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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573169 |
2mjx   |
19745 | cing | 1-original | 2 | AMBER | dihedral angle |
# 884 atoms read from pdb file gg_m_amb.pdb. # 1 GUA GAMMA: (1 DG5 O5')-(1 DG5 C5')-(1 DG5 C4')-(1 DG5 C3') 20.0 100.0 &rst iat = 2, 3, 6, 26, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, rk2 = 2.0, rk3 = 2.0, &end # 2 CYT GAMMA: (2 DC O5')-(2 DC C5')-(2 DC C4')-(2 DC C3') 20.0 100.0 &rst iat = 35, 36, 39, 56, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 3 GUA GAMMA: (3 DG O5')-(3 DG C5')-(3 DG C4')-(3 DG C3') 20.0 100.0 &rst iat = 65, 66, 69, 89, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 4 CYT GAMMA: (4 DC O5')-(4 DC C5')-(4 DC C4')-(4 DC C3') 20.0 100.0 &rst iat = 98, 99, 102, 119, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 5 ADE GAMMA: (5 DA O5')-(5 DA C5')-(5 DA C4')-(5 DA C3') 20.0 100.0 &rst iat = 128, 129, 132, 151, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 6 THY GAMMA: (6 DT O5')-(6 DT C5')-(6 DT C4')-(6 DT C3') 20.0 100.0 &rst iat = 160, 161, 164, 183, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 7 GUA GAMMA: (7 DG O5')-(7 DG C5')-(7 DG C4')-(7 DG C3') 20.0 100.0 &rst iat = 192, 193, 196, 216, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 8 CYT GAMMA: (8 DC O5')-(8 DC C5')-(8 DC C4')-(8 DC C3') 20.0 100.0 &rst iat = 225, 226, 229, 246, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 9 THY GAMMA: (9 DT O5')-(9 DT C5')-(9 DT C4')-(9 DT C3') 20.0 100.0 &rst iat = 255, 256, 259, 278, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 10 ADE GAMMA: (10 DA O5')-(10 DA C5')-(10 DA C4')-(10 DA C3') 20.0 100.0 &rst iat = 287, 288, 291, 310, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 11 CYT GAMMA: (11 DC O5')-(11 DC C5')-(11 DC C4')-(11 DC C3') 20.0 100.0 &rst iat = 319, 320, 323, 340, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 12 GUA GAMMA: (12 DG O5')-(12 DG C5')-(12 DG C4')-(12 DG C3') 20.0 100.0 &rst iat = 349, 350, 353, 373, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 13 CYT GAMMA: (13 DC O5')-(13 DC C5')-(13 DC C4')-(13 DC C3') 20.0 100.0 &rst iat = 382, 383, 386, 403, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 14 GUA GAMMA: (14 DG3 O5')-(14 DG3 C5')-(14 DG3 C4')-(14 DG3 C3') 20.0 100.0 &rst iat = 412, 413, 416, 436, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 15 CYT GAMMA: (15 DC5 O5')-(15 DC5 C5')-(15 DC5 C4')-(15 DC5 C3') 20.0 100.0 &rst iat = 444, 445, 448, 465, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 16 GUA GAMMA: (16 DG O5')-(16 DG C5')-(16 DG C4')-(16 DG C3') 20.0 100.0 &rst iat = 474, 475, 478, 498, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 17 GUA GAMMA: (17 DC O5')-(17 DC C5')-(17 DC C4')-(17 DC C3') 20.0 100.0 &rst iat = 507, 508, 511, 528, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 18 CYT GAMMA: (18 DG O5')-(18 DG C5')-(18 DG C4')-(18 DG C3') 20.0 100.0 &rst iat = 537, 538, 541, 561, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 19 THY GAMMA: (19 DT O5')-(19 DT C5')-(19 DT C4')-(19 DT C3') 20.0 100.0 &rst iat = 570, 571, 574, 593, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 20 ADE GAMMA: (20 DA O5')-(20 DA C5')-(20 DA C4')-(20 DA C3') 20.0 100.0 &rst iat = 602, 603, 606, 625, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 21 CYT GAMMA: (21 DC O5')-(21 DC C5')-(21 DC C4')-(21 DC C3') 20.0 100.0 &rst iat = 634, 635, 638, 655, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 22 GUA GAMMA: (22 DG O5')-(22 DG C5')-(22 DG C4')-(22 DG C3') 20.0 100.0 &rst iat = 664, 665, 668, 688, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 23 ADE GAMMA: (23 DA O5')-(23 DA C5')-(23 DA C4')-(23 DA C3') 20.0 100.0 &rst iat = 697, 698, 701, 720, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 24 THY GAMMA: (24 DT O5')-(24 DT C5')-(24 DT C4')-(24 DT C3') 20.0 100.0 &rst iat = 729, 730, 733, 752, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 25 GUA GAMMA: (25 DG O5')-(25 DG C5')-(25 DG C4')-(25 DG C3') 20.0 100.0 &rst iat = 761, 762, 765, 785, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 26 CYT GAMMA: (26 DC O5')-(26 DC C5')-(26 DC C4')-(26 DC C3') 20.0 100.0 &rst iat = 794, 795, 798, 815, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 27 GUA GAMMA: (27 DG O5')-(27 DG C5')-(27 DG C4')-(27 DG C3') 20.0 100.0 &rst iat = 824, 825, 828, 848, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 28 CYT GAMMA: (28 DC3 O5')-(28 DC3 C5')-(28 DC3 C4')-(28 DC3 C3') 20.0 100.0 &rst iat = 857, 858, 861, 878, r1 = 19.0, r2 = 20.0, r3 = 100.0, r4 = 101.0, &end # 1 GUA DELTA: (1 DG5 C5')-(1 DG5 C4')-(1 DG5 C3')-(1 DG5 O3') 110.0 170.0 &rst iat = 3, 6, 26, 31, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 2 CYT DELTA: (2 DC C5')-(2 DC C4')-(2 DC C3')-(2 DC O3') 110.0 170.0 &rst iat = 36, 39, 56, 61, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 3 GUA DELTA: (3 DG C5')-(3 DG C4')-(3 DG C3')-(3 DG O3') 110.0 170.0 &rst iat = 66, 69, 89, 94, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 4 CYT DELTA: (4 DC C5')-(4 DC C4')-(4 DC C3')-(4 DC O3') 110.0 170.0 &rst iat = 99, 102, 119, 124, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 5 ADE DELTA: (5 DA C5')-(5 DA C4')-(5 DA C3')-(5 DA O3') 110.0 170.0 &rst iat = 129, 132, 151, 156, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 6 THY DELTA: (6 DT C5')-(6 DT C4')-(6 DT C3')-(6 DT O3') 110.0 170.0 &rst iat = 161, 164, 183, 188, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 7 GUA DELTA: (7 DG C5')-(7 DG C4')-(7 DG C3')-(7 DG O3') 110.0 170.0 &rst iat = 193, 196, 216, 221, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 8 CYT DELTA: (8 DC C5')-(8 DC C4')-(8 DC C3')-(8 DC O3') 110.0 170.0 &rst iat = 226, 229, 246, 251, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 9 THY DELTA: (9 DT C5')-(9 DT C4')-(9 DT C3')-(9 DT O3') 110.0 170.0 &rst iat = 256, 259, 278, 283, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 10 ADE DELTA: (10 DA C5')-(10 DA C4')-(10 DA C3')-(10 DA O3') 110.0 170.0 &rst iat = 288, 291, 310, 315, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 11 CYT DELTA: (11 DC C5')-(11 DC C4')-(11 DC C3')-(11 DC O3') 110.0 170.0 &rst iat = 320, 323, 340, 345, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 12 GUA DELTA: (12 DG C5')-(12 DG C4')-(12 DG C3')-(12 DG O3') 110.0 170.0 &rst iat = 350, 353, 373, 378, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 13 CYT DELTA: (13 DC C5')-(13 DC C4')-(13 DC C3')-(13 DC O3') 110.0 170.0 &rst iat = 383, 386, 403, 408, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 14 GUA DELTA: (14 DG3 C5')-(14 DG3 C4')-(14 DG3 C3')-(14 DG3 O3') 110.0 170.0 &rst iat = 413, 416, 436, 441, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 15 CYT DELTA: (15 DC5 C5')-(15 DC5 C4')-(15 DC5 C3')-(15 DC5 O3') 110.0 170.0 &rst iat = 445, 448, 465, 470, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 16 GUA DELTA: (16 DG C5')-(16 DG C4')-(16 DG C3')-(16 DG O3') 110.0 170.0 &rst iat = 475, 478, 498, 503, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 17 CYT DELTA: (17 DC C5')-(17 DC C4')-(17 DC C3')-(17 DC O3') 110.0 170.0 &rst iat = 508, 511, 528, 533, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 18 GUA DELTA: (18 DG C5')-(18 DG C4')-(18 DG C3')-(18 DG O3') 110.0 170.0 &rst iat = 538, 541, 561, 566, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 19 THY DELTA: (19 DT C5')-(19 DT C4')-(19 DT C3')-(19 DT O3') 110.0 170.0 &rst iat = 571, 574, 593, 598, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 20 ADE DELTA: (20 DA C5')-(20 DA C4')-(20 DA C3')-(20 DA O3') 110.0 170.0 &rst iat = 603, 606, 625, 630, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 21 CYT DELTA: (21 DC C5')-(21 DC C4')-(21 DC C3')-(21 DC O3') 110.0 170.0 &rst iat = 635, 638, 655, 660, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 22 GUA DELTA: (22 DG C5')-(22 DG C4')-(22 DG C3')-(22 DG O3') 110.0 170.0 &rst iat = 665, 668, 688, 693, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 23 ADE DELTA: (23 DA C5')-(23 DA C4')-(23 DA C3')-(23 DA O3') 110.0 170.0 &rst iat = 698, 701, 720, 725, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 24 THY DELTA: (24 DT C5')-(24 DT C4')-(24 DT C3')-(24 DT O3') 110.0 170.0 &rst iat = 730, 733, 752, 757, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 25 GUA DELTA: (25 DG C5')-(25 DG C4')-(25 DG C3')-(25 DG O3') 110.0 170.0 &rst iat = 762, 765, 785, 790, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 26 CYT DELTA: (26 DC C5')-(26 DC C4')-(26 DC C3')-(26 DC O3') 110.0 170.0 &rst iat = 795, 798, 815, 820, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 27 GUA DELTA: (27 DG C5')-(27 DG C4')-(27 DG C3')-(27 DG O3') 110.0 170.0 &rst iat = 825, 828, 848, 853, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 28 CYT DELTA: (28 DC3 C5')-(28 DC3 C4')-(28 DC3 C3')-(28 DC3 O3') 110.0 170.0 &rst iat = 858, 861, 878, 883, r1 = 109.0, r2 = 110.0, r3 = 170.0, r4 = 171.0, &end # 1 GUA EPSILN: (1 DG5 C4')-(1 DG5 C3')-(1 DG5 O3')-(2 DC P) 140.0 220.0 &rst iat = 6, 26, 31, 32, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 2 CYT EPSILN: (2 DC C4')-(2 DC C3')-(2 DC O3')-(3 DG P) 140.0 220.0 &rst iat = 39, 56, 61, 62, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 3 GUA EPSILN: (3 DG C4')-(3 DG C3')-(3 DG O3')-(4 DC P) 140.0 220.0 &rst iat = 69, 89, 94, 95, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 4 CYT EPSILN: (4 DC C4')-(4 DC C3')-(4 DC O3')-(5 DA P) 140.0 220.0 &rst iat = 102, 119, 124, 125, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 5 ADE EPSILN: (5 DA C4')-(5 DA C3')-(5 DA O3')-(6 DT P) 140.0 220.0 &rst iat = 132, 151, 156, 157, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 6 THY EPSILN: (6 DT C4')-(6 DT C3')-(6 DT O3')-(7 DG P) 140.0 220.0 &rst iat = 164, 183, 188, 189, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 7 GUA EPSILN: (7 DG C4')-(7 DG C3')-(7 DG O3')-(8 DC P) 140.0 220.0 &rst iat = 196, 216, 221, 222, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 8 CYT EPSILN: (8 DC C4')-(8 DC C3')-(8 DC O3')-(9 DT P) 140.0 220.0 &rst iat = 229, 246, 251, 252, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 9 THY EPSILN: (9 DT C4')-(9 DT C3')-(9 DT O3')-(10 DA P) 140.0 220.0 &rst iat = 259, 278, 283, 284, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 10 ADE EPSILN: (10 DA C4')-(10 DA C3')-(10 DA O3')-(11 DC P) 140.0 220.0 &rst iat = 291, 310, 315, 316, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 11 CYT EPSILN: (11 DC C4')-(11 DC C3')-(11 DC O3')-(12 DG P) 140.0 220.0 &rst iat = 323, 340, 345, 346, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 12 GUA EPSILN: (12 DG C4')-(12 DG C3')-(12 DG O3')-(13 DC P) 140.0 220.0 &rst iat = 353, 373, 378, 379, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 13 CYT EPSILN: (13 DC C4')-(13 DC C3')-(13 DC O3')-(14 DG3 P) 140.0 220.0 &rst iat = 386, 403, 408, 409, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 15 CYT EPSILN: (15 DC5 C4')-(15 DC5 C3')-(15 DC5 O3')-(16 DG P) 140.0 220.0 &rst iat = 448, 465, 470, 471, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 16 GUA EPSILN: (16 DG C4')-(16 DG C3')-(16 DG O3')-(17 DC P) 140.0 220.0 &rst iat = 478, 498, 503, 504, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 17 CYT EPSILN: (17 DC C4')-(17 DC C3')-(17 DC O3')-(18 DG P) 140.0 220.0 &rst iat = 511, 528, 533, 534, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 18 GUA EPSILN: (18 DG C4')-(18 DG C3')-(18 DG O3')-(19 DT P) 140.0 220.0 &rst iat = 541, 561, 566, 567, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 19 THY EPSILN: (19 DT C4')-(19 DT C3')-(19 DT O3')-(20 DA P) 140.0 220.0 &rst iat = 574, 593, 598, 599, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 20 ADE EPSILN: (20 DA C4')-(20 DA C3')-(20 DA O3')-(21 DC P) 140.0 220.0 &rst iat = 606, 625, 630, 631, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 21 CYT EPSILN: (21 DC C4')-(21 DC C3')-(21 DC O3')-(22 DG P) 140.0 220.0 &rst iat = 638, 655, 660, 661, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 22 GUA EPSILN: (22 DG C4')-(22 DG C3')-(22 DG O3')-(23 DA P) 140.0 220.0 &rst iat = 668, 688, 693, 694, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 23 ADE EPSILN: (23 DA C4')-(23 DA C3')-(23 DA O3')-(24 DT P) 140.0 220.0 &rst iat = 701, 720, 725, 726, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 24 THY EPSILN: (24 DT C4')-(24 DT C3')-(24 DT O3')-(25 DG P) 140.0 220.0 &rst iat = 733, 752, 757, 758, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 25 GUA EPSILN: (25 DG C4')-(25 DG C3')-(25 DG O3')-(26 DC P) 140.0 220.0 &rst iat = 765, 785, 790, 791, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 26 CYT EPSILN: (26 DC C4')-(26 DC C3')-(26 DC O3')-(27 DG P) 140.0 220.0 &rst iat = 798, 815, 820, 821, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 27 GUA EPSILN: (27 DG C4')-(27 DG C3')-(27 DG O3')-(28 DC3 P) 140.0 220.0 &rst iat = 828, 848, 853, 854, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 1 GUA ZETA: (1 DG5 C3')-(1 DG5 O3')-(2 DC P)-(2 DC O5') 260.0 340.0 &rst iat = 26, 31, 32, 35, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 2 CYT ZETA: (2 DC C3')-(2 DC O3')-(3 DG P)-(3 DG O5') 260.0 340.0 &rst iat = 56, 61, 62, 65, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 3 GUA ZETA: (3 DG C3')-(3 DG O3')-(4 DC P)-(4 DC O5') 260.0 340.0 &rst iat = 89, 94, 95, 98, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 4 CYT ZETA: (4 DC C3')-(4 DC O3')-(5 DA P)-(5 DA O5') 260.0 340.0 &rst iat = 119, 124, 125, 128, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 5 ADE ZETA: (5 DA C3')-(5 DA O3')-(6 DT P)-(6 DT O5') 260.0 340.0 &rst iat = 151, 156, 157, 160, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 6 THY ZETA: (6 DT C3')-(6 DT O3')-(7 DG P)-(7 DG O5') 260.0 340.0 &rst iat = 183, 188, 189, 192, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 7 GUA ZETA: (7 DG C3')-(7 DG O3')-(8 DC P)-(8 DC O5') 260.0 340.0 &rst iat = 216, 221, 222, 225, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 8 CYT ZETA: (8 DC C3')-(8 DC O3')-(9 DT P)-(9 DT O5') 260.0 340.0 &rst iat = 246, 251, 252, 255, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 9 THY ZETA: (9 DT C3')-(9 DT O3')-(10 DA P)-(10 DA O5') 260.0 340.0 &rst iat = 278, 283, 284, 287, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 10 ADE ZETA: (10 DA C3')-(10 DA O3')-(11 DC P)-(11 DC O5') 260.0 340.0 &rst iat = 310, 315, 316, 319, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 11 CYT ZETA: (11 DC C3')-(11 DC O3')-(12 DG P)-(12 DG O5') 260.0 340.0 &rst iat = 340, 345, 346, 349, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 12 GUA ZETA: (12 DG C3')-(12 DG O3')-(13 DC P)-(13 DC O5') 260.0 340.0 &rst iat = 373, 378, 379, 382, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 13 CYT ZETA: (13 DC C3')-(13 DC O3')-(14 DG3 P)-(14 DG3 O5') 260.0 340.0 &rst iat = 403, 408, 409, 412, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 15 CYT ZETA: (15 DC5 C3')-(15 DC5 O3')-(16 DG P)-(16 DG O5') 260.0 340.0 &rst iat = 465, 470, 471, 474, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 16 GUA ZETA: (16 DG C3')-(16 DG O3')-(17 DC P)-(17 DC O5') 260.0 340.0 &rst iat = 498, 503, 504, 507, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 17 CYT ZETA: (17 DC C3')-(17 DC O3')-(18 DG P)-(18 DG O5') 260.0 340.0 &rst iat = 528, 533, 534, 537, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 18 GUA ZETA: (18 DG C3')-(18 DG O3')-(19 DT P)-(19 DT O5') 260.0 340.0 &rst iat = 561, 566, 567, 570, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 19 THY ZETA: (19 DT C3')-(19 DT O3')-(20 DA P)-(20 DA O5') 260.0 340.0 &rst iat = 593, 598, 599, 602, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 20 ADE ZETA: (20 DA C3')-(20 DA O3')-(21 DC P)-(21 DC O5') 260.0 340.0 &rst iat = 625, 630, 631, 634, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 21 CYT ZETA: (21 DC C3')-(21 DC O3')-(22 DG P)-(22 DG O5') 260.0 340.0 &rst iat = 655, 660, 661, 664, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 22 GUA ZETA: (22 DG C3')-(22 DG O3')-(23 DA P)-(23 DA O5') 260.0 340.0 &rst iat = 688, 693, 694, 697, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 23 ADE ZETA: (23 DA C3')-(23 DA O3')-(24 DT P)-(24 DT O5') 260.0 340.0 &rst iat = 720, 725, 726, 729, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 24 THY ZETA: (24 DT C3')-(24 DT O3')-(25 DG P)-(25 DG O5') 260.0 340.0 &rst iat = 752, 757, 758, 761, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 25 GUA ZETA: (25 DG C3')-(25 DG O3')-(26 DC P)-(26 DC O5') 260.0 340.0 &rst iat = 785, 790, 791, 794, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 26 CYT ZETA: (26 DC C3')-(26 DC O3')-(27 DG P)-(27 DG O5') 260.0 340.0 &rst iat = 815, 820, 821, 824, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 27 GUA ZETA: (27 DG C3')-(27 DG O3')-(28 DC3 P)-(28 DC3 O5') 260.0 340.0 &rst iat = 848, 853, 854, 857, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 2 CYT ALPHA: (1 DG5 O3')-(2 DC P)-(2 DC O5')-(2 DC C5') 260.0 340.0 &rst iat = 31, 32, 35, 36, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 3 GUA ALPHA: (2 DC O3')-(3 DG P)-(3 DG O5')-(3 DG C5') 260.0 340.0 &rst iat = 61, 62, 65, 66, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 4 CYT ALPHA: (3 DG O3')-(4 DC P)-(4 DC O5')-(4 DC C5') 260.0 340.0 &rst iat = 94, 95, 98, 99, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 5 ADE ALPHA: (4 DC O3')-(5 DA P)-(5 DA O5')-(5 DA C5') 260.0 340.0 &rst iat = 124, 125, 128, 129, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 6 THY ALPHA: (5 DA O3')-(6 DT P)-(6 DT O5')-(6 DT C5') 260.0 340.0 &rst iat = 156, 157, 160, 161, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 7 GUA ALPHA: (6 DT O3')-(7 DG P)-(7 DG O5')-(7 DG C5') 260.0 340.0 &rst iat = 188, 189, 192, 193, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 8 GUA ALPHA: (7 DG O3')-(8 DC P)-(8 DC O5')-(8 DC C5') 260.0 340.0 &rst iat = 221, 222, 225, 226, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 9 THY ALPHA: (8 DC O3')-(9 DT P)-(9 DT O5')-(9 DT C5') 260.0 340.0 &rst iat = 251, 252, 255, 256, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 10 ADE ALPHA: (9 DT O3')-(10 DA P)-(10 DA O5')-(10 DA C5') 260.0 340.0 &rst iat = 283, 284, 287, 288, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 11 CYT ALPHA: (10 DA O3')-(11 DC P)-(11 DC O5')-(11 DC C5') 260.0 340.0 &rst iat = 315, 316, 319, 320, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 12 GUA ALPHA: (11 DC O3')-(12 DG P)-(12 DG O5')-(12 DG C5') 260.0 340.0 &rst iat = 345, 346, 349, 350, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 13 CYT ALPHA: (12 DG O3')-(13 DC P)-(13 DC O5')-(13 DC C5') 260.0 340.0 &rst iat = 378, 379, 382, 383, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 14 GUA ALPHA: (13 DC O3')-(14 DG3 P)-(14 DG3 O5')-(14 DG3 C5') 260.0 340.0 &rst iat = 408, 409, 412, 413, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 16 GUA ALPHA: (15 DC5 O3')-(16 DG P)-(16 DG O5')-(16 DG C5') 260.0 340.0 &rst iat = 470, 471, 474, 475, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 17 CYT ALPHA: (16 DG O3')-(17 DC P)-(17 DC O5')-(17 DC C5') 260.0 340.0 &rst iat = 503, 504, 507, 508, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 18 GUA ALPHA: (17 DC O3')-(18 DG P)-(18 DG O5')-(18 DG C5') 260.0 340.0 &rst iat = 533, 534, 537, 538, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 19 THY ALPHA: (18 DG O3')-(19 DT P)-(19 DT O5')-(19 DT C5') 260.0 340.0 &rst iat = 566, 567, 570, 571, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 20 ADE ALPHA: (19 DT O3')-(20 DA P)-(20 DA O5')-(20 DA C5') 260.0 340.0 &rst iat = 598, 599, 602, 603, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 21 CYT ALPHA: (20 DA O3')-(21 DC P)-(21 DC O5')-(21 DC C5') 260.0 340.0 &rst iat = 630, 631, 634, 635, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 22 GUA ALPHA: (21 DC O3')-(22 DG P)-(22 DG O5')-(22 DG C5') 260.0 340.0 &rst iat = 660, 661, 664, 665, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 23 ADE ALPHA: (22 DG O3')-(23 DA P)-(23 DA O5')-(23 DA C5') 260.0 340.0 &rst iat = 693, 694, 697, 698, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 24 THY ALPHA: (23 DA O3')-(24 DT P)-(24 DT O5')-(24 DT C5') 260.0 340.0 &rst iat = 725, 726, 729, 730, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 25 GUA ALPHA: (24 DT O3')-(25 DG P)-(25 DG O5')-(25 DG C5') 260.0 340.0 &rst iat = 757, 758, 761, 762, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 26 CYT ALPHA: (25 DG O3')-(26 DC P)-(26 DC O5')-(26 DC C5') 260.0 340.0 &rst iat = 790, 791, 794, 795, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 27 GUA ALPHA: (26 DC O3')-(27 DG P)-(27 DG O5')-(27 DG C5') 260.0 340.0 &rst iat = 820, 821, 824, 825, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 28 CYT ALPHA: (27 DG O3')-(28 DC3 P)-(28 DC3 O5')-(28 DC3 C5') 260.0 340.0 &rst iat = 853, 854, 857, 858, r1 = 259.0, r2 = 260.0, r3 = 340.0, r4 = 341.0, &end # 2 CYT BETA: (2 DC P)-(2 DC O5')-(2 DC C5')-(2 DC C4') 140.0 220.0 &rst iat = 32, 35, 36, 39, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 3 GUA BETA: (3 DG P)-(3 DG O5')-(3 DG C5')-(3 DG C4') 140.0 220.0 &rst iat = 62, 65, 66, 69, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 4 CYT BETA: (4 DC P)-(4 DC O5')-(4 DC C5')-(4 DC C4') 140.0 220.0 &rst iat = 95, 98, 99, 102, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 5 ADE BETA: (5 DA P)-(5 DA O5')-(5 DA C5')-(5 DA C4') 140.0 220.0 &rst iat = 125, 128, 129, 132, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 6 THY BETA: (6 DT P)-(6 DT O5')-(6 DT C5')-(6 DT C4') 140.0 220.0 &rst iat = 157, 160, 161, 164, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 7 GUA BETA: (7 DG P)-(7 DG O5')-(7 DG C5')-(7 DG C4') 140.0 220.0 &rst iat = 189, 192, 193, 196, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 8 CYT BETA: (8 DC P)-(8 DC O5')-(8 DC C5')-(8 DC C4') 140.0 220.0 &rst iat = 222, 225, 226, 229, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 9 THY BETA: (9 DT P)-(9 DT O5')-(9 DT C5')-(9 DT C4') 140.0 220.0 &rst iat = 252, 255, 256, 259, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 10 ADE BETA: (10 DA P)-(10 DA O5')-(10 DA C5')-(10 DA C4') 140.0 220.0 &rst iat = 284, 287, 288, 291, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 11 CYT BETA: (11 DC P)-(11 DC O5')-(11 DC C5')-(11 DC C4') 140.0 220.0 &rst iat = 316, 319, 320, 323, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 12 GUA BETA: (12 DG P)-(12 DG O5')-(12 DG C5')-(12 DG C4') 140.0 220.0 &rst iat = 346, 349, 350, 353, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 13 CYT BETA: (13 DC P)-(13 DC O5')-(13 DC C5')-(13 DC C4') 140.0 220.0 &rst iat = 379, 382, 383, 386, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 14 GUA BETA: (14 DG3 P)-(14 DG3 O5')-(14 DG3 C5')-(14 DG3 C4') 140.0 220.0 &rst iat = 409, 412, 413, 416, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 16 GUA BETA: (16 DG P)-(16 DG O5')-(16 DG C5')-(16 DG C4') 140.0 220.0 &rst iat = 471, 474, 475, 478, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 17 CYT BETA: (17 DC P)-(17 DC O5')-(17 DC C5')-(17 DC C4') 140.0 220.0 &rst iat = 504, 507, 508, 511, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 18 GUA BETA: (18 DG P)-(18 DG O5')-(18 DG C5')-(18 DG C4') 140.0 220.0 &rst iat = 534, 537, 538, 541, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 19 THY BETA: (19 DT P)-(19 DT O5')-(19 DT C5')-(19 DT C4') 140.0 220.0 &rst iat = 567, 570, 571, 574, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 20 ADE BETA: (20 DA P)-(20 DA O5')-(20 DA C5')-(20 DA C4') 140.0 220.0 &rst iat = 599, 602, 603, 606, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 21 CYT BETA: (21 DC P)-(21 DC O5')-(21 DC C5')-(21 DC C4') 140.0 220.0 &rst iat = 631, 634, 635, 638, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 22 GUA BETA: (22 DG P)-(22 DG O5')-(22 DG C5')-(22 DG C4') 140.0 220.0 &rst iat = 661, 664, 665, 668, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 23 ADE BETA: (23 DA P)-(23 DA O5')-(23 DA C5')-(23 DA C4') 140.0 220.0 &rst iat = 694, 697, 698, 701, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 24 THY BETA: (24 DT P)-(24 DT O5')-(24 DT C5')-(24 DT C4') 140.0 220.0 &rst iat = 726, 729, 730, 733, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 25 GUA BETA: (25 DG P)-(25 DG O5')-(25 DG C5')-(25 DG C4') 140.0 220.0 &rst iat = 758, 761, 762, 765, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 26 CYT BETA: (26 DC P)-(26 DC O5')-(26 DC C5')-(26 DC C4') 140.0 220.0 &rst iat = 791, 794, 795, 798, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 27 GUA BETA: (27 DG P)-(27 DG O5')-(27 DG C5')-(27 DG C4') 140.0 220.0 &rst iat = 821, 824, 825, 828, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 28 CYT BETA: (28 DC3 P)-(28 DC3 O5')-(28 DC3 C5')-(28 DC3 C4') 140.0 220.0 &rst iat = 854, 857, 858, 861, r1 = 139.0, r2 = 140.0, r3 = 220.0, r4 = 221.0, &end # 884 atoms read from pdb file gg_m_amb.pdb. # 1 GUA NU0: (1 DG5 C4')-(1 DG5 O4')-(1 DG5 C1')-(1 DG5 C2') -36.5 -6.5 &rst iat = 6, 8, 9, 28, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, rk2 = 2.0, rk3 = 2.0, &end # 1 GUA NU1: (1 DG5 O4')-(1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3') 18.8 48.8 &rst iat = 8, 9, 28, 26, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 1 GUA NU2: (1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4') -47.9 -17.9 &rst iat = 9, 28, 26, 6, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 1 GUA NU3: (1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4')-(1 DG5 O4') 4.5 34.5 &rst iat = 28, 26, 6, 8, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 1 GUA NU4: (1 DG5 C3')-(1 DG5 C4')-(1 DG5 O4')-(1 DG5 C1') -15.0 17.5 &rst iat = 26, 6, 8, 9, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 2 CYT NU0: (2 DC C4')-(2 DC O4')-(2 DC C1')-(2 DC C2') -36.5 -6.5 &rst iat = 39, 41, 42, 58, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 2 CYT NU1: (2 DC O4')-(2 DC C1')-(2 DC C2')-(2 DC C3') 18.8 48.8 &rst iat = 41, 42, 58, 56, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 2 CYT NU2: (2 DC C1')-(2 DC C2')-(2 DC C3')-(2 DC C4') -47.9 -17.9 &rst iat = 42, 58, 56, 39, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 2 CYT NU3: (2 DC C2')-(2 DC C3')-(2 DC C4')-(2 DC O4') 4.5 34.5 &rst iat = 58, 56, 39, 41, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 2 CYT NU4: (2 DC C3')-(2 DC C4')-(2 DC O4')-(2 DC C1') -15.0 17.5 &rst iat = 56, 39, 41, 42, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 3 GUA NU0: (3 DG C4')-(3 DG O4')-(3 DG C1')-(3 DG C2') -36.5 -6.5 &rst iat = 69, 71, 72, 91, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 3 GUA NU1: (3 DG O4')-(3 DG C1')-(3 DG C2')-(3 DG C3') 18.8 48.8 &rst iat = 71, 72, 91, 89, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 3 GUA NU2: (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') -47.9 -17.9 &rst iat = 72, 91, 89, 69, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 3 GUA NU3: (3 DG C2')-(3 DG C3')-(3 DG C4')-(3 DG O4') 4.5 34.5 &rst iat = 91, 89, 69, 71, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 3 GUA NU4: (3 DG C3')-(3 DG C4')-(3 DG O4')-(3 DG C1') -15.0 17.5 &rst iat = 89, 69, 71, 72, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 4 CYT NU0: (4 DC C4')-(4 DC O4')-(4 DC C1')-(4 DC C2') -36.5 -6.5 &rst iat = 102, 104, 105, 121, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 4 CYT NU1: (4 DC O4')-(4 DC C1')-(4 DC C2')-(4 DC C3') 18.8 48.8 &rst iat = 104, 105, 121, 119, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 4 CYT NU2: (4 DC C1')-(4 DC C2')-(4 DC C3')-(4 DC C4') -47.9 -17.9 &rst iat = 105, 121, 119, 102, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 4 CYT NU3: (4 DC C2')-(4 DC C3')-(4 DC C4')-(4 DC O4') 4.5 34.5 &rst iat = 121, 119, 102, 104, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 4 CYT NU4: (4 DC C3')-(4 DC C4')-(4 DC O4')-(4 DC C1') -15.0 17.5 &rst iat = 119, 102, 104, 105, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 5 ADE NU0: (5 DA C4')-(5 DA O4')-(5 DA C1')-(5 DA C2') -36.5 -6.5 &rst iat = 132, 134, 135, 153, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 5 ADE NU1: (5 DA O4')-(5 DA C1')-(5 DA C2')-(5 DA C3') 18.8 48.8 &rst iat = 134, 135, 153, 151, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 5 ADE NU2: (5 DA C1')-(5 DA C2')-(5 DA C3')-(5 DA C4') -47.9 -17.9 &rst iat = 135, 153, 151, 132, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 5 ADE NU3: (5 DA C2')-(5 DA C3')-(5 DA C4')-(5 DA O4') 4.5 34.5 &rst iat = 153, 151, 132, 134, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 5 ADE NU4: (5 DA C3')-(5 DA C4')-(5 DA O4')-(5 DA C1') -15.0 17.5 &rst iat = 151, 132, 134, 135, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 6 THY NU0: (6 DT C4')-(6 DT O4')-(6 DT C1')-(6 DT C2') -36.5 -6.5 &rst iat = 164, 166, 167, 185, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 6 THY NU1: (6 DT O4')-(6 DT C1')-(6 DT C2')-(6 DT C3') 18.8 48.8 &rst iat = 166, 167, 185, 183, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 6 THY NU2: (6 DT C1')-(6 DT C2')-(6 DT C3')-(6 DT C4') -47.9 -17.9 &rst iat = 167, 185, 183, 164, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 6 THY NU3: (6 DT C2')-(6 DT C3')-(6 DT C4')-(6 DT O4') 4.5 34.5 &rst iat = 185, 183, 164, 166, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 6 THY NU4: (6 DT C3')-(6 DT C4')-(6 DT O4')-(6 DT C1') -15.0 17.5 &rst iat = 183, 164, 166, 167, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 7 GUA NU0: (7 DG C4')-(7 DG O4')-(7 DG C1')-(7 DG C2') -36.5 -6.5 &rst iat = 196, 198, 199, 218, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 7 GUA NU1: (7 DG O4')-(7 DG C1')-(7 DG C2')-(7 DG C3') 18.8 48.8 &rst iat = 198, 199, 218, 216, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 7 GUA NU2: (7 DG C1')-(7 DG C2')-(7 DG C3')-(7 DG C4') -47.9 -17.9 &rst iat = 199, 218, 216, 196, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 7 GUA NU3: (7 DG C2')-(7 DG C3')-(7 DG C4')-(7 DG O4') 4.5 34.5 &rst iat = 218, 216, 196, 198, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 7 GUA NU4: (7 DG C3')-(7 DG C4')-(7 DG O4')-(7 DG C1') -15.0 17.5 &rst iat = 216, 196, 198, 199, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 8 CYT NU0: (8 DC C4')-(8 DC O4')-(8 DC C1')-(8 DC C2') -36.5 -6.5 &rst iat = 229, 231, 232, 248, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 8 CYT NU1: (8 DC O4')-(8 DC C1')-(8 DC C2')-(8 DC C3') 18.8 48.8 &rst iat = 231, 232, 248, 246, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 8 CYT NU2: (8 DC C1')-(8 DC C2')-(8 DC C3')-(8 DC C4') -47.9 -17.9 &rst iat = 232, 248, 246, 229, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 8 CYT NU3: (8 DC C2')-(8 DC C3')-(8 DC C4')-(8 DC O4') 4.5 34.5 &rst iat = 248, 246, 229, 231, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 8 CYT NU4: (8 DC C3')-(8 DC C4')-(8 DC O4')-(8 DC C1') -15.0 17.5 &rst iat = 246, 229, 231, 232, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 9 THY NU0: (9 DT C4')-(9 DT O4')-(9 DT C1')-(9 DT C2') -36.5 -6.5 &rst iat = 259, 261, 262, 280, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 9 THY NU1: (9 DT O4')-(9 DT C1')-(9 DT C2')-(9 DT C3') 18.8 48.8 &rst iat = 261, 262, 280, 278, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 9 THY NU2: (9 DT C1')-(9 DT C2')-(9 DT C3')-(9 DT C4') -47.9 -17.9 &rst iat = 262, 280, 278, 259, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 9 THY NU3: (9 DT C2')-(9 DT C3')-(9 DT C4')-(9 DT O4') 4.5 34.5 &rst iat = 280, 278, 259, 261, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 9 THY NU4: (9 DT C3')-(9 DT C4')-(9 DT O4')-(9 DT C1') -15.0 17.5 &rst iat = 278, 259, 261, 262, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 10 ADE NU0: (10 DA C4')-(10 DA O4')-(10 DA C1')-(10 DA C2') -36.5 -6.5 &rst iat = 291, 293, 294, 312, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 10 ADE NU1: (10 DA O4')-(10 DA C1')-(10 DA C2')-(10 DA C3') 18.8 48.8 &rst iat = 293, 294, 312, 310, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 10 ADE NU2: (10 DA C1')-(10 DA C2')-(10 DA C3')-(10 DA C4') -47.9 -17.9 &rst iat = 294, 312, 310, 291, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 10 ADE NU3: (10 DA C2')-(10 DA C3')-(10 DA C4')-(10 DA O4') 4.5 34.5 &rst iat = 312, 310, 291, 293, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 10 ADE NU4: (10 DA C3')-(10 DA C4')-(10 DA O4')-(10 DA C1') -15.0 17.5 &rst iat = 310, 291, 293, 294, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 11 CYT NU0: (11 DC C4')-(11 DC O4')-(11 DC C1')-(11 DC C2') -36.5 -6.5 &rst iat = 323, 325, 326, 342, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 11 CYT NU1: (11 DC O4')-(11 DC C1')-(11 DC C2')-(11 DC C3') 18.8 48.8 &rst iat = 325, 326, 342, 340, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 11 CYT NU2: (11 DC C1')-(11 DC C2')-(11 DC C3')-(11 DC C4') -47.9 -17.9 &rst iat = 326, 342, 340, 323, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 11 CYT NU3: (11 DC C2')-(11 DC C3')-(11 DC C4')-(11 DC O4') 4.5 34.5 &rst iat = 342, 340, 323, 325, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 11 CYT NU4: (11 DC C3')-(11 DC C4')-(11 DC O4')-(11 DC C1') -15.0 17.5 &rst iat = 340, 323, 325, 326, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 12 GUA NU0: (12 DG C4')-(12 DG O4')-(12 DG C1')-(12 DG C2') -36.5 -6.5 &rst iat = 353, 355, 356, 375, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 12 GUA NU1: (12 DG O4')-(12 DG C1')-(12 DG C2')-(12 DG C3') 18.8 48.8 &rst iat = 355, 356, 375, 373, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 12 GUA NU2: (12 DG C1')-(12 DG C2')-(12 DG C3')-(12 DG C4') -47.9 -17.9 &rst iat = 356, 375, 373, 353, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 12 GUA NU3: (12 DG C2')-(12 DG C3')-(12 DG C4')-(12 DG O4') 4.5 34.5 &rst iat = 375, 373, 353, 355, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 12 GUA NU4: (12 DG C3')-(12 DG C4')-(12 DG O4')-(12 DG C1') -15.0 17.5 &rst iat = 373, 353, 355, 356, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 13 CYT NU0: (13 DC C4')-(13 DC O4')-(13 DC C1')-(13 DC C2') -36.5 -6.5 &rst iat = 386, 388, 389, 405, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 13 CYT NU1: (13 DC O4')-(13 DC C1')-(13 DC C2')-(13 DC C3') 18.8 48.8 &rst iat = 388, 389, 405, 403, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 13 CYT NU2: (13 DC C1')-(13 DC C2')-(13 DC C3')-(13 DC C4') -47.9 -17.9 &rst iat = 389, 405, 403, 386, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 13 CYT NU3: (13 DC C2')-(13 DC C3')-(13 DC C4')-(13 DC O4') 4.5 34.5 &rst iat = 405, 403, 386, 388, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 13 CYT NU4: (13 DC C3')-(13 DC C4')-(13 DC O4')-(13 DC C1') -15.0 17.5 &rst iat = 403, 386, 388, 389, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 14 GUA NU0: (14 DG3 C4')-(14 DG3 O4')-(14 DG3 C1')-(14 DG3 C2') -36.5 -6.5 &rst iat = 416, 418, 419, 438, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 14 GUA NU1: (14 DG3 O4')-(14 DG3 C1')-(14 DG3 C2')-(14 DG3 C3') 18.8 48.8 &rst iat = 418, 419, 438, 436, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 14 GUA NU2: (14 DG3 C1')-(14 DG3 C2')-(14 DG3 C3')-(14 DG3 C4') -47.9 -17.9 &rst iat = 419, 438, 436, 416, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 14 GUA NU3: (14 DG3 C2')-(14 DG3 C3')-(14 DG3 C4')-(14 DG3 O4') 4.5 34.5 &rst iat = 438, 436, 416, 418, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 14 GUA NU4: (14 DG3 C3')-(14 DG3 C4')-(14 DG3 O4')-(14 DG3 C1') -15.0 17.5 &rst iat = 436, 416, 418, 419, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 15 CYT NU0: (15 DC5 C4')-(15 DC5 O4')-(15 DC5 C1')-(15 DC5 C2') -36.5 -6.5 &rst iat = 448, 450, 451, 467, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 15 CYT NU1: (15 DC5 O4')-(15 DC5 C1')-(15 DC5 C2')-(15 DC5 C3') 18.8 48.8 &rst iat = 450, 451, 467, 465, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 15 CYT NU2: (15 DC5 C1')-(15 DC5 C2')-(15 DC5 C3')-(15 DC5 C4') -47.9 -17.9 &rst iat = 451, 467, 465, 448, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 15 CYT NU3: (15 DC5 C2')-(15 DC5 C3')-(15 DC5 C4')-(15 DC5 O4') 4.5 34.5 &rst iat = 467, 465, 448, 450, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 15 CYT NU4: (15 DC5 C3')-(15 DC5 C4')-(15 DC5 O4')-(15 DC5 C1') -15.0 17.5 &rst iat = 465, 448, 450, 451, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 16 GUA NU0: (16 DG C4')-(16 DG O4')-(16 DG C1')-(16 DG C2') -36.5 -6.5 &rst iat = 478, 480, 481, 500, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 16 GUA NU1: (16 DG O4')-(16 DG C1')-(16 DG C2')-(16 DG C3') 18.8 48.8 &rst iat = 480, 481, 500, 498, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 16 GUA NU2: (16 DG C1')-(16 DG C2')-(16 DG C3')-(16 DG C4') -47.9 -17.9 &rst iat = 481, 500, 498, 478, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 16 GUA NU3: (16 DG C2')-(16 DG C3')-(16 DG C4')-(16 DG O4') 4.5 34.5 &rst iat = 500, 498, 478, 480, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 16 GUA NU4: (16 DG C3')-(16 DG C4')-(16 DG O4')-(16 DG C1') -15.0 17.5 &rst iat = 498, 478, 480, 481, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 17 CYT NU0: (17 DC C4')-(17 DC O4')-(17 DC C1')-(17 DC C2') -36.5 -6.5 &rst iat = 511, 513, 514, 530, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 17 CYT NU1: (17 DC O4')-(17 DC C1')-(17 DC C2')-(17 DC C3') 18.8 48.8 &rst iat = 513, 514, 530, 528, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 17 CYT NU2: (17 DC C1')-(17 DC C2')-(17 DC C3')-(17 DC C4') -47.9 -17.9 &rst iat = 514, 530, 528, 511, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 17 CYT NU3: (17 DC C2')-(17 DC C3')-(17 DC C4')-(17 DC O4') 4.5 34.5 &rst iat = 530, 528, 511, 513, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 17 CYT NU4: (17 DC C3')-(17 DC C4')-(17 DC O4')-(17 DC C1') -15.0 17.5 &rst iat = 528, 511, 513, 514, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 18 GUA NU0: (18 DG C4')-(18 DG O4')-(18 DG C1')-(18 DG C2') -36.5 -6.5 &rst iat = 541, 543, 544, 563, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 18 GUA NU1: (18 DG O4')-(18 DG C1')-(18 DG C2')-(18 DG C3') 18.8 48.8 &rst iat = 543, 544, 563, 561, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 18 GUA NU2: (18 DG C1')-(18 DG C2')-(18 DG C3')-(18 DG C4') -47.9 -17.9 &rst iat = 544, 563, 561, 541, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 18 GUA NU3: (18 DG C2')-(18 DG C3')-(18 DG C4')-(18 DG O4') 4.5 34.5 &rst iat = 563, 561, 541, 543, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 18 GUA NU4: (18 DG C3')-(18 DG C4')-(18 DG O4')-(18 DG C1') -15.0 17.5 &rst iat = 561, 541, 543, 544, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 19 THY NU0: (19 DT C4')-(19 DT O4')-(19 DT C1')-(19 DT C2') -36.5 -6.5 &rst iat = 574, 576, 577, 595, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 19 THY NU1: (19 DT O4')-(19 DT C1')-(19 DT C2')-(19 DT C3') 18.8 48.8 &rst iat = 576, 577, 595, 593, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 19 THY NU2: (19 DT C1')-(19 DT C2')-(19 DT C3')-(19 DT C4') -47.9 -17.9 &rst iat = 577, 595, 593, 574, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 19 THY NU3: (19 DT C2')-(19 DT C3')-(19 DT C4')-(19 DT O4') 4.5 34.5 &rst iat = 595, 593, 574, 576, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 19 THY NU4: (19 DT C3')-(19 DT C4')-(19 DT O4')-(19 DT C1') -15.0 17.5 &rst iat = 593, 574, 576, 577, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 20 ADE NU0: (20 DA C4')-(20 DA O4')-(20 DA C1')-(20 DA C2') -36.5 -6.5 &rst iat = 606, 608, 609, 627, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 20 ADE NU1: (20 DA O4')-(20 DA C1')-(20 DA C2')-(20 DA C3') 18.8 48.8 &rst iat = 608, 609, 627, 625, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 20 ADE NU2: (20 DA C1')-(20 DA C2')-(20 DA C3')-(20 DA C4') -47.9 -17.9 &rst iat = 609, 627, 625, 606, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 20 ADE NU3: (20 DA C2')-(20 DA C3')-(20 DA C4')-(20 DA O4') 4.5 34.5 &rst iat = 627, 625, 606, 608, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 20 ADE NU4: (20 DA C3')-(20 DA C4')-(20 DA O4')-(20 DA C1') -15.0 17.5 &rst iat = 625, 606, 608, 609, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 21 CYT NU0: (21 DC C4')-(21 DC O4')-(21 DC C1')-(21 DC C2') -36.5 -6.5 &rst iat = 638, 640, 641, 657, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 21 CYT NU1: (21 DC O4')-(21 DC C1')-(21 DC C2')-(21 DC C3') 18.8 48.8 &rst iat = 640, 641, 657, 655, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 21 CYT NU2: (21 DC C1')-(21 DC C2')-(21 DC C3')-(21 DC C4') -47.9 -17.9 &rst iat = 641, 657, 655, 638, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 21 CYT NU3: (21 DC C2')-(21 DC C3')-(21 DC C4')-(21 DC O4') 4.5 34.5 &rst iat = 657, 655, 638, 640, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 21 CYT NU4: (21 DC C3')-(21 DC C4')-(21 DC O4')-(21 DC C1') -15.0 17.5 &rst iat = 655, 638, 640, 641, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 22 GUA NU0: (22 DG C4')-(22 DG O4')-(22 DG C1')-(22 DG C2') -36.5 -6.5 &rst iat = 668, 670, 671, 690, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 22 GUA NU1: (22 DG O4')-(22 DG C1')-(22 DG C2')-(22 DG C3') 18.8 48.8 &rst iat = 670, 671, 690, 688, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 22 GUA NU2: (22 DG C1')-(22 DG C2')-(22 DG C3')-(22 DG C4') -47.9 -17.9 &rst iat = 671, 690, 688, 668, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 22 GUA NU3: (22 DG C2')-(22 DG C3')-(22 DG C4')-(22 DG O4') 4.5 34.5 &rst iat = 690, 688, 668, 670, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 22 GUA NU4: (22 DG C3')-(22 DG C4')-(22 DG O4')-(22 DG C1') -15.0 17.5 &rst iat = 688, 668, 670, 671, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 23 ADE NU0: (23 DA C4')-(23 DA O4')-(23 DA C1')-(23 DA C2') -36.5 -6.5 &rst iat = 701, 703, 704, 722, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 23 ADE NU1: (23 DA O4')-(23 DA C1')-(23 DA C2')-(23 DA C3') 18.8 48.8 &rst iat = 703, 704, 722, 720, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 23 ADE NU2: (23 DA C1')-(23 DA C2')-(23 DA C3')-(23 DA C4') -47.9 -17.9 &rst iat = 704, 722, 720, 701, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 23 ADE NU3: (23 DA C2')-(23 DA C3')-(23 DA C4')-(23 DA O4') 4.5 34.5 &rst iat = 722, 720, 701, 703, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 23 ADE NU4: (23 DA C3')-(23 DA C4')-(23 DA O4')-(23 DA C1') -15.0 17.5 &rst iat = 720, 701, 703, 704, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 24 THY NU0: (24 DT C4')-(24 DT O4')-(24 DT C1')-(24 DT C2') -36.5 -6.5 &rst iat = 733, 735, 736, 754, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 24 THY NU1: (24 DT O4')-(24 DT C1')-(24 DT C2')-(24 DT C3') 18.8 48.8 &rst iat = 735, 736, 754, 752, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 24 THY NU2: (24 DT C1')-(24 DT C2')-(24 DT C3')-(24 DT C4') -47.9 -17.9 &rst iat = 736, 754, 752, 733, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 24 THY NU3: (24 DT C2')-(24 DT C3')-(24 DT C4')-(24 DT O4') 4.5 34.5 &rst iat = 754, 752, 733, 735, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 24 THY NU4: (24 DT C3')-(24 DT C4')-(24 DT O4')-(24 DT C1') -15.0 17.5 &rst iat = 752, 733, 735, 736, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 25 GUA NU0: (25 DG C4')-(25 DG O4')-(25 DG C1')-(25 DG C2') -36.5 -6.5 &rst iat = 765, 767, 768, 787, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 25 GUA NU1: (25 DG O4')-(25 DG C1')-(25 DG C2')-(25 DG C3') 18.8 48.8 &rst iat = 767, 768, 787, 785, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 25 GUA NU2: (25 DG C1')-(25 DG C2')-(25 DG C3')-(25 DG C4') -47.9 -17.9 &rst iat = 768, 787, 785, 765, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 25 GUA NU3: (25 DG C2')-(25 DG C3')-(25 DG C4')-(25 DG O4') 4.5 34.5 &rst iat = 787, 785, 765, 767, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 25 GUA NU4: (25 DG C3')-(25 DG C4')-(25 DG O4')-(25 DG C1') -15.0 17.5 &rst iat = 785, 765, 767, 768, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 26 CYT NU0: (26 DC C4')-(26 DC O4')-(26 DC C1')-(26 DC C2') -36.5 -6.5 &rst iat = 798, 800, 801, 817, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 26 CYT NU1: (26 DC O4')-(26 DC C1')-(26 DC C2')-(26 DC C3') 18.8 48.8 &rst iat = 800, 801, 817, 815, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 26 CYT NU2: (26 DC C1')-(26 DC C2')-(26 DC C3')-(26 DC C4') -47.9 -17.9 &rst iat = 801, 817, 815, 798, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 26 CYT NU3: (26 DC C2')-(26 DC C3')-(26 DC C4')-(26 DC O4') 4.5 34.5 &rst iat = 817, 815, 798, 800, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 26 CYT NU4: (26 DC C3')-(26 DC C4')-(26 DC O4')-(26 DC C1') -15.0 17.5 &rst iat = 815, 798, 800, 801, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 27 GUA NU0: (27 DG C4')-(27 DG O4')-(27 DG C1')-(27 DG C2') -36.5 -6.5 &rst iat = 828, 830, 831, 850, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 27 GUA NU1: (27 DG O4')-(27 DG C1')-(27 DG C2')-(27 DG C3') 18.8 48.8 &rst iat = 830, 831, 850, 848, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 27 GUA NU2: (27 DG C1')-(27 DG C2')-(27 DG C3')-(27 DG C4') -47.9 -17.9 &rst iat = 831, 850, 848, 828, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 27 GUA NU3: (27 DG C2')-(27 DG C3')-(27 DG C4')-(27 DG O4') 4.5 34.5 &rst iat = 850, 848, 828, 830, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 27 GUA NU4: (27 DG C3')-(27 DG C4')-(27 DG O4')-(27 DG C1') -15.0 17.5 &rst iat = 848, 828, 830, 831, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end # 28 CYT NU0: (28 DC3 C4')-(28 DC3 O4')-(28 DC3 C1')-(28 DC3 C2') -36.5 -6.5 &rst iat = 861, 863, 864, 880, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 28 CYT NU1: (28 DC3 O4')-(28 DC3 C1')-(28 DC3 C2')-(28 DC3 C3') 18.8 48.8 &rst iat = 863, 864, 880, 878, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, &end # 28 CYT NU2: (28 DC3 C1')-(28 DC3 C2')-(28 DC3 C3')-(28 DC3 C4') -47.9 -17.9 &rst iat = 864, 880, 878, 861, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, &end # 28 CYT NU3: (28 DC3 C2')-(28 DC3 C3')-(28 DC3 C4')-(28 DC3 O4') 4.5 34.5 &rst iat = 880, 878, 861, 863, r1 = 3.5, r2 = 4.5, r3 = 34.5, r4 = 35.5, &end # 28 CYT NU4: (28 DC3 C3')-(28 DC3 C4')-(28 DC3 O4')-(28 DC3 C1') -15.0 17.5 &rst iat = 878, 861, 863, 864, r1 = -16.0, r2 = -15.0, r3 = 17.5, r4 = 18.5, &end
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