat = 303, 304, 399, 398,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(10 DG C2)-(10 DG N1)-(13 DC N3)-(13 DC C2) -10.0 10.0
&rst iat = 307, 305, 402, 403,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
#(10 DG C2)-(10 DG N2)-(13 DC O2)-(13 DC C2) -10.0 10.0
&rst iat = 307, 308, 404, 403,
r1 = -11.0, r2 = -10.0, r3 = 10.0, r4 = 11.0,
/
# 1 CYT NU0: (1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2') -52.6 -22.6
&rst iat = 6, 8, 9, 25,
r1 = -53.6, r2 = -52.6, r3 = -22.6, r4 = -21.6,
/
# 1 CYT NU1: (1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3') 13.9 43.9
&rst iat = 8, 9, 25, 23,
r1 = 12.9, r2 = 13.9, r3 = 43.9, r4 = 44.9,
/
# 1 CYT NU2: (1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4') -24.6 5.4
&rst iat = 9, 25, 23, 6,
r1 = -25.6, r2 = -24.6, r3 = 5.4, r4 = 6.4,
/
# 1 CYT NU3: (1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4') -28.3 1.7
&rst iat = 25, 23, 6, 8,
r1 = -29.3, r2 = -28.3, r3 = 1.7, r4 = 2.7,
/
# 1 CYT NU4: (1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1') 16.2 46.2
&rst iat = 23, 6, 8, 9,
r1 = 15.2, r2 = 16.2, r3 = 46.2, r4 = 47.2,
/
# 2 GUA NU0: (2 DG C4')-(2 DG O4')-(2 DG C1')-(2 DG C2') -40.4 -10.4
&rst iat = 36, 38, 39, 58,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 2 GUA NU1: (2 DG O4')-(2 DG C1')-(2 DG C2')-(2 DG C3') 21.6 51.6
&rst iat = 38, 39, 58, 56,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 2 GUA NU2: (2 DG C1')-(2 DG C2')-(2 DG C3')-(2 DG C4') -48.7 -18.7
&rst iat = 39, 58, 56, 36,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 2 GUA NU3: (2 DG C2')-(2 DG C3')-(2 DG C4')-(2 DG O4') 3.0 33.0
&rst iat = 58, 56, 36, 38,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 2 GUA NU4: (2 DG C3')-(2 DG C4')-(2 DG O4')-(2 DG C1') -10.4 19.6
&rst iat = 56, 36, 38, 39,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 3 THY NU0: (3 DT C4')-(3 DT O4')-(3 DT C1')-(3 DT C2') -40.4 -10.4
&rst iat = 69, 71, 72, 90,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 3 THY NU1: (3 DT O4')-(3 DT C1')-(3 DT C2')-(3 DT C3') 21.6 51.6
&rst iat = 71, 72, 90, 88,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 3 THY NU2: (3 DT C1')-(3 DT C2')-(3 DT C3')-(3 DT C4') -48.7 -18.7
&rst iat = 72, 90, 88, 69,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 3 THY NU3: (3 DT C2')-(3 DT C3')-(3 DT C4')-(3 DT O4') 3.0 33.0
&rst iat = 90, 88, 69, 71,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 3 THY NU4: (3 DT C3')-(3 DT C4')-(3 DT O4')-(3 DT C1') -10.4 19.6
&rst iat = 88, 69, 71, 72,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 4 CYT NU0: (4 DC C4')-(4 DC O4')-(4 DC C1')-(4 DC C2') -40.4 -10.4
&rst iat = 101, 103, 104, 120,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 4 CYT NU1: (4 DC O4')-(4 DC C1')-(4 DC C2')-(4 DC C3') 21.6 51.6
&rst iat = 103, 104, 120, 118,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 4 CYT NU2: (4 DC C1')-(4 DC C2')-(4 DC C3')-(4 DC C4') -48.7 -18.7
&rst iat = 104, 120, 118, 101,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 4 CYT NU3: (4 DC C2')-(4 DC C3')-(4 DC C4')-(4 DC O4') 3.0 33.0
&rst iat = 120, 118, 101, 103,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 4 CYT NU4: (4 DC C3')-(4 DC C4')-(4 DC O4')-(4 DC C1') -10.4 19.6
&rst iat = 118, 101, 103, 104,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 5 GUA NU0: (5 DG C4')-(5 DG O4')-(5 DG C1')-(5 DG C2') -40.4 -10.4
&rst iat = 131, 133, 134, 153,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 5 GUA NU1: (5 DG O4')-(5 DG C1')-(5 DG C2')-(5 DG C3') 21.6 51.6
&rst iat = 133, 134, 153, 151,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 5 GUA NU2: (5 DG C1')-(5 DG C2')-(5 DG C3')-(5 DG C4') -48.7 -18.7
&rst iat = 134, 153, 151, 131,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 5 GUA NU3: (5 DG C2')-(5 DG C3')-(5 DG C4')-(5 DG O4') 3.0 33.0
&rst iat = 153, 151, 131, 133,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 5 GUA NU4: (5 DG C3')-(5 DG C4')-(5 DG O4')-(5 DG C1') -10.4 19.6
&rst iat = 151, 131, 133, 134,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 7 ADE NU0: (7 DA C4')-(7 DA O4')-(7 DA C1')-(7 DA C2') -40.4 -10.4
&rst iat = 196, 198, 199, 217,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 7 ADE NU1: (7 DA O4')-(7 DA C1')-(7 DA C2')-(7 DA C3') 21.6 51.6
&rst iat = 198, 199, 217, 215,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 7 ADE NU2: (7 DA C1')-(7 DA C2')-(7 DA C3')-(7 DA C4') -48.7 -18.7
&rst iat = 199, 217, 215, 196,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 7 ADE NU3: (7 DA C2')-(7 DA C3')-(7 DA C4')-(7 DA O4') 3.0 33.0
&rst iat = 217, 215, 196, 198,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 7 ADE NU4: (7 DA C3')-(7 DA C4')-(7 DA O4')-(7 DA C1') -10.4 19.6
&rst iat = 215, 196, 198, 199,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 8 GUA NU0: (8 DG C4')-(8 DG O4')-(8 DG C1')-(8 DG C2') -40.4 -10.4
&rst iat = 228, 230, 231, 250,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 8 GUA NU1: (8 DG O4')-(8 DG C1')-(8 DG C2')-(8 DG C3') 21.6 51.6
&rst iat = 230, 231, 250, 248,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 8 GUA NU2: (8 DG C1')-(8 DG C2')-(8 DG C3')-(8 DG C4') -48.7 -18.7
&rst iat = 231, 250, 248, 228,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 8 GUA NU3: (8 DG C2')-(8 DG C3')-(8 DG C4')-(8 DG O4') 3.0 33.0
&rst iat = 250, 248, 228, 230,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 8 GUA NU4: (8 DG C3')-(8 DG C4')-(8 DG O4')-(8 DG C1') -10.4 19.6
&rst iat = 248, 228, 230, 231,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 9 THY NU0: (9 DT C4')-(9 DT O4')-(9 DT C1')-(9 DT C2') -40.4 -10.4
&rst iat = 261, 263, 264, 282,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 9 THY NU1: (9 DT O4')-(9 DT C1')-(9 DT C2')-(9 DT C3') 21.6 51.6
&rst iat = 263, 264, 282, 280,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 9 THY NU2: (9 DT C1')-(9 DT C2')-(9 DT C3')-(9 DT C4') -48.7 -18.7
&rst iat = 264, 282, 280, 261,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 9 THY NU3: (9 DT C2')-(9 DT C3')-(9 DT C4')-(9 DT O4') 3.0 33.0
&rst iat = 282, 280, 261, 263,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 9 THY NU4: (9 DT C3')-(9 DT C4')-(9 DT O4')-(9 DT C1') -10.4 19.6
&rst iat = 280, 261, 263, 264,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 10 GUA NU0: (10 DG C4')-(10 DG O4')-(10 DG C1')-(10 DG C2') -40.4 -10.4
&rst iat = 293, 295, 296, 315,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 10 GUA NU1: (10 DG O4')-(10 DG C1')-(10 DG C2')-(10 DG C3') 21.6 51.6
&rst iat = 295, 296, 315, 313,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 10 GUA NU2: (10 DG C1')-(10 DG C2')-(10 DG C3')-(10 DG C4') -48.7 -18.7
&rst iat = 296, 315, 313, 293,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 10 GUA NU3: (10 DG C2')-(10 DG C3')-(10 DG C4')-(10 DG O4') 3.0 33.0
&rst iat = 315, 313, 293, 295,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 10 GUA NU4: (10 DG C3')-(10 DG C4')-(10 DG O4')-(10 DG C1') -10.4 19.6
&rst iat = 313, 293, 295, 296,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 11 CYT NU0: (11 DC3 C4')-(11 DC3 O4')-(11 DC3 C1')-(11 DC3 C2') -40.4 -10.4
&rst iat = 326, 328, 329, 345,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 11 CYT NU1: (11 DC3 O4')-(11 DC3 C1')-(11 DC3 C2')-(11 DC3 C3') 21.6 51.6
&rst iat = 328, 329, 345, 343,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 11 CYT NU2: (11 DC3 C1')-(11 DC3 C2')-(11 DC3 C3')-(11 DC3 C4') -48.7 -18.7
&rst iat = 329, 345, 343, 326,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 11 CYT NU3: (11 DC3 C2')-(11 DC3 C3')-(11 DC3 C4')-(11 DC3 O4') 3.0 33.0
&rst iat = 345, 343, 326, 328,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 11 CYT NU4: (11 DC3 C3')-(11 DC3 C4')-(11 DC3 O4')-(11 DC3 C1') -10.4 19.6
&rst iat = 343, 326, 328, 329,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 12 GUA NU0: (12 DG5 C4')-(12 DG5 O4')-(12 DG5 C1')-(12 DG5 C2') -40.4 -10.4
&rst iat = 355, 357, 358, 377,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 12 GUA NU1: (12 DG5 O4')-(12 DG5 C1')-(12 DG5 C2')-(12 DG5 C3') 21.6 51.6
&rst iat = 357, 358, 377, 375,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 12 GUA NU2: (12 DG5 C1')-(12 DG5 C2')-(12 DG5 C3')-(12 DG5 C4') -48.7 -18.7
&rst iat = 358, 377, 375, 355,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 12 GUA NU3: (12 DG5 C2')-(12 DG5 C3')-(12 DG5 C4')-(12 DG5 O4') 3.0 33.0
&rst iat = 377, 375, 355, 357,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 12 GUA NU4: (12 DG5 C3')-(12 DG5 C4')-(12 DG5 O4')-(12 DG5 C1') -10.4 19.6
&rst iat = 375, 355, 357, 358,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 13 CYT NU0: (13 DC C4')-(13 DC O4')-(13 DC C1')-(13 DC C2') -40.4 -10.4
&rst iat = 388, 390, 391, 407,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 13 CYT NU1: (13 DC O4')-(13 DC C1')-(13 DC C2')-(13 DC C3') 21.6 51.6
&rst iat = 390, 391, 407, 405,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 13 CYT NU2: (13 DC C1')-(13 DC C2')-(13 DC C3')-(13 DC C4') -48.7 -18.7
&rst iat = 391, 407, 405, 388,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 13 CYT NU3: (13 DC C2')-(13 DC C3')-(13 DC C4')-(13 DC O4') 3.0 33.0
&rst iat = 407, 405, 388, 390,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 13 CYT NU4: (13 DC C3')-(13 DC C4')-(13 DC O4')-(13 DC C1') -10.4 19.6
&rst iat = 405, 388, 390, 391,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 14 ADE NU0: (14 DA C4')-(14 DA O4')-(14 DA C1')-(14 DA C2') -40.4 -10.4
&rst iat = 418, 420, 421, 439,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 14 ADE NU1: (14 DA O4')-(14 DA C1')-(14 DA C2')-(14 DA C3') 21.6 51.6
&rst iat = 420, 421, 439, 437,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 14 ADE NU2: (14 DA C1')-(14 DA C2')-(14 DA C3')-(14 DA C4') -48.7 -18.7
&rst iat = 421, 439, 437, 418,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 14 ADE NU3: (14 DA C2')-(14 DA C3')-(14 DA C4')-(14 DA O4') 3.0 33.0
&rst iat = 439, 437, 418, 420,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 14 ADE NU4: (14 DA C3')-(14 DA C4')-(14 DA O4')-(14 DA C1') -10.4 19.6
&rst iat = 437, 418, 420, 421,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 15 CYT NU0: (15 DC C4')-(15 DC O4')-(15 DC C1')-(15 DC C2') -40.4 -10.4
&rst iat = 450, 452, 453, 469,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 15 CYT NU1: (15 DC O4')-(15 DC C1')-(15 DC C2')-(15 DC C3') 21.6 51.6
&rst iat = 452, 453, 469, 467,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 15 CYT NU2: (15 DC C1')-(15 DC C2')-(15 DC C3')-(15 DC C4') -48.7 -18.7
&rst iat = 453, 469, 467, 450,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 15 CYT NU3: (15 DC C2')-(15 DC C3')-(15 DC C4')-(15 DC O4') 3.0 33.0
&rst iat = 469, 467, 450, 452,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 15 CYT NU4: (15 DC C3')-(15 DC C4')-(15 DC O4')-(15 DC C1') -10.4 19.6
&rst iat = 467, 450, 452, 453,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 16 THY NU0: (16 DT C4')-(16 DT O4')-(16 DT C1')-(16 DT C2') -40.4 -10.4
&rst iat = 480, 482, 483, 501,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 16 THY NU1: (16 DT O4')-(16 DT C1')-(16 DT C2')-(16 DT C3') 21.6 51.6
&rst iat = 482, 483, 501, 499,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 16 THY NU2: (16 DT C1')-(16 DT C2')-(16 DT C3')-(16 DT C4') -48.7 -18.7
&rst iat = 483, 501, 499, 480,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 16 THY NU3: (16 DT C2')-(16 DT C3')-(16 DT C4')-(16 DT O4') 3.0 33.0
&rst iat = 501, 499, 480, 482,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 16 THY NU4: (16 DT C3')-(16 DT C4')-(16 DT O4')-(16 DT C1') -10.4 19.6
&rst iat = 499, 480, 482, 483,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 18 CYT NU0: (18 DC C4')-(18 DC O4')-(18 DC C1')-(18 DC C2') -40.4 -10.4
&rst iat = 544, 546, 547, 563,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 18 CYT NU1: (18 DC O4')-(18 DC C1')-(18 DC C2')-(18 DC C3') 21.6 51.6
&rst iat = 546, 547, 563, 561,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 18 CYT NU2: (18 DC C1')-(18 DC C2')-(18 DC C3')-(18 DC C4') -48.7 -18.7
&rst iat = 547, 563, 561, 544,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 18 CYT NU3: (18 DC C2')-(18 DC C3')-(18 DC C4')-(18 DC O4') 3.0 33.0
&rst iat = 563, 561, 544, 546,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 18 CYT NU4: (18 DC C3')-(18 DC C4')-(18 DC O4')-(18 DC C1') -10.4 19.6
&rst iat = 561, 544, 546, 547,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 19 GUA NU0: (19 DG C4')-(19 DG O4')-(19 DG C1')-(19 DG C2') -40.4 -10.4
&rst iat = 574, 576, 577, 596,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 19 GUA NU1: (19 DG O4')-(19 DG C1')-(19 DG C2')-(19 DG C3') 21.6 51.6
&rst iat = 576, 577, 596, 594,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 19 GUA NU2: (19 DG C1')-(19 DG C2')-(19 DG C3')-(19 DG C4') -48.7 -18.7
&rst iat = 577, 596, 594, 574,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 19 GUA NU3: (19 DG C2')-(19 DG C3')-(19 DG C4')-(19 DG O4') 3.0 33.0
&rst iat = 596, 594, 574, 576,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 19 GUA NU4: (19 DG C3')-(19 DG C4')-(19 DG O4')-(19 DG C1') -10.4 19.6
&rst iat = 594, 574, 576, 577,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 20 ADE NU0: (20 DA C4')-(20 DA O4')-(20 DA C1')-(20 DA C2') -40.4 -10.4
&rst iat = 607, 609, 610, 628,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 20 ADE NU1: (20 DA O4')-(20 DA C1')-(20 DA C2')-(20 DA C3') 21.6 51.6
&rst iat = 609, 610, 628, 626,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 20 ADE NU2: (20 DA C1')-(20 DA C2')-(20 DA C3')-(20 DA C4') -48.7 -18.7
&rst iat = 610, 628, 626, 607,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 20 ADE NU3: (20 DA C2')-(20 DA C3')-(20 DA C4')-(20 DA O4') 3.0 33.0
&rst iat = 628, 626, 607, 609,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 20 ADE NU4: (20 DA C3')-(20 DA C4')-(20 DA O4')-(20 DA C1') -10.4 19.6
&rst iat = 626, 607, 609, 610,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 21 CYT NU0: (21 DC C4')-(21 DC O4')-(21 DC C1')-(21 DC C2') -40.4 -10.4
&rst iat = 639, 641, 642, 658,
r1 = -41.4, r2 = -40.4, r3 = -10.4, r4 = -9.4,
/
# 21 CYT NU1: (21 DC O4')-(21 DC C1')-(21 DC C2')-(21 DC C3') 21.6 51.6
&rst iat = 641, 642, 658, 656,
r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6,
/
# 21 CYT NU2: (21 DC C1')-(21 DC C2')-(21 DC C3')-(21 DC C4') -48.7 -18.7
&rst iat = 642, 658, 656, 639,
r1 = -49.7, r2 = -48.7, r3 = -18.7, r4 = -17.7,
/
# 21 CYT NU3: (21 DC C2')-(21 DC C3')-(21 DC C4')-(21 DC O4') 3.0 33.0
&rst iat = 658, 656, 639, 641,
r1 = 2.0, r2 = 3.0, r3 = 33.0, r4 = 34.0,
/
# 21 CYT NU4: (21 DC C3')-(21 DC C4')-(21 DC O4')-(21 DC C1') -10.4 19.6
&rst iat = 656, 639, 641, 642,
r1 = -11.4, r2 = -10.4, r3 = 19.6, r4 = 20.6,
/
# 22 GUA NU0: (22 DG3 C4')-(22 DG3 O4')-(22 DG3 C1')-(22 DG3 C2') -52.6 -22.6
&rst iat = 669, 671, 672, 691,
r1 = -53.6, r2 = -52.6, r3 = -22.6, r4 = -21.6,
/
# 22 GUA NU1: (22 DG3 O4')-(22 DG3 C1')-(22 DG3 C2')-(22 DG3 C3') 13.9 43.9
&rst iat = 671, 672, 691, 689,
r1 = 12.9, r2 = 13.9, r3 = 43.9, r4 = 44.9,
/
# 22 GUA NU2: (22 DG3 C1')-(22 DG3 C2')-(22 DG3 C3')-(22 DG3 C4') -24.6 5.4
&rst iat = 672, 691, 689, 669,
r1 = -25.6, r2 = -24.6, r3 = 5.4, r4 = 6.4,
/
# 22 GUA NU3: (22 DG3 C2')-(22 DG3 C3')-(22 DG3 C4')-(22 DG3 O4') -28.3 1.7
&rst iat = 691, 689, 669, 671,
r1 = -29.3, r2 = -28.3, r3 = 1.7, r4 = 2.7,
/
# 22 GUA NU4: (22 DG3 C3')-(22 DG3 C4')-(22 DG3 O4')-(22 DG3 C1') 16.2 46.2
&rst iat = 689, 669, 671, 672,
r1 = 15.2, r2 = 16.2, r3 = 46.2, r4 = 47.2,
/
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