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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651462 |
6yep   |
34502 | cing | 1-original | 4 | AMBER | dihedral angle |
# Restraints file 4: dihedral.amber # 712 atoms read from pdb file reference.pdb. # 1 DG CHI: (1 DG5 O4')-(1 DG5 C1')-(1 DG5 N9)-(1 DG5 C4) 25.0 95.0 &rst iat = 8, 9, 11, 25, r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0, rk2=200.0, rk3=200.0, / # 2 DG CHI: (2 DG O4')-(2 DG C1')-(2 DG N9)-(2 DG C4) 170.0 310.0 &rst iat = 41, 42, 44, 58, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 3 DG CHI: (3 DG O4')-(3 DG C1')-(3 DG N9)-(3 DG C4) 170.0 310.0 &rst iat = 74, 75, 77, 91, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 4 DA CHI: (4 DA O4')-(4 DA C1')-(4 DA N9)-(4 DA C4) 170.0 310.0 &rst iat = 107, 108, 110, 123, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 5 DT CHI: (5 DT O4')-(5 DT C1')-(5 DT N1)-(5 DT C2) 170.0 310.0 &rst iat = 139, 140, 142, 154, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 6 DG CHI: (6 DG O4')-(6 DG C1')-(6 DG N9)-(6 DG C4) 25.0 95.0 &rst iat = 171, 172, 174, 188, r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0, / # 7 DG CHI: (7 DG O4')-(7 DG C1')-(7 DG N9)-(7 DG C4) 25.0 95.0 &rst iat = 204, 205, 207, 221, r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0, / # 8 DG CHI: (8 DG O4')-(8 DG C1')-(8 DG N9)-(8 DG C4) 170.0 310.0 &rst iat = 237, 238, 240, 254, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 9 DA CHI: (9 DA O4')-(9 DA C1')-(9 DA N9)-(9 DA C4) 170.0 310.0 &rst iat = 270, 271, 273, 286, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 10 DC CHI: (10 DC O4')-(10 DC C1')-(10 DC N1)-(10 DC C2) 170.0 310.0 &rst iat = 302, 303, 305, 315, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 11 DA CHI: (11 DA O4')-(11 DA C1')-(11 DA N9)-(11 DA C4) 170.0 310.0 &rst iat = 332, 333, 335, 348, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 12 DC CHI: (12 DC O4')-(12 DC C1')-(12 DC N1)-(12 DC C2) 170.0 310.0 &rst iat = 364, 365, 367, 377, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 13 DA CHI: (13 DA O4')-(13 DA C1')-(13 DA N9)-(13 DA C4) 170.0 310.0 &rst iat = 394, 395, 397, 410, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 14 DG CHI: (14 DG O4')-(14 DG C1')-(14 DG N9)-(14 DG C4) 25.0 95.0 &rst iat = 426, 427, 429, 443, r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0, / # 15 DG CHI: (15 LCG O4')-(15 LCG C1')-(15 LCG N9)-(15 LCG C4) 170.0 310.0 &rst iat = 458, 459, 461, 475, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 16 DG CHI: (16 DG O4')-(16 DG C1')-(16 DG N9)-(16 DG C4) 170.0 310.0 &rst iat = 494, 495, 497, 511, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 17 DG CHI: (17 DG O4')-(17 DG C1')-(17 DG N9)-(17 DG C4) 170.0 310.0 &rst iat = 527, 528, 530, 544, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 18 DA CHI: (18 DA O4')-(18 DA C1')-(18 DA N9)-(18 DA C4) 170.0 310.0 &rst iat = 560, 561, 563, 576, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 19 DC CHI: (19 DC O4')-(19 DC C1')-(19 DC N1)-(19 DC C2) 170.0 310.0 &rst iat = 592, 593, 595, 605, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 20 DG CHI: (20 DG O4')-(20 DG C1')-(20 DG N9)-(20 DG C4) 25.0 95.0 &rst iat = 622, 623, 625, 639, r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0, / # 21 DG CHI: (21 DG O4')-(21 DG C1')-(21 DG N9)-(21 DG C4) 25.0 95.0 &rst iat = 655, 656, 658, 672, r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0, / # 22 DG CHI: (22 DG3 O4')-(22 DG3 C1')-(22 DG3 N9)-(22 DG3 C4) 170.0 310.0 &rst iat = 688, 689, 691, 705, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 1 DG 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, / # 1 DG NU1: (1 DG5 O4')-(1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3') 19.8 49.8 &rst iat = 8, 9, 28, 26, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 1 DG NU2: (1 DG5 C1')-(1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4') -49.8 -19.8 &rst iat = 9, 28, 26, 6, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 1 DG NU3: (1 DG5 C2')-(1 DG5 C3')-(1 DG5 C4')-(1 DG5 O4') 6.5 36.5 &rst iat = 28, 26, 6, 8, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 1 DG NU4: (1 DG5 C3')-(1 DG5 C4')-(1 DG5 O4')-(1 DG5 C1') -15.0 15.0 &rst iat = 26, 6, 8, 9, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 2 DG NU0: (2 DG C4')-(2 DG O4')-(2 DG C1')-(2 DG C2') -36.5 -6.5 &rst iat = 39, 41, 42, 61, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 2 DG NU1: (2 DG O4')-(2 DG C1')-(2 DG C2')-(2 DG C3') 19.8 49.8 &rst iat = 41, 42, 61, 59, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 2 DG NU2: (2 DG C1')-(2 DG C2')-(2 DG C3')-(2 DG C4') -49.8 -19.8 &rst iat = 42, 61, 59, 39, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 2 DG NU3: (2 DG C2')-(2 DG C3')-(2 DG C4')-(2 DG O4') 6.5 36.5 &rst iat = 61, 59, 39, 41, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 2 DG NU4: (2 DG C3')-(2 DG C4')-(2 DG O4')-(2 DG C1') -15.0 15.0 &rst iat = 59, 39, 41, 42, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 3 DG NU0: (3 DG C4')-(3 DG O4')-(3 DG C1')-(3 DG C2') -36.5 -6.5 &rst iat = 72, 74, 75, 94, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 3 DG NU1: (3 DG O4')-(3 DG C1')-(3 DG C2')-(3 DG C3') 19.8 49.8 &rst iat = 74, 75, 94, 92, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 3 DG NU2: (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') -49.8 -19.8 &rst iat = 75, 94, 92, 72, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 3 DG NU3: (3 DG C2')-(3 DG C3')-(3 DG C4')-(3 DG O4') 6.5 36.5 &rst iat = 94, 92, 72, 74, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 3 DG NU4: (3 DG C3')-(3 DG C4')-(3 DG O4')-(3 DG C1') -15.0 15.0 &rst iat = 92, 72, 74, 75, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 4 DA NU0: (4 DA C4')-(4 DA O4')-(4 DA C1')-(4 DA C2') -36.5 -6.5 &rst iat = 105, 107, 108, 126, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 4 DA NU1: (4 DA O4')-(4 DA C1')-(4 DA C2')-(4 DA C3') 19.8 49.8 &rst iat = 107, 108, 126, 124, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 4 DA NU2: (4 DA C1')-(4 DA C2')-(4 DA C3')-(4 DA C4') -49.8 -19.8 &rst iat = 108, 126, 124, 105, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 4 DA NU3: (4 DA C2')-(4 DA C3')-(4 DA C4')-(4 DA O4') 6.5 36.5 &rst iat = 126, 124, 105, 107, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 4 DA NU4: (4 DA C3')-(4 DA C4')-(4 DA O4')-(4 DA C1') -15.0 15.0 &rst iat = 124, 105, 107, 108, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 5 DT NU0: (5 DT C4')-(5 DT O4')-(5 DT C1')-(5 DT C2') -36.5 -6.5 &rst iat = 137, 139, 140, 158, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 5 DT NU1: (5 DT O4')-(5 DT C1')-(5 DT C2')-(5 DT C3') 19.8 49.8 &rst iat = 139, 140, 158, 156, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 5 DT NU2: (5 DT C1')-(5 DT C2')-(5 DT C3')-(5 DT C4') -49.8 -19.8 &rst iat = 140, 158, 156, 137, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 5 DT NU3: (5 DT C2')-(5 DT C3')-(5 DT C4')-(5 DT O4') 6.5 36.5 &rst iat = 158, 156, 137, 139, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 5 DT NU4: (5 DT C3')-(5 DT C4')-(5 DT O4')-(5 DT C1') -15.0 15.0 &rst iat = 156, 137, 139, 140, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 6 DG NU0: (6 DG C4')-(6 DG O4')-(6 DG C1')-(6 DG C2') -36.5 -6.5 &rst iat = 169, 171, 172, 191, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 6 DG NU1: (6 DG O4')-(6 DG C1')-(6 DG C2')-(6 DG C3') 19.8 49.8 &rst iat = 171, 172, 191, 189, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 6 DG NU2: (6 DG C1')-(6 DG C2')-(6 DG C3')-(6 DG C4') -49.8 -19.8 &rst iat = 172, 191, 189, 169, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 6 DG NU3: (6 DG C2')-(6 DG C3')-(6 DG C4')-(6 DG O4') 6.5 36.5 &rst iat = 191, 189, 169, 171, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 6 DG NU4: (6 DG C3')-(6 DG C4')-(6 DG O4')-(6 DG C1') -15.0 15.0 &rst iat = 189, 169, 171, 172, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 7 DG NU0: (7 DG C4')-(7 DG O4')-(7 DG C1')-(7 DG C2') -36.5 -6.5 &rst iat = 202, 204, 205, 224, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 7 DG NU1: (7 DG O4')-(7 DG C1')-(7 DG C2')-(7 DG C3') 19.8 49.8 &rst iat = 204, 205, 224, 222, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 7 DG NU2: (7 DG C1')-(7 DG C2')-(7 DG C3')-(7 DG C4') -49.8 -19.8 &rst iat = 205, 224, 222, 202, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 7 DG NU3: (7 DG C2')-(7 DG C3')-(7 DG C4')-(7 DG O4') 6.5 36.5 &rst iat = 224, 222, 202, 204, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 7 DG NU4: (7 DG C3')-(7 DG C4')-(7 DG O4')-(7 DG C1') -15.0 15.0 &rst iat = 222, 202, 204, 205, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 8 DG NU0: (8 DG C4')-(8 DG O4')-(8 DG C1')-(8 DG C2') -36.5 -6.5 &rst iat = 235, 237, 238, 257, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 8 DG NU1: (8 DG O4')-(8 DG C1')-(8 DG C2')-(8 DG C3') 19.8 49.8 &rst iat = 237, 238, 257, 255, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 8 DG NU2: (8 DG C1')-(8 DG C2')-(8 DG C3')-(8 DG C4') -49.8 -19.8 &rst iat = 238, 257, 255, 235, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 8 DG NU3: (8 DG C2')-(8 DG C3')-(8 DG C4')-(8 DG O4') 6.5 36.5 &rst iat = 257, 255, 235, 237, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 8 DG NU4: (8 DG C3')-(8 DG C4')-(8 DG O4')-(8 DG C1') -15.0 15.0 &rst iat = 255, 235, 237, 238, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 9 DA NU0: (9 DA C4')-(9 DA O4')-(9 DA C1')-(9 DA C2') -36.5 -6.5 &rst iat = 268, 270, 271, 289, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 9 DA NU1: (9 DA O4')-(9 DA C1')-(9 DA C2')-(9 DA C3') 19.8 49.8 &rst iat = 270, 271, 289, 287, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 9 DA NU2: (9 DA C1')-(9 DA C2')-(9 DA C3')-(9 DA C4') -49.8 -19.8 &rst iat = 271, 289, 287, 268, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 9 DA NU3: (9 DA C2')-(9 DA C3')-(9 DA C4')-(9 DA O4') 6.5 36.5 &rst iat = 289, 287, 268, 270, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 9 DA NU4: (9 DA C3')-(9 DA C4')-(9 DA O4')-(9 DA C1') -15.0 15.0 &rst iat = 287, 268, 270, 271, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 10 DC NU0: (10 DC C4')-(10 DC O4')-(10 DC C1')-(10 DC C2') -36.5 -6.5 &rst iat = 300, 302, 303, 319, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 10 DC NU1: (10 DC O4')-(10 DC C1')-(10 DC C2')-(10 DC C3') 19.8 49.8 &rst iat = 302, 303, 319, 317, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 10 DC NU2: (10 DC C1')-(10 DC C2')-(10 DC C3')-(10 DC C4') -49.8 -19.8 &rst iat = 303, 319, 317, 300, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 10 DC NU3: (10 DC C2')-(10 DC C3')-(10 DC C4')-(10 DC O4') 6.5 36.5 &rst iat = 319, 317, 300, 302, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 10 DC NU4: (10 DC C3')-(10 DC C4')-(10 DC O4')-(10 DC C1') -15.0 15.0 &rst iat = 317, 300, 302, 303, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 11 DA NU0: (11 DA C4')-(11 DA O4')-(11 DA C1')-(11 DA C2') -36.5 -6.5 &rst iat = 330, 332, 333, 351, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 11 DA NU1: (11 DA O4')-(11 DA C1')-(11 DA C2')-(11 DA C3') 19.8 49.8 &rst iat = 332, 333, 351, 349, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 11 DA NU2: (11 DA C1')-(11 DA C2')-(11 DA C3')-(11 DA C4') -49.8 -19.8 &rst iat = 333, 351, 349, 330, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 11 DA NU3: (11 DA C2')-(11 DA C3')-(11 DA C4')-(11 DA O4') 6.5 36.5 &rst iat = 351, 349, 330, 332, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 11 DA NU4: (11 DA C3')-(11 DA C4')-(11 DA O4')-(11 DA C1') -15.0 15.0 &rst iat = 349, 330, 332, 333, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 12 DC NU0: (12 DC C4')-(12 DC O4')-(12 DC C1')-(12 DC C2') -36.5 -6.5 &rst iat = 362, 364, 365, 381, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 12 DC NU1: (12 DC O4')-(12 DC C1')-(12 DC C2')-(12 DC C3') 19.8 49.8 &rst iat = 364, 365, 381, 379, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 12 DC NU2: (12 DC C1')-(12 DC C2')-(12 DC C3')-(12 DC C4') -49.8 -19.8 &rst iat = 365, 381, 379, 362, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 12 DC NU3: (12 DC C2')-(12 DC C3')-(12 DC C4')-(12 DC O4') 6.5 36.5 &rst iat = 381, 379, 362, 364, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 12 DC NU4: (12 DC C3')-(12 DC C4')-(12 DC O4')-(12 DC C1') -15.0 15.0 &rst iat = 379, 362, 364, 365, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 13 DA NU0: (13 DA C4')-(13 DA O4')-(13 DA C1')-(13 DA C2') -36.5 -6.5 &rst iat = 392, 394, 395, 413, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 13 DA NU1: (13 DA O4')-(13 DA C1')-(13 DA C2')-(13 DA C3') 19.8 49.8 &rst iat = 394, 395, 413, 411, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 13 DA NU2: (13 DA C1')-(13 DA C2')-(13 DA C3')-(13 DA C4') -49.8 -19.8 &rst iat = 395, 413, 411, 392, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 13 DA NU3: (13 DA C2')-(13 DA C3')-(13 DA C4')-(13 DA O4') 6.5 36.5 &rst iat = 413, 411, 392, 394, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 13 DA NU4: (13 DA C3')-(13 DA C4')-(13 DA O4')-(13 DA C1') -15.0 15.0 &rst iat = 411, 392, 394, 395, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 14 DG NU0: (14 DG C4')-(14 DG O4')-(14 DG C1')-(14 DG C2') -36.5 -6.5 &rst iat = 424, 426, 427, 446, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 14 DG NU1: (14 DG O4')-(14 DG C1')-(14 DG C2')-(14 DG C3') 19.8 49.8 &rst iat = 426, 427, 446, 444, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 14 DG NU2: (14 DG C1')-(14 DG C2')-(14 DG C3')-(14 DG C4') -49.8 -19.8 &rst iat = 427, 446, 444, 424, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 14 DG NU3: (14 DG C2')-(14 DG C3')-(14 DG C4')-(14 DG O4') 6.5 36.5 &rst iat = 446, 444, 424, 426, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 14 DG NU4: (14 DG C3')-(14 DG C4')-(14 DG O4')-(14 DG C1') -15.0 15.0 &rst iat = 444, 424, 426, 427, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 16 DG NU0: (16 DG C4')-(16 DG O4')-(16 DG C1')-(16 DG C2') -36.5 -6.5 &rst iat = 492, 494, 495, 514, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 16 DG NU1: (16 DG O4')-(16 DG C1')-(16 DG C2')-(16 DG C3') 19.8 49.8 &rst iat = 494, 495, 514, 512, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 16 DG NU2: (16 DG C1')-(16 DG C2')-(16 DG C3')-(16 DG C4') -49.8 -19.8 &rst iat = 495, 514, 512, 492, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 16 DG NU3: (16 DG C2')-(16 DG C3')-(16 DG C4')-(16 DG O4') 6.5 36.5 &rst iat = 514, 512, 492, 494, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 16 DG NU4: (16 DG C3')-(16 DG C4')-(16 DG O4')-(16 DG C1') -15.0 15.0 &rst iat = 512, 492, 494, 495, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 18 DA NU0: (18 DA C4')-(18 DA O4')-(18 DA C1')-(18 DA C2') -36.5 -6.5 &rst iat = 558, 560, 561, 579, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 18 DA NU1: (18 DA O4')-(18 DA C1')-(18 DA C2')-(18 DA C3') 19.8 49.8 &rst iat = 560, 561, 579, 577, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 18 DA NU2: (18 DA C1')-(18 DA C2')-(18 DA C3')-(18 DA C4') -49.8 -19.8 &rst iat = 561, 579, 577, 558, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 18 DA NU3: (18 DA C2')-(18 DA C3')-(18 DA C4')-(18 DA O4') 6.5 36.5 &rst iat = 579, 577, 558, 560, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 18 DA NU4: (18 DA C3')-(18 DA C4')-(18 DA O4')-(18 DA C1') -15.0 15.0 &rst iat = 577, 558, 560, 561, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 20 DG NU0: (20 DG C4')-(20 DG O4')-(20 DG C1')-(20 DG C2') -36.5 -6.5 &rst iat = 620, 622, 623, 642, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 20 DG NU1: (20 DG O4')-(20 DG C1')-(20 DG C2')-(20 DG C3') 19.8 49.8 &rst iat = 622, 623, 642, 640, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 20 DG NU2: (20 DG C1')-(20 DG C2')-(20 DG C3')-(20 DG C4') -49.8 -19.8 &rst iat = 623, 642, 640, 620, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 20 DG NU3: (20 DG C2')-(20 DG C3')-(20 DG C4')-(20 DG O4') 6.5 36.5 &rst iat = 642, 640, 620, 622, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 20 DG NU4: (20 DG C3')-(20 DG C4')-(20 DG O4')-(20 DG C1') -15.0 15.0 &rst iat = 640, 620, 622, 623, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 21 DG NU0: (21 DG C4')-(21 DG O4')-(21 DG C1')-(21 DG C2') -36.5 -6.5 &rst iat = 653, 655, 656, 675, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 21 DG NU1: (21 DG O4')-(21 DG C1')-(21 DG C2')-(21 DG C3') 19.8 49.8 &rst iat = 655, 656, 675, 673, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 21 DG NU2: (21 DG C1')-(21 DG C2')-(21 DG C3')-(21 DG C4') -49.8 -19.8 &rst iat = 656, 675, 673, 653, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 21 DG NU3: (21 DG C2')-(21 DG C3')-(21 DG C4')-(21 DG O4') 6.5 36.5 &rst iat = 675, 673, 653, 655, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 21 DG NU4: (21 DG C3')-(21 DG C4')-(21 DG O4')-(21 DG C1') -15.0 15.0 &rst iat = 673, 653, 655, 656, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 22 DG NU0: (22 DG3 C4')-(22 DG3 O4')-(22 DG3 C1')-(22 DG3 C2') -36.5 -6.5 &rst iat = 686, 688, 689, 708, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 22 DG NU1: (22 DG3 O4')-(22 DG3 C1')-(22 DG3 C2')-(22 DG3 C3') 19.8 49.8 &rst iat = 688, 689, 708, 706, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 22 DG NU2: (22 DG3 C1')-(22 DG3 C2')-(22 DG3 C3')-(22 DG3 C4') -49.8 -19.8 &rst iat = 689, 708, 706, 686, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 22 DG NU3: (22 DG3 C2')-(22 DG3 C3')-(22 DG3 C4')-(22 DG3 O4') 6.5 36.5 &rst iat = 708, 706, 686, 688, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 22 DG NU4: (22 DG3 C3')-(22 DG3 C4')-(22 DG3 O4')-(22 DG3 C1') -15.0 15.0 &rst iat = 706, 686, 688, 689, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, /
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