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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621746 |
5ov2   |
34174 | cing | 1-original | 3 | AMBER | unknown |
##glycosidic angle # 710 atoms read from pdb file ODN.pdb. # 1 FA CHI: (1 FA5 O4')-(1 FA5 C1')-(1 FA5 N9)-(1 FA5 C4) 200.0 340.0 &rst iat = 11, 12, 26, 27, r1 = 199.0, r2 = 200.0, r3 = 340.0, r4 = 341.0, rk2 = 200.0, rk3 = 200.0, &end # 2 DG CHI: (2 DG O4')-(2 DG C1')-(2 DG N9)-(2 DG C4) 200.0 280.0 &rst iat = 41, 42, 44, 58, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 3 DG CHI: (3 DG O4')-(3 DG C1')-(3 DG N9)-(3 DG C4) 200.0 280.0 &rst iat = 74, 75, 77, 91, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 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, &end # 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, &end # 6 FA CHI: (6 FA O4')-(6 FA C1')-(6 FA N9)-(6 FA C4) 100.0 280.0 &rst iat = 174, 175, 189, 190, r1 = 199.0, r2 = 200.0, r3 = 340.0, r4 = 341.0, &end # 7 DG CHI: (7 DG O4')-(7 DG C1')-(7 DG N9)-(7 DG C4) 200.0 280.0 &rst iat = 204, 205, 207, 221, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 8 DG CHI: (8 DG O4')-(8 DG C1')-(8 DG N9)-(8 DG C4) 200.0 280.0 &rst iat = 237, 238, 240, 254, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 15 DG CHI: (15 DG O4')-(15 DG C1')-(15 DG N9)-(15 DG C4) 25.0 95.0 &rst iat = 459, 460, 462, 476, r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0, &end # 16 DG CHI: (16 DG O4')-(16 DG C1')-(16 DG N9)-(16 DG C4) 25.0 95.0 &rst iat = 492, 493, 495, 509, r1 = 24.0, r2 = 25.0, r3 = 95.0, r4 = 96.0, &end # 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, &end # 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, &end # 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, &end # 20 FA CHI: (20 FA O4')-(20 FA C1')-(20 FA N9)-(20 FA C4) 100.0 280.0 &rst iat = 623, 624, 638, 639, r1 = 199.0, r2 = 200.0, r3 = 340.0, r4 = 341.0, &end # 21 DG CHI: (21 DG O4')-(21 DG C1')-(21 DG N9)-(21 DG C4) 200.0 280.0 &rst iat = 653, 654, 656, 670, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end # 22 DG CHI: (22 DG3 O4')-(22 DG3 C1')-(22 DG3 N9)-(22 DG3 C4) 200.0 280.0 &rst iat = 686, 687, 689, 703, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, &end #sugar pucker # 1 FA NU0: (1 FA5 C4')-(1 FA5 O4')-(1 FA5 C1')-(1 FA5 C2') -49.8 -19.8 &rst iat = 6, 11, 12, 14, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, rk2 = 200.0, rk3 = 200.0, &end # 1 FA NU1: (1 FA5 O4')-(1 FA5 C1')-(1 FA5 C2')-(1 FA5 C3') 10.2 40.2 &rst iat = 11, 12, 14, 4, r1 = 9.2, r2 = 10.2, r3 = 40.2, r4 = 41.2, &end # 1 FA NU2: (1 FA5 C1')-(1 FA5 C2')-(1 FA5 C3')-(1 FA5 C4') -31.1 11.9 &rst iat = 12, 14, 4, 6, r1 = -32.1, r2 = -31.1, r3 = 11.9, r4 = 12.9, &end # 1 FA NU3: (1 FA5 C2')-(1 FA5 C3')-(1 FA5 C4')-(1 FA5 O4') -31.1 11.9 &rst iat = 14, 4, 6, 11, r1 = -32.1, r2 = -31.1, r3 = 11.9, r4 = 12.9, &end # 1 FA NU4: (1 FA5 C3')-(1 FA5 C4')-(1 FA5 O4')-(1 FA5 C1') 10.2 40.2 &rst iat = 4, 6, 11, 12, r1 = 9.2, r2 = 10.2, r3 = 40.2, r4 = 41.2, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 6 FA NU0: (6 FA C4')-(6 FA O4')-(6 FA C1')-(6 FA C2') -49.8 -19.8 &rst iat = 169, 174, 175, 177, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 6 FA NU1: (6 FA O4')-(6 FA C1')-(6 FA C2')-(6 FA C3') 10.2 40.2 &rst iat = 174, 175, 177, 167, r1 = 9.2, r2 = 10.2, r3 = 40.2, r4 = 41.2, &end # 6 FA NU2: (6 FA C1')-(6 FA C2')-(6 FA C3')-(6 FA C4') -31.1 11.9 &rst iat = 175, 177, 167, 169, r1 = -32.1, r2 = -31.1, r3 = 11.9, r4 = 12.9, &end # 6 FA NU3: (6 FA C2')-(6 FA C3')-(6 FA C4')-(6 FA O4') -31.1 11.9 &rst iat = 177, 167, 169, 174, r1 = -32.1, r2 = -31.1, r3 = 11.9, r4 = 12.9, &end # 6 FA NU4: (6 FA C3')-(6 FA C4')-(6 FA O4')-(6 FA C1') 10.2 40.2 &rst iat = 167, 169, 174, 175, r1 = 9.2, r2 = 10.2, r3 = 40.2, r4 = 41.2, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 15 DG NU0: (15 DG C4')-(15 DG O4')-(15 DG C1')-(15 DG C2') -36.5 -6.5 &rst iat = 457, 459, 460, 479, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, &end # 15 DG NU1: (15 DG O4')-(15 DG C1')-(15 DG C2')-(15 DG C3') 19.8 49.8 &rst iat = 459, 460, 479, 477, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 15 DG NU2: (15 DG C1')-(15 DG C2')-(15 DG C3')-(15 DG C4') -49.8 -19.8 &rst iat = 460, 479, 477, 457, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 15 DG NU3: (15 DG C2')-(15 DG C3')-(15 DG C4')-(15 DG O4') 6.5 36.5 &rst iat = 479, 477, 457, 459, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, &end # 15 DG NU4: (15 DG C3')-(15 DG C4')-(15 DG O4')-(15 DG C1') -15.0 15.0 &rst iat = 477, 457, 459, 460, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 20 FA NU0: (20 FA C4')-(20 FA O4')-(20 FA C1')-(20 FA C2') -49.8 -19.8 &rst iat = 618, 623, 624, 626, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, &end # 20 FA NU1: (20 FA O4')-(20 FA C1')-(20 FA C2')-(20 FA C3') 10.2 40.2 &rst iat = 623, 624, 626, 616, r1 = 9.2, r2 = 10.2, r3 = 40.2, r4 = 41.2, &end # 20 FA NU2: (20 FA C1')-(20 FA C2')-(20 FA C3')-(20 FA C4') -31.1 11.9 &rst iat = 624, 626, 616, 618, r1 = -32.1, r2 = -31.1, r3 = 11.9, r4 = 12.9, &end # 20 FA NU3: (20 FA C2')-(20 FA C3')-(20 FA C4')-(20 FA O4') -31.1 11.9 &rst iat = 626, 616, 618, 623, r1 = -32.1, r2 = -31.1, r3 = 11.9, r4 = 12.9, &end # 20 FA NU4: (20 FA C3')-(20 FA C4')-(20 FA O4')-(20 FA C1') 10.2 40.2 &rst iat = 616, 618, 623, 624, r1 = 9.2, r2 = 10.2, r3 = 40.2, r4 = 41.2, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end # 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, &end
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