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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643540 |
6rs3   |
34403 | cing | 1-original | 3 | AMBER | dihedral angle |
# Restraints file 4: dihedral.amber # 710 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) 170.0 310.0 &rst iat = 204, 205, 207, 221, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 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 2F O4')-(14 2F C1')-(14 2F N9)-(14 2F C4) 25.0 110.0 &rst iat = 429, 430, 444, 445, r1 = 24.0, r2 = 25.0, r3 = 110.0, r4 = 111.0, / # 15 DG CHI: (15 2F O4')-(15 2F C1')-(15 2F N9)-(15 2F C4) 170.0 310.0 &rst iat = 462, 463, 477, 478, 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 = 492, 493, 495, 509, 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 = 525, 526, 528, 542, 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 = 558, 559, 561, 574, 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 = 590, 591, 593, 603, 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) 10.0 95.0 &rst iat = 620, 621, 623, 637, r1 = 9.0, r2 = 10.0, r3 = 95.0, r4 = 96.0, / # 21 DG CHI: (21 DG O4')-(21 DG C1')-(21 DG N9)-(21 DG C4) 170.0 310.0 &rst iat = 653, 654, 656, 670, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 22 DG CHI: (22 DG3 O4')-(22 DG3 C1')-(22 DG3 N9)-(22 DG3 C4) 170.0 310.0 &rst iat = 686, 687, 689, 703, 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, / # 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, / # 15 DG NU0: (15 2F C4')-(15 2F O4')-(15 2F C1')-(15 2F C2') -38.9 -8.9 &rst iat = 457, 462, 463, 465, r1 = -39.9, r2 = -38.9, r3 = -8.9, r4 = -7.9, / # 15 DG NU1: (15 2F O4')-(15 2F C1')-(15 2F C2')-(15 2F C3') -12.5 22.6 &rst iat = 462, 463, 465, 455, r1 = -13.5, r2 = -12.5, r3 = 22.6, r4 = 23.6, / # 15 DG NU2: (15 2F C1')-(15 2F C2')-(15 2F C3')-(15 2F C4') 0.0 31.5 &rst iat = 463, 465, 455, 457, r1 = -1.0, r2 = 0.0, r3 = 31.5, r4 = 32.5, / # 15 DG NU3: (15 2F C2')-(15 2F C3')-(15 2F C4')-(15 2F O4') -45.6 -15.6 &rst iat = 465, 455, 457, 462, r1 = -46.6, r2 = -45.6, r3 = -15.6, r4 = -14.6, / # 15 DG NU4: (15 2F C3')-(15 2F C4')-(15 2F O4')-(15 2F C1') 19.6 49.6 &rst iat = 455, 457, 462, 463, r1 = 18.6, r2 = 19.6, r3 = 49.6, r4 = 50.6, / # 16 DG NU0: (16 DG C4')-(16 DG O4')-(16 DG C1')-(16 DG C2') -36.5 -6.5 &rst iat = 490, 492, 493, 512, 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 = 492, 493, 512, 510, 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 = 493, 512, 510, 490, 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 = 512, 510, 490, 492, 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 = 510, 490, 492, 493, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 17 DG NU0: (17 DG C4')-(17 DG O4')-(17 DG C1')-(17 DG C2') -36.5 -6.5 &rst iat = 523, 525, 526, 545, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 17 DG NU1: (17 DG O4')-(17 DG C1')-(17 DG C2')-(17 DG C3') 19.8 49.8 &rst iat = 525, 526, 545, 543, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 17 DG NU2: (17 DG C1')-(17 DG C2')-(17 DG C3')-(17 DG C4') -49.8 -19.8 &rst iat = 526, 545, 543, 523, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 17 DG NU3: (17 DG C2')-(17 DG C3')-(17 DG C4')-(17 DG O4') 6.5 36.5 &rst iat = 545, 543, 523, 525, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 17 DG NU4: (17 DG C3')-(17 DG C4')-(17 DG O4')-(17 DG C1') -15.0 15.0 &rst iat = 543, 523, 525, 526, 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 = 556, 558, 559, 577, 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 = 558, 559, 577, 575, 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 = 559, 577, 575, 556, 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 = 577, 575, 556, 558, 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 = 575, 556, 558, 559, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 19 DC NU0: (19 DC C4')-(19 DC O4')-(19 DC C1')-(19 DC C2') -36.5 -6.5 &rst iat = 588, 590, 591, 607, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 19 DC NU1: (19 DC O4')-(19 DC C1')-(19 DC C2')-(19 DC C3') 19.8 49.8 &rst iat = 590, 591, 607, 605, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 19 DC NU2: (19 DC C1')-(19 DC C2')-(19 DC C3')-(19 DC C4') -49.8 -19.8 &rst iat = 591, 607, 605, 588, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 19 DC NU3: (19 DC C2')-(19 DC C3')-(19 DC C4')-(19 DC O4') 6.5 36.5 &rst iat = 607, 605, 588, 590, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 19 DC NU4: (19 DC C3')-(19 DC C4')-(19 DC O4')-(19 DC C1') -15.0 15.0 &rst iat = 605, 588, 590, 591, 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 = 618, 620, 621, 640, 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 = 620, 621, 640, 638, 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 = 621, 640, 638, 618, 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 = 640, 638, 618, 620, 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 = 638, 618, 620, 621, 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 = 651, 653, 654, 673, 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 = 653, 654, 673, 671, 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 = 654, 673, 671, 651, 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 = 673, 671, 651, 653, 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 = 671, 651, 653, 654, 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 = 684, 686, 687, 706, 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 = 686, 687, 706, 704, 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 = 687, 706, 704, 684, 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 = 706, 704, 684, 686, 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 = 704, 684, 686, 687, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, /
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