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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492505 |
2kh3   |
16222 | cing | 1-original | 3 | AMBER | dihedral angle |
# # 1 CYT CHI: (1 DC5 O4')-(1 DC5 C1')-(1 DC5 N1)-(1 DC5 C2) 180.0 340.0 &rst iat = 8, 9, 11, 21, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, rk2 = 5.0, rk3 = 5.0, &end # 2 THY CHI: (2 T O4')-(2 T C1')-(2 T N1)-(2 T C2) 180.0 340.0 &rst iat = 38, 39, 41, 53, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 3 ADE CHI: (3 DA O4')-(3 DA C1')-(3 DA N9)-(3 DA C4) 180.0 340.0 &rst iat = 70, 71, 73, 86, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 4 THY CHI: (4 T O4')-(4 T C1')-(4 T N1)-(4 T C2) 180.0 340.0 &rst iat = 102, 103, 105, 117, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 6 ADE CHI: (6 DA O4')-(6 DA C1')-(6 DA N9)-(6 DA C4) 180.0 340.0 &rst iat = 169, 170, 172, 185, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 7 THY CHI: (7 T O4')-(7 T C1')-(7 T N1)-(7 T C2) 180.0 340.0 &rst iat = 201, 202, 204, 216, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 8 THY CHI: (8 T O4')-(8 T C1')-(8 T N1)-(8 T C2) 180.0 340.0 &rst iat = 233, 234, 236, 248, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 9 CYT CHI: (9 DC O4')-(9 DC C1')-(9 DC N1)-(9 DC C2) 180.0 340.0 &rst iat = 265, 266, 268, 278, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 10 ADE CHI: (10 DA3 O4')-(10 DA3 C1')-(10 DA3 N9)-(10 DA3 C4) 180.0 340.0 &rst iat = 295, 296, 298, 311, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 11 THY CHI: (11 T O4')-(11 T C1')-(11 T N1)-(11 T C2) 180.0 340.0 &rst iat = 326, 327, 329, 341, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 12 GUA CHI: (12 DG O4')-(12 DG C1')-(12 DG N9)-(12 DG C4) 180.0 340.0 &rst iat = 358, 359, 361, 375, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 13 ADE CHI: (13 DA O4')-(13 DA C1')-(13 DA N9)-(13 DA C4) 180.0 340.0 &rst iat = 391, 392, 394, 407, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 14 ADE CHI: (14 DA O4')-(14 DA C1')-(14 DA N9)-(14 DA C4) 180.0 340.0 &rst iat = 423, 424, 426, 439, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 15 THY CHI: (15 T O4')-(15 T C1')-(15 T N1)-(15 T C2) 180.0 340.0 &rst iat = 455, 456, 458, 470, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 16 CYT CHI: (16 DC O4')-(16 DC C1')-(16 DC N1)-(16 DC C2) 180.0 340.0 &rst iat = 487, 488, 490, 500, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 17 ADE CHI: (17 DA O4')-(17 DA C1')-(17 DA N9)-(17 DA C4) 180.0 340.0 &rst iat = 517, 518, 520, 533, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 18 THY CHI: (18 T O4')-(18 T C1')-(18 T N1)-(18 T C2) 180.0 340.0 &rst iat = 549, 550, 552, 564, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 19 ADE CHI: (19 DA O4')-(19 DA C1')-(19 DA N9)-(19 DA C4) 180.0 340.0 &rst iat = 581, 582, 584, 597, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 20 GUA CHI: (20 DG3 O4')-(20 DG3 C1')-(20 DG3 N9)-(20 DG3 C4) 180.0 340.0 &rst iat = 613, 614, 616, 630, r1 = 179.0, r2 = 180.0, r3 = 340.0, r4 = 341.0, &end # 2 THY ALPHA: (1 DC5 O3')-(2 T P)-(2 T O5')-(2 T C5') -90.0 -30.0 &rst iat = 28, 29, 32, 33, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 3 ADE ALPHA: (2 T O3')-(3 DA P)-(3 DA O5')-(3 DA C5') -90.0 -30.0 &rst iat = 60, 61, 64, 65, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 7 THY ALPHA: (6 DA O3')-(7 T P)-(7 T O5')-(7 T C5') -90.0 -30.0 &rst iat = 191, 192, 195, 196, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 8 THY ALPHA: (7 T O3')-(8 T P)-(8 T O5')-(8 T C5') -90.0 -30.0 &rst iat = 223, 224, 227, 228, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 9 CYT ALPHA: (8 T O3')-(9 DC P)-(9 DC O5')-(9 DC C5') -90.0 -30.0 &rst iat = 255, 256, 259, 260, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 12 GUA ALPHA: (11 T O3')-(12 DG P)-(12 DG O5')-(12 DG C5') -90.0 -30.0 &rst iat = 348, 349, 352, 353, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 13 ADE ALPHA: (12 DG O3')-(13 DA P)-(13 DA O5')-(13 DA C5') -90.0 -30.0 &rst iat = 381, 382, 385, 386, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 14 ADE ALPHA: (13 DA O3')-(14 DA P)-(14 DA O5')-(14 DA C5') -90.0 -30.0 &rst iat = 413, 414, 417, 418, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 19 ADE ALPHA: (18 T O3')-(19 DA P)-(19 DA O5')-(19 DA C5') -90.0 -30.0 &rst iat = 571, 572, 575, 576, r1 = -91.0, r2 = -90.0, r3 = -30.0, r4 = -29.0, &end # 2 THY BETA: (2 T P)-(2 T O5')-(2 T C5')-(2 T C4') 90.0 240.0 &rst iat = 29, 32, 33, 36, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 3 ADE BETA: (3 DA P)-(3 DA O5')-(3 DA C5')-(3 DA C4') 90.0 240.0 &rst iat = 61, 64, 65, 68, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 4 THY BETA: (4 T P)-(4 T O5')-(4 T C5')-(4 T C4') 90.0 240.0 &rst iat = 93, 96, 97, 100, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 7 THY BETA: (7 T P)-(7 T O5')-(7 T C5')-(7 T C4') 90.0 240.0 &rst iat = 192, 195, 196, 199, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 8 THY BETA: (8 T P)-(8 T O5')-(8 T C5')-(8 T C4') 90.0 240.0 &rst iat = 224, 227, 228, 231, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 9 CYT BETA: (9 DC P)-(9 DC O5')-(9 DC C5')-(9 DC C4') 90.0 240.0 &rst iat = 256, 259, 260, 263, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 10 ADE BETA: (10 DA3 P)-(10 DA3 O5')-(10 DA3 C5')-(10 DA3 C4') 90.0 240.0 &rst iat = 286, 289, 290, 293, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 12 GUA BETA: (12 DG P)-(12 DG O5')-(12 DG C5')-(12 DG C4') 90.0 240.0 &rst iat = 349, 352, 353, 356, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 13 ADE BETA: (13 DA P)-(13 DA O5')-(13 DA C5')-(13 DA C4') 90.0 240.0 &rst iat = 382, 385, 386, 389, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 14 ADE BETA: (14 DA P)-(14 DA O5')-(14 DA C5')-(14 DA C4') 90.0 240.0 &rst iat = 414, 417, 418, 421, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 15 THY BETA: (15 T P)-(15 T O5')-(15 T C5')-(15 T C4') 90.0 240.0 &rst iat = 446, 449, 450, 453, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 18 THY BETA: (18 T P)-(18 T O5')-(18 T C5')-(18 T C4') 90.0 240.0 &rst iat = 540, 543, 544, 547, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 19 ADE BETA: (19 DA P)-(19 DA O5')-(19 DA C5')-(19 DA C4') 90.0 240.0 &rst iat = 572, 575, 576, 579, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 20 GUA BETA: (20 DG3 P)-(20 DG3 O5')-(20 DG3 C5')-(20 DG3 C4') 90.0 240.0 &rst iat = 604, 607, 608, 611, r1 = 89.0, r2 = 90.0, r3 = 240.0, r4 = 241.0, &end # 2 THY GAMMA: (2 T O5')-(2 T C5')-(2 T C4')-(2 T C3') 0.0 120.0 &rst iat = 32, 33, 36, 55, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 3 ADE GAMMA: (3 DA O5')-(3 DA C5')-(3 DA C4')-(3 DA C3') 0.0 120.0 &rst iat = 64, 65, 68, 87, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 7 THY GAMMA: (7 T O5')-(7 T C5')-(7 T C4')-(7 T C3') 0.0 120.0 &rst iat = 195, 196, 199, 218, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 8 THY GAMMA: (8 T O5')-(8 T C5')-(8 T C4')-(8 T C3') 0.0 120.0 &rst iat = 227, 228, 231, 250, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 9 CYT GAMMA: (9 DC O5')-(9 DC C5')-(9 DC C4')-(9 DC C3') 0.0 120.0 &rst iat = 259, 260, 263, 280, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 10 ADE GAMMA: (10 DA3 O5')-(10 DA3 C5')-(10 DA3 C4')-(10 DA3 C3') -20.0 140.0 &rst iat = 289, 290, 293, 312, r1 = -21.0, r2 = -20.0, r3 = 140.0, r4 = 141.0, &end # 12 GUA GAMMA: (12 DG O5')-(12 DG C5')-(12 DG C4')-(12 DG C3') 0.0 120.0 &rst iat = 352, 353, 356, 376, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 13 ADE GAMMA: (13 DA O5')-(13 DA C5')-(13 DA C4')-(13 DA C3') 0.0 120.0 &rst iat = 385, 386, 389, 408, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 14 ADE GAMMA: (14 DA O5')-(14 DA C5')-(14 DA C4')-(14 DA C3') 0.0 120.0 &rst iat = 417, 418, 421, 440, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 18 THY GAMMA: (18 T O5')-(18 T C5')-(18 T C4')-(18 T C3') 0.0 120.0 &rst iat = 543, 544, 547, 566, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 19 ADE GAMMA: (19 DA O5')-(19 DA C5')-(19 DA C4')-(19 DA C3') 0.0 120.0 &rst iat = 575, 576, 579, 598, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, &end # 20 GUA GAMMA: (20 DG3 O5')-(20 DG3 C5')-(20 DG3 C4')-(20 DG3 C3') -20.0 140.0 &rst iat = 607, 608, 611, 631, r1 = -21.0, r2 = -20.0, r3 = 140.0, r4 = 141.0, &end # 1 CYT EPSILN: (1 DC5 C4')-(1 DC5 C3')-(1 DC5 O3')-(2 T P) -240.0 10.0 &rst iat = 6, 23, 28, 29, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 2 THY EPSILN: (2 T C4')-(2 T C3')-(2 T O3')-(3 DA P) -240.0 10.0 &rst iat = 36, 55, 60, 61, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 3 ADE EPSILN: (3 DA C4')-(3 DA C3')-(3 DA O3')-(4 T P) -240.0 10.0 &rst iat = 68, 87, 92, 93, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 6 ADE EPSILN: (6 DA C4')-(6 DA C3')-(6 DA O3')-(7 T P) -240.0 10.0 &rst iat = 167, 186, 191, 192, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 7 THY EPSILN: (7 T C4')-(7 T C3')-(7 T O3')-(8 T P) -240.0 10.0 &rst iat = 199, 218, 223, 224, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 8 THY EPSILN: (8 T C4')-(8 T C3')-(8 T O3')-(9 DC P) -240.0 10.0 &rst iat = 231, 250, 255, 256, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 9 CYT EPSILN: (9 DC C4')-(9 DC C3')-(9 DC O3')-(10 DA3 P) -240.0 10.0 &rst iat = 263, 280, 285, 286, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 11 THY EPSILN: (11 T C4')-(11 T C3')-(11 T O3')-(12 DG P) -240.0 10.0 &rst iat = 324, 343, 348, 349, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 12 GUA EPSILN: (12 DG C4')-(12 DG C3')-(12 DG O3')-(13 DA P) -240.0 10.0 &rst iat = 356, 376, 381, 382, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 13 ADE EPSILN: (13 DA C4')-(13 DA C3')-(13 DA O3')-(14 DA P) -240.0 10.0 &rst iat = 389, 408, 413, 414, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 14 ADE EPSILN: (14 DA C4')-(14 DA C3')-(14 DA O3')-(15 T P) -240.0 10.0 &rst iat = 421, 440, 445, 446, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 15 THY EPSILN: (15 T C4')-(15 T C3')-(15 T O3')-(16 DC P) -240.0 10.0 &rst iat = 453, 472, 477, 478, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 17 ADE EPSILN: (17 DA C4')-(17 DA C3')-(17 DA O3')-(18 T P) -210.0 10.0 &rst iat = 515, 534, 539, 540, r1 = -211.0, r2 = -210.0, r3 = 10.0, r4 = 11.0, &end # 18 THY EPSILN: (18 T C4')-(18 T C3')-(18 T O3')-(19 DA P) -240.0 10.0 &rst iat = 547, 566, 571, 572, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 19 ADE EPSILN: (19 DA C4')-(19 DA C3')-(19 DA O3')-(20 DG3 P) -240.0 10.0 &rst iat = 579, 598, 603, 604, r1 = -241.0, r2 = -240.0, r3 = 10.0, r4 = 11.0, &end # 2 THY ZETA: (2 T C3')-(2 T O3')-(3 DA P)-(3 DA O5') 150.0 330.0 &rst iat = 55, 60, 61, 64, r1 = 149.0, r2 = 150.0, r3 = 330.0, r4 = 331.0, &end # 3 ADE ZETA: (3 DA C3')-(3 DA O3')-(4 T P)-(4 T O5') 150.0 330.0 &rst iat = 87, 92, 93, 96, r1 = 149.0, r2 = 150.0, r3 = 330.0, r4 = 331.0, &end # 7 THY ZETA: (7 T C3')-(7 T O3')-(8 T P)-(8 T O5') 150.0 330.0 &rst iat = 218, 223, 224, 227, r1 = 149.0, r2 = 150.0, r3 = 330.0, r4 = 331.0, &end # 8 THY ZETA: (8 T C3')-(8 T O3')-(9 DC P)-(9 DC O5') 150.0 330.0 &rst iat = 250, 255, 256, 259, r1 = 149.0, r2 = 150.0, r3 = 330.0, r4 = 331.0, &end # 9 CYT ZETA: (9 DC C3')-(9 DC O3')-(10 DA3 P)-(10 DA3 O5') 150.0 330.0 &rst iat = 280, 285, 286, 289, r1 = 149.0, r2 = 150.0, r3 = 330.0, r4 = 331.0, &end # 11 THY ZETA: (11 T C3')-(11 T O3')-(12 DG P)-(12 DG O5') 150.0 330.0 &rst iat = 343, 348, 349, 352, r1 = 149.0, r2 = 150.0, r3 = 330.0, r4 = 331.0, &end # 14 ADE ZETA: (14 DA C3')-(14 DA O3')-(15 T P)-(15 T O5') 150.0 330.0 &rst iat = 440, 445, 446, 449, r1 = 149.0, r2 = 150.0, r3 = 330.0, r4 = 331.0, &end # 17 ADE ZETA: (17 DA C3')-(17 DA O3')-(18 T P)-(18 T O5') 150.0 330.0 &rst iat = 534, 539, 540, 543, r1 = 149.0, r2 = 150.0, r3 = 330.0, r4 = 331.0, &end # 18 THY ZETA: (18 T C3')-(18 T O3')-(19 DA P)-(19 DA O5') 150.0 330.0 &rst iat = 566, 571, 572, 575, r1 = 149.0, r2 = 150.0, r3 = 330.0, r4 = 331.0, &end # 19 ADE ZETA: (19 DA C3')-(19 DA O3')-(20 DG3 P)-(20 DG3 O5') 150.0 330.0 &rst iat = 598, 603, 604, 607, r1 = 149.0, r2 = 150.0, r3 = 330.0, r4 = 331.0, &end # # 1 CYT NU0: (1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2') -38.5 4.7 &rst iat = 6, 8, 9, 25, r1 = -39.5, r2 = -38.5, r3 = 4.7, r4 = 5.7, rk2 = 5.0, rk3 = 5.0, &end # 1 CYT NU1: (1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3') 13.6 43.6 &rst iat = 8, 9, 25, 23, r1 = 12.6, r2 = 13.6, r3 = 43.6, r4 = 44.6, &end # 1 CYT NU2: (1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4') -40.8 -10.8 &rst iat = 9, 25, 23, 6, r1 = -41.8, r2 = -40.8, r3 = -10.8, r4 = -9.8, &end # 1 CYT NU3: (1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4') -10.6 37.8 &rst iat = 25, 23, 6, 8, r1 = -11.6, r2 = -10.6, r3 = 37.8, r4 = 38.8, &end # 1 CYT NU4: (1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1') -26.2 30.3 &rst iat = 23, 6, 8, 9, r1 = -27.2, r2 = -26.2, r3 = 30.3, r4 = 31.3, &end # 2 THY NU0: (2 T C4')-(2 T O4')-(2 T C1')-(2 T C2') -38.5 4.7 &rst iat = 36, 38, 39, 57, r1 = -39.5, r2 = -38.5, r3 = 4.7, r4 = 5.7, &end # 2 THY NU1: (2 T O4')-(2 T C1')-(2 T C2')-(2 T C3') 13.6 43.6 &rst iat = 38, 39, 57, 55, r1 = 12.6, r2 = 13.6, r3 = 43.6, r4 = 44.6, &end # 2 THY NU2: (2 T C1')-(2 T C2')-(2 T C3')-(2 T C4') -40.8 -10.8 &rst iat = 39, 57, 55, 36, r1 = -41.8, r2 = -40.8, r3 = -10.8, r4 = -9.8, &end # 2 THY NU3: (2 T C2')-(2 T C3')-(2 T C4')-(2 T O4') -10.6 37.8 &rst iat = 57, 55, 36, 38, r1 = -11.6, r2 = -10.6, r3 = 37.8, r4 = 38.8, &end # 2 THY NU4: (2 T C3')-(2 T C4')-(2 T O4')-(2 T C1') -26.2 30.3 &rst iat = 55, 36, 38, 39, r1 = -27.2, r2 = -26.2, r3 = 30.3, r4 = 31.3, &end # 3 ADE NU0: (3 DA C4')-(3 DA O4')-(3 DA C1')-(3 DA C2') -38.5 11.9 &rst iat = 68, 70, 71, 89, r1 = -39.5, r2 = -38.5, r3 = 11.9, r4 = 12.9, &end # 3 ADE NU1: (3 DA O4')-(3 DA C1')-(3 DA C2')-(3 DA C3') -31.1 38.5 &rst iat = 70, 71, 89, 87, r1 = -32.1, r2 = -31.1, r3 = 38.5, r4 = 39.5, &end # 3 ADE NU2: (3 DA C1')-(3 DA C2')-(3 DA C3')-(3 DA C4') -38.5 38.5 &rst iat = 71, 89, 87, 68, r1 = -39.5, r2 = -38.5, r3 = 38.5, r4 = 39.5, &end # 3 ADE NU3: (3 DA C2')-(3 DA C3')-(3 DA C4')-(3 DA O4') -38.5 37.8 &rst iat = 89, 87, 68, 70, r1 = -39.5, r2 = -38.5, r3 = 37.8, r4 = 38.8, &end # 3 ADE NU4: (3 DA C3')-(3 DA C4')-(3 DA O4')-(3 DA C1') -26.2 38.5 &rst iat = 87, 68, 70, 71, r1 = -27.2, r2 = -26.2, r3 = 38.5, r4 = 39.5, &end # 4 THY NU0: (4 T C4')-(4 T O4')-(4 T C1')-(4 T C2') -38.5 4.7 &rst iat = 100, 102, 103, 121, r1 = -39.5, r2 = -38.5, r3 = 4.7, r4 = 5.7, &end # 4 THY NU1: (4 T O4')-(4 T C1')-(4 T C2')-(4 T C3') 13.6 43.6 &rst iat = 102, 103, 121, 119, r1 = 12.6, r2 = 13.6, r3 = 43.6, r4 = 44.6, &end # 4 THY NU2: (4 T C1')-(4 T C2')-(4 T C3')-(4 T C4') -40.8 -10.8 &rst iat = 103, 121, 119, 100, r1 = -41.8, r2 = -40.8, r3 = -10.8, r4 = -9.8, &end # 4 THY NU3: (4 T C2')-(4 T C3')-(4 T C4')-(4 T O4') -10.6 37.8 &rst iat = 121, 119, 100, 102, r1 = -11.6, r2 = -10.6, r3 = 37.8, r4 = 38.8, &end # 4 THY NU4: (4 T C3')-(4 T C4')-(4 T O4')-(4 T C1') -26.2 30.3 &rst iat = 119, 100, 102, 103, r1 = -27.2, r2 = -26.2, r3 = 30.3, r4 = 31.3, &end # 5 GUA NU0: (5 FAG C4')-(5 FAG O4')-(5 FAG C1')-(5 FAG C2') -38.5 11.9 &rst iat = 132, 134, 135, 151, r1 = -39.5, r2 = -38.5, r3 = 11.9, r4 = 12.9, &end # 5 GUA NU1: (5 FAG O4')-(5 FAG C1')-(5 FAG C2')-(5 FAG C3') -31.1 38.5 &rst iat = 134, 135, 151, 149, r1 = -32.1, r2 = -31.1, r3 = 38.5, r4 = 39.5, &end # 5 GUA NU2: (5 FAG C1')-(5 FAG C2')-(5 FAG C3')-(5 FAG C4') -38.5 38.5 &rst iat = 135, 151, 149, 132, r1 = -39.5, r2 = -38.5, r3 = 38.5, r4 = 39.5, &end # 5 GUA NU3: (5 FAG C2')-(5 FAG C3')-(5 FAG C4')-(5 FAG O4') -38.5 37.8 &rst iat = 151, 149, 132, 134, r1 = -39.5, r2 = -38.5, r3 = 37.8, r4 = 38.8, &end # 5 GUA NU4: (5 FAG C3')-(5 FAG C4')-(5 FAG O4')-(5 FAG C1') -26.2 38.5 &rst iat = 149, 132, 134, 135, r1 = -27.2, r2 = -26.2, r3 = 38.5, r4 = 39.5, &end # 6 ADE NU0: (6 DA C4')-(6 DA O4')-(6 DA C1')-(6 DA C2') -38.5 11.9 &rst iat = 167, 169, 170, 188, r1 = -39.5, r2 = -38.5, r3 = 11.9, r4 = 12.9, &end # 6 ADE NU1: (6 DA O4')-(6 DA C1')-(6 DA C2')-(6 DA C3') -31.1 38.5 &rst iat = 169, 170, 188, 186, r1 = -32.1, r2 = -31.1, r3 = 38.5, r4 = 39.5, &end # 6 ADE NU2: (6 DA C1')-(6 DA C2')-(6 DA C3')-(6 DA C4') -38.5 38.5 &rst iat = 170, 188, 186, 167, r1 = -39.5, r2 = -38.5, r3 = 38.5, r4 = 39.5, &end # 6 ADE NU3: (6 DA C2')-(6 DA C3')-(6 DA C4')-(6 DA O4') -38.5 37.8 &rst iat = 188, 186, 167, 169, r1 = -39.5, r2 = -38.5, r3 = 37.8, r4 = 38.8, &end # 6 ADE NU4: (6 DA C3')-(6 DA C4')-(6 DA O4')-(6 DA C1') -26.2 38.5 &rst iat = 186, 167, 169, 170, r1 = -27.2, r2 = -26.2, r3 = 38.5, r4 = 39.5, &end # 7 THY NU0: (7 T C4')-(7 T O4')-(7 T C1')-(7 T C2') -38.5 4.7 &rst iat = 199, 201, 202, 220, r1 = -39.5, r2 = -38.5, r3 = 4.7, r4 = 5.7, &end # 7 THY NU1: (7 T O4')-(7 T C1')-(7 T C2')-(7 T C3') 13.6 43.6 &rst iat = 201, 202, 220, 218, r1 = 12.6, r2 = 13.6, r3 = 43.6, r4 = 44.6, &end # 7 THY NU2: (7 T C1')-(7 T C2')-(7 T C3')-(7 T C4') -40.8 -10.8 &rst iat = 202, 220, 218, 199, r1 = -41.8, r2 = -40.8, r3 = -10.8, r4 = -9.8, &end # 7 THY NU3: (7 T C2')-(7 T C3')-(7 T C4')-(7 T O4') -10.6 37.8 &rst iat = 220, 218, 199, 201, r1 = -11.6, r2 = -10.6, r3 = 37.8, r4 = 38.8, &end # 7 THY NU4: (7 T C3')-(7 T C4')-(7 T O4')-(7 T C1') -26.2 30.3 &rst iat = 218, 199, 201, 202, r1 = -27.2, r2 = -26.2, r3 = 30.3, r4 = 31.3, &end # 8 THY NU0: (8 T C4')-(8 T O4')-(8 T C1')-(8 T C2') -38.5 4.7 &rst iat = 231, 233, 234, 252, r1 = -39.5, r2 = -38.5, r3 = 4.7, r4 = 5.7, &end # 8 THY NU1: (8 T O4')-(8 T C1')-(8 T C2')-(8 T C3') 13.6 43.6 &rst iat = 233, 234, 252, 250, r1 = 12.6, r2 = 13.6, r3 = 43.6, r4 = 44.6, &end # 8 THY NU2: (8 T C1')-(8 T C2')-(8 T C3')-(8 T C4') -40.8 -10.8 &rst iat = 234, 252, 250, 231, r1 = -41.8, r2 = -40.8, r3 = -10.8, r4 = -9.8, &end # 8 THY NU3: (8 T C2')-(8 T C3')-(8 T C4')-(8 T O4') -10.6 37.8 &rst iat = 252, 250, 231, 233, r1 = -11.6, r2 = -10.6, r3 = 37.8, r4 = 38.8, &end # 8 THY NU4: (8 T C3')-(8 T C4')-(8 T O4')-(8 T C1') -26.2 30.3 &rst iat = 250, 231, 233, 234, r1 = -27.2, r2 = -26.2, r3 = 30.3, r4 = 31.3, &end # 9 CYT NU0: (9 DC C4')-(9 DC O4')-(9 DC C1')-(9 DC C2') -38.5 11.9 &rst iat = 263, 265, 266, 282, r1 = -39.5, r2 = -38.5, r3 = 11.9, r4 = 12.9, &end # 9 CYT NU1: (9 DC O4')-(9 DC C1')-(9 DC C2')-(9 DC C3') -31.1 38.5 &rst iat = 265, 266, 282, 280, r1 = -32.1, r2 = -31.1, r3 = 38.5, r4 = 39.5, &end # 9 CYT NU2: (9 DC C1')-(9 DC C2')-(9 DC C3')-(9 DC C4') -38.5 38.5 &rst iat = 266, 282, 280, 263, r1 = -39.5, r2 = -38.5, r3 = 38.5, r4 = 39.5, &end # 9 CYT NU3: (9 DC C2')-(9 DC C3')-(9 DC C4')-(9 DC O4') -38.5 37.8 &rst iat = 282, 280, 263, 265, r1 = -39.5, r2 = -38.5, r3 = 37.8, r4 = 38.8, &end # 9 CYT NU4: (9 DC C3')-(9 DC C4')-(9 DC O4')-(9 DC C1') -26.2 38.5 &rst iat = 280, 263, 265, 266, r1 = -27.2, r2 = -26.2, r3 = 38.5, r4 = 39.5, &end # 10 ADE NU0: (10 DA3 C4')-(10 DA3 O4')-(10 DA3 C1')-(10 DA3 C2') -38.5 4.7 &rst iat = 293, 295, 296, 314, r1 = -39.5, r2 = -38.5, r3 = 4.7, r4 = 5.7, &end # 10 ADE NU1: (10 DA3 O4')-(10 DA3 C1')-(10 DA3 C2')-(10 DA3 C3') 13.6 43.6 &rst iat = 295, 296, 314, 312, r1 = 12.6, r2 = 13.6, r3 = 43.6, r4 = 44.6, &end # 10 ADE NU2: (10 DA3 C1')-(10 DA3 C2')-(10 DA3 C3')-(10 DA3 C4') -40.8 -10.8 &rst iat = 296, 314, 312, 293, r1 = -41.8, r2 = -40.8, r3 = -10.8, r4 = -9.8, &end # 10 ADE NU3: (10 DA3 C2')-(10 DA3 C3')-(10 DA3 C4')-(10 DA3 O4') -10.6 37.8 &rst iat = 314, 312, 293, 295, r1 = -11.6, r2 = -10.6, r3 = 37.8, r4 = 38.8, &end # 10 ADE NU4: (10 DA3 C3')-(10 DA3 C4')-(10 DA3 O4')-(10 DA3 C1') -26.2 30.3 &rst iat = 312, 293, 295, 296, r1 = -27.2, r2 = -26.2, r3 = 30.3, r4 = 31.3, &end # 11 THY NU0: (11 T C4')-(11 T O4')-(11 T C1')-(11 T C2') -38.5 4.7 &rst iat = 324, 326, 327, 345, r1 = -39.5, r2 = -38.5, r3 = 4.7, r4 = 5.7, &end # 11 THY NU1: (11 T O4')-(11 T C1')-(11 T C2')-(11 T C3') 13.6 43.6 &rst iat = 326, 327, 345, 343, r1 = 12.6, r2 = 13.6, r3 = 43.6, r4 = 44.6, &end # 11 THY NU2: (11 T C1')-(11 T C2')-(11 T C3')-(11 T C4') -40.8 -10.8 &rst iat = 327, 345, 343, 324, r1 = -41.8, r2 = -40.8, r3 = -10.8, r4 = -9.8, &end # 11 THY NU3: (11 T C2')-(11 T C3')-(11 T C4')-(11 T O4') -10.6 37.8 &rst iat = 345, 343, 324, 326, r1 = -11.6, r2 = -10.6, r3 = 37.8, r4 = 38.8, &end # 11 THY NU4: (11 T C3')-(11 T C4')-(11 T O4')-(11 T C1') -26.2 30.3 &rst iat = 343, 324, 326, 327, r1 = -27.2, r2 = -26.2, r3 = 30.3, r4 = 31.3, &end # 12 GUA NU0: (12 DG C4')-(12 DG O4')-(12 DG C1')-(12 DG C2') -38.5 11.9 &rst iat = 356, 358, 359, 378, r1 = -39.5, r2 = -38.5, r3 = 11.9, r4 = 12.9, &end # 12 GUA NU1: (12 DG O4')-(12 DG C1')-(12 DG C2')-(12 DG C3') -31.1 38.5 &rst iat = 358, 359, 378, 376, r1 = -32.1, r2 = -31.1, r3 = 38.5, r4 = 39.5, &end # 12 GUA NU2: (12 DG C1')-(12 DG C2')-(12 DG C3')-(12 DG C4') -38.5 38.5 &rst iat = 359, 378, 376, 356, r1 = -39.5, r2 = -38.5, r3 = 38.5, r4 = 39.5, &end # 12 GUA NU3: (12 DG C2')-(12 DG C3')-(12 DG C4')-(12 DG O4') -38.5 37.8 &rst iat = 378, 376, 356, 358, r1 = -39.5, r2 = -38.5, r3 = 37.8, r4 = 38.8, &end # 12 GUA NU4: (12 DG C3')-(12 DG C4')-(12 DG O4')-(12 DG C1') -26.2 38.5 &rst iat = 376, 356, 358, 359, r1 = -27.2, r2 = -26.2, r3 = 38.5, r4 = 39.5, &end # 13 ADE NU0: (13 DA C4')-(13 DA O4')-(13 DA C1')-(13 DA C2') -38.5 4.7 &rst iat = 389, 391, 392, 410, r1 = -39.5, r2 = -38.5, r3 = 4.7, r4 = 5.7, &end # 13 ADE NU1: (13 DA O4')-(13 DA C1')-(13 DA C2')-(13 DA C3') 13.6 43.6 &rst iat = 391, 392, 410, 408, r1 = 12.6, r2 = 13.6, r3 = 43.6, r4 = 44.6, &end # 13 ADE NU2: (13 DA C1')-(13 DA C2')-(13 DA C3')-(13 DA C4') -40.8 -10.8 &rst iat = 392, 410, 408, 389, r1 = -41.8, r2 = -40.8, r3 = -10.8, r4 = -9.8, &end # 13 ADE NU3: (13 DA C2')-(13 DA C3')-(13 DA C4')-(13 DA O4') -10.6 37.8 &rst iat = 410, 408, 389, 391, r1 = -11.6, r2 = -10.6, r3 = 37.8, r4 = 38.8, &end # 13 ADE NU4: (13 DA C3')-(13 DA C4')-(13 DA O4')-(13 DA C1') -26.2 30.3 &rst iat = 408, 389, 391, 392, r1 = -27.2, r2 = -26.2, r3 = 30.3, r4 = 31.3, &end # 14 ADE NU0: (14 DA C4')-(14 DA O4')-(14 DA C1')-(14 DA C2') -38.5 11.9 &rst iat = 421, 423, 424, 442, r1 = -39.5, r2 = -38.5, r3 = 11.9, r4 = 12.9, &end # 14 ADE NU1: (14 DA O4')-(14 DA C1')-(14 DA C2')-(14 DA C3') -31.1 38.5 &rst iat = 423, 424, 442, 440, r1 = -32.1, r2 = -31.1, r3 = 38.5, r4 = 39.5, &end # 14 ADE NU2: (14 DA C1')-(14 DA C2')-(14 DA C3')-(14 DA C4') -38.5 38.5 &rst iat = 424, 442, 440, 421, r1 = -39.5, r2 = -38.5, r3 = 38.5, r4 = 39.5, &end # 14 ADE NU3: (14 DA C2')-(14 DA C3')-(14 DA C4')-(14 DA O4') -38.5 37.8 &rst iat = 442, 440, 421, 423, r1 = -39.5, r2 = -38.5, r3 = 37.8, r4 = 38.8, &end # 14 ADE NU4: (14 DA C3')-(14 DA C4')-(14 DA O4')-(14 DA C1') -26.2 38.5 &rst iat = 440, 421, 423, 424, r1 = -27.2, r2 = -26.2, r3 = 38.5, r4 = 39.5, &end # 15 THY NU0: (15 T C4')-(15 T O4')-(15 T C1')-(15 T C2') -38.5 4.7 &rst iat = 453, 455, 456, 474, r1 = -39.5, r2 = -38.5, r3 = 4.7, r4 = 5.7, &end # 15 THY NU1: (15 T O4')-(15 T C1')-(15 T C2')-(15 T C3') 13.6 43.6 &rst iat = 455, 456, 474, 472, r1 = 12.6, r2 = 13.6, r3 = 43.6, r4 = 44.6, &end # 15 THY NU2: (15 T C1')-(15 T C2')-(15 T C3')-(15 T C4') -40.8 -10.8 &rst iat = 456, 474, 472, 453, r1 = -41.8, r2 = -40.8, r3 = -10.8, r4 = -9.8, &end # 15 THY NU3: (15 T C2')-(15 T C3')-(15 T C4')-(15 T O4') -10.6 37.8 &rst iat = 474, 472, 453, 455, r1 = -11.6, r2 = -10.6, r3 = 37.8, r4 = 38.8, &end # 15 THY NU4: (15 T C3')-(15 T C4')-(15 T O4')-(15 T C1') -26.2 30.3 &rst iat = 472, 453, 455, 456, r1 = -27.2, r2 = -26.2, r3 = 30.3, r4 = 31.3, &end # 16 CYT NU0: (16 DC C4')-(16 DC O4')-(16 DC C1')-(16 DC C2') -38.5 4.7 &rst iat = 485, 487, 488, 504, r1 = -39.5, r2 = -38.5, r3 = 11.9, r4 = 12.9, &end # 16 CYT NU1: (16 DC O4')-(16 DC C1')-(16 DC C2')-(16 DC C3') 13.6 43.6 &rst iat = 487, 488, 504, 502, r1 = -32.1, r2 = -31.1, r3 = 38.5, r4 = 39.5, &end # 16 CYT NU2: (16 DC C1')-(16 DC C2')-(16 DC C3')-(16 DC C4') -40.8 -10.8 &rst iat = 488, 504, 502, 485, r1 = -39.5, r2 = -38.5, r3 = 38.5, r4 = 39.5, &end # 16 CYT NU3: (16 DC C2')-(16 DC C3')-(16 DC C4')-(16 DC O4') -10.6 37.8 &rst iat = 504, 502, 485, 487, r1 = -39.5, r2 = -38.5, r3 = 37.8, r4 = 38.8, &end # 16 CYT NU4: (16 DC C3')-(16 DC C4')-(16 DC O4')-(16 DC C1') -26.2 30.3 &rst iat = 502, 485, 487, 488, r1 = -27.2, r2 = -26.2, r3 = 38.5, r4 = 39.5, &end # 17 ADE NU0: (17 DA C4')-(17 DA O4')-(17 DA C1')-(17 DA C2') -38.5 11.9 &rst iat = 515, 517, 518, 536, r1 = -39.5, r2 = -38.5, r3 = 11.9, r4 = 12.9, &end # 17 ADE NU1: (17 DA O4')-(17 DA C1')-(17 DA C2')-(17 DA C3') -31.1 38.5 &rst iat = 517, 518, 536, 534, r1 = -32.1, r2 = -31.1, r3 = 38.5, r4 = 39.5, &end # 17 ADE NU2: (17 DA C1')-(17 DA C2')-(17 DA C3')-(17 DA C4') -38.5 38.5 &rst iat = 518, 536, 534, 515, r1 = -39.5, r2 = -38.5, r3 = 38.5, r4 = 39.5, &end # 17 ADE NU3: (17 DA C2')-(17 DA C3')-(17 DA C4')-(17 DA O4') -38.5 37.8 &rst iat = 536, 534, 515, 517, r1 = -39.5, r2 = -38.5, r3 = 37.8, r4 = 38.8, &end # 17 ADE NU4: (17 DA C3')-(17 DA C4')-(17 DA O4')-(17 DA C1') -26.2 38.5 &rst iat = 534, 515, 517, 518, r1 = -27.2, r2 = -26.2, r3 = 38.5, r4 = 39.5, &end # 18 THY NU0: (18 T C4')-(18 T O4')-(18 T C1')-(18 T C2') -38.5 4.7 &rst iat = 547, 549, 550, 568, r1 = -39.5, r2 = -38.5, r3 = 4.7, r4 = 5.7, &end # 18 THY NU1: (18 T O4')-(18 T C1')-(18 T C2')-(18 T C3') 13.6 43.6 &rst iat = 549, 550, 568, 566, r1 = 12.6, r2 = 13.6, r3 = 43.6, r4 = 44.6, &end # 18 THY NU2: (18 T C1')-(18 T C2')-(18 T C3')-(18 T C4') -40.8 -10.8 &rst iat = 550, 568, 566, 547, r1 = -41.8, r2 = -40.8, r3 = -10.8, r4 = -9.8, &end # 18 THY NU3: (18 T C2')-(18 T C3')-(18 T C4')-(18 T O4') -10.6 37.8 &rst iat = 568, 566, 547, 549, r1 = -11.6, r2 = -10.6, r3 = 37.8, r4 = 38.8, &end # 18 THY NU4: (18 T C3')-(18 T C4')-(18 T O4')-(18 T C1') -26.2 30.3 &rst iat = 566, 547, 549, 550, r1 = -27.2, r2 = -26.2, r3 = 30.3, r4 = 31.3, &end # 19 ADE NU0: (19 DA C4')-(19 DA O4')-(19 DA C1')-(19 DA C2') -38.5 4.7 &rst iat = 579, 581, 582, 600, r1 = -39.5, r2 = -38.5, r3 = 4.7, r4 = 5.7, &end # 19 ADE NU1: (19 DA O4')-(19 DA C1')-(19 DA C2')-(19 DA C3') 13.6 43.6 &rst iat = 581, 582, 600, 598, r1 = 12.6, r2 = 13.6, r3 = 43.6, r4 = 44.6, &end # 19 ADE NU2: (19 DA C1')-(19 DA C2')-(19 DA C3')-(19 DA C4') -40.8 -10.8 &rst iat = 582, 600, 598, 579, r1 = -41.8, r2 = -40.8, r3 = -10.8, r4 = -9.8, &end # 19 ADE NU3: (19 DA C2')-(19 DA C3')-(19 DA C4')-(19 DA O4') -10.6 37.8 &rst iat = 600, 598, 579, 581, r1 = -11.6, r2 = -10.6, r3 = 37.8, r4 = 38.8, &end # 19 ADE NU4: (19 DA C3')-(19 DA C4')-(19 DA O4')-(19 DA C1') -26.2 30.3 &rst iat = 598, 579, 581, 582, r1 = -27.2, r2 = -26.2, r3 = 30.3, r4 = 31.3, &end # 20 GUA NU0: (20 DG3 C4')-(20 DG3 O4')-(20 DG3 C1')-(20 DG3 C2') -38.5 4.7 &rst iat = 611, 613, 614, 633, r1 = -39.5, r2 = -38.5, r3 = 4.7, r4 = 5.7, &end # 20 GUA NU1: (20 DG3 O4')-(20 DG3 C1')-(20 DG3 C2')-(20 DG3 C3') 13.6 43.6 &rst iat = 613, 614, 633, 631, r1 = 12.6, r2 = 13.6, r3 = 43.6, r4 = 44.6, &end # 20 GUA NU2: (20 DG3 C1')-(20 DG3 C2')-(20 DG3 C3')-(20 DG3 C4') -40.8 -10.8 &rst iat = 614, 633, 631, 611, r1 = -41.8, r2 = -40.8, r3 = -10.8, r4 = -9.8, &end # 20 GUA NU3: (20 DG3 C2')-(20 DG3 C3')-(20 DG3 C4')-(20 DG3 O4') -10.6 37.8 &rst iat = 633, 631, 611, 613, r1 = -11.6, r2 = -10.6, r3 = 37.8, r4 = 38.8, &end # 20 GUA NU4: (20 DG3 C3')-(20 DG3 C4')-(20 DG3 O4')-(20 DG3 C1') -26.2 30.3 &rst iat = 631, 611, 613, 614, r1 = -27.2, r2 = -26.2, r3 = 30.3, r4 = 31.3, &end #
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