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 |
|
|
635564 |
6neb   |
30552 | cing | 1-original | 7 | AMBER | dihedral angle |
# Restraints file 7: dihedral_final.amber # 877 atoms read from pdb file reference.pdb. # 0 DT CHI: (1 DT5 O4')-(1 DT5 C1')-(1 DT5 N1)-(1 DT5 C2) 170.0 310.0 &rst iat = 8, 9, 11, 23, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, rk2 = 2.0, rk3 = 2.0, / # 1 DT CHI: (2 DT O4')-(2 DT C1')-(2 DT N1)-(2 DT C2) 170.0 310.0 &rst iat = 40, 41, 43, 55, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 2 DA CHI: (3 DG O4')-(3 DG C1')-(3 DG N9)-(3 DG C4) 170.0 310.0 &rst iat = 72, 73, 75, 89, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 3 DG CHI: (4 DG O4')-(4 DG C1')-(4 DG N9)-(4 DG C4) 200.0 280.0 &rst iat = 105, 106, 108, 122, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, / # 4 DG CHI: (5 DG O4')-(5 DG C1')-(5 DG N9)-(5 DG C4) 200.0 280.0 &rst iat = 138, 139, 141, 155, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, / # 5 DG CHI: (6 DG O4')-(6 DG C1')-(6 DG N9)-(6 DG C4) 200.0 280.0 &rst iat = 171, 172, 174, 188, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, / # 6 DA CHI: (7 DA O4')-(7 DA C1')-(7 DA N9)-(7 DA C4) 170.0 310.0 &rst iat = 204, 205, 207, 220, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 7 DG CHI: (8 DG O4')-(8 DG C1')-(8 DG N9)-(8 DG C4) 200.0 280.0 &rst iat = 236, 237, 239, 253, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, / # 8 DG CHI: (9 DG O4')-(9 DG C1')-(9 DG N9)-(9 DG C4) 200.0 280.0 &rst iat = 269, 270, 272, 286, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, / # 9 DG CHI: (10 DG O4')-(10 DG C1')-(10 DG N9)-(10 DG C4) 200.0 280.0 &rst iat = 302, 303, 305, 319, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, / # 10 DT CHI: (11 DT O4')-(11 DT C1')-(11 DT N1)-(11 DT C2) 170.0 310.0 &rst iat = 335, 336, 338, 350, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 11 DT CHI: (12 DT O4')-(12 DT C1')-(12 DT N1)-(12 DT C2) 170.0 310.0 &rst iat = 367, 368, 370, 382, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 12 DT CHI: (13 DT O4')-(13 DT C1')-(13 DT N1)-(13 DT C2) 170.0 310.0 &rst iat = 399, 400, 402, 414, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 13 DT CHI: (14 DT O4')-(14 DT C1')-(14 DT N1)-(14 DT C2) 170.0 310.0 &rst iat = 431, 432, 434, 446, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 14 DA CHI: (15 DA O4')-(15 DA C1')-(15 DA N9)-(15 DA C4) 170.0 310.0 &rst iat = 463, 464, 466, 479, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 15 DA CHI: (16 DA O4')-(16 DA C1')-(16 DA N9)-(16 DA C4) 0.0 120.0 &rst iat = 495, 496, 498, 511, r1 = -1.0, r2 = 0.0, r3 = 120.0, r4 = 121.0, / # 16 DG CHI: (17 DG O4')-(17 DG C1')-(17 DG N9)-(17 DG C4) 200.0 280.0 &rst iat = 527, 528, 530, 544, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, / # 17 DG CHI: (18 DG O4')-(18 DG C1')-(18 DG N9)-(18 DG C4) 200.0 280.0 &rst iat = 560, 561, 563, 577, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, / # 18 DG CHI: (19 DG O4')-(19 DG C1')-(19 DG N9)-(19 DG C4) 200.0 280.0 &rst iat = 593, 594, 596, 610, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, / # 19 DT CHI: (20 DT O4')-(20 DT C1')-(20 DT N1)-(20 DT C2) 170.0 310.0 &rst iat = 626, 627, 629, 641, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 20 DG CHI: (21 DG O4')-(21 DG C1')-(21 DG N9)-(21 DG C4) 200.0 280.0 &rst iat = 658, 659, 661, 675, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, / # 21 DG CHI: (22 DG O4')-(22 DG C1')-(22 DG N9)-(22 DG C4) 200.0 280.0 &rst iat = 691, 692, 694, 708, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, / # 22 DG CHI: (23 DG O4')-(23 DG C1')-(23 DG N9)-(23 DG C4) 200.0 280.0 &rst iat = 724, 725, 727, 741, r1 = 199.0, r2 = 200.0, r3 = 280.0, r4 = 281.0, / # 23 DG CHI: (24 DG O4')-(24 DG C1')-(24 DG N9)-(24 DG C4) 170.0 310.0 &rst iat = 757, 758, 760, 774, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 24 DA CHI: (25 DA O4')-(25 DA C1')-(25 DA N9)-(25 DA C4) 170.0 310.0 &rst iat = 790, 791, 793, 806, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 25 DA CHI: (26 DA O4')-(26 DA C1')-(26 DA N9)-(26 DA C4) 170.0 310.0 &rst iat = 822, 823, 825, 838, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 26 DT CHI: (27 DT3 O4')-(27 DT3 C1')-(27 DT3 N1)-(27 DT3 C2) 170.0 310.0 &rst iat = 854, 855, 857, 869, r1 = 169.0, r2 = 170.0, r3 = 310.0, r4 = 311.0, / # 0 DT NU0: (1 DT5 C4')-(1 DT5 O4')-(1 DT5 C1')-(1 DT5 C2') -36.5 -6.5 &rst iat = 6, 8, 9, 27, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 0 DT NU1: (1 DT5 O4')-(1 DT5 C1')-(1 DT5 C2')-(1 DT5 C3') 19.8 49.8 &rst iat = 8, 9, 27, 25, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 0 DT NU2: (1 DT5 C1')-(1 DT5 C2')-(1 DT5 C3')-(1 DT5 C4') -49.8 -19.8 &rst iat = 9, 27, 25, 6, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 0 DT NU3: (1 DT5 C2')-(1 DT5 C3')-(1 DT5 C4')-(1 DT5 O4') 6.5 36.5 &rst iat = 27, 25, 6, 8, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 0 DT NU4: (1 DT5 C3')-(1 DT5 C4')-(1 DT5 O4')-(1 DT5 C1') -15.0 15.0 &rst iat = 25, 6, 8, 9, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 1 DT NU0: (2 DT C4')-(2 DT O4')-(2 DT C1')-(2 DT C2') -36.5 -6.5 &rst iat = 38, 40, 41, 59, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 1 DT NU1: (2 DT O4')-(2 DT C1')-(2 DT C2')-(2 DT C3') 19.8 49.8 &rst iat = 40, 41, 59, 57, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 1 DT NU2: (2 DT C1')-(2 DT C2')-(2 DT C3')-(2 DT C4') -49.8 -19.8 &rst iat = 41, 59, 57, 38, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 1 DT NU3: (2 DT C2')-(2 DT C3')-(2 DT C4')-(2 DT O4') 6.5 36.5 &rst iat = 59, 57, 38, 40, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 1 DT NU4: (2 DT C3')-(2 DT C4')-(2 DT O4')-(2 DT C1') -15.0 15.0 &rst iat = 57, 38, 40, 41, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 2 DG NU0: (3 DG C4')-(3 DG O4')-(3 DG C1')-(3 DG C2') -36.5 -6.5 &rst iat = 70, 72, 73, 92, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 2 DG NU1: (3 DG O4')-(3 DG C1')-(3 DG C2')-(3 DG C3') 19.8 49.8 &rst iat = 72, 73, 92, 90, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 2 DG NU2: (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') -49.8 -19.8 &rst iat = 73, 92, 90, 70, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 2 DG NU3: (3 DG C2')-(3 DG C3')-(3 DG C4')-(3 DG O4') 6.5 36.5 &rst iat = 92, 90, 70, 72, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 2 DG NU4: (3 DG C3')-(3 DG C4')-(3 DG O4')-(3 DG C1') -15.0 15.0 &rst iat = 90, 70, 72, 73, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 3 DG NU0: (4 DG C4')-(4 DG O4')-(4 DG C1')-(4 DG C2') -36.5 -6.5 &rst iat = 103, 105, 106, 125, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 3 DG NU1: (4 DG O4')-(4 DG C1')-(4 DG C2')-(4 DG C3') 19.8 49.8 &rst iat = 105, 106, 125, 123, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 3 DG NU2: (4 DG C1')-(4 DG C2')-(4 DG C3')-(4 DG C4') -49.8 -19.8 &rst iat = 106, 125, 123, 103, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 3 DG NU3: (4 DG C2')-(4 DG C3')-(4 DG C4')-(4 DG O4') 6.5 36.5 &rst iat = 125, 123, 103, 105, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 3 DG NU4: (4 DG C3')-(4 DG C4')-(4 DG O4')-(4 DG C1') -15.0 15.0 &rst iat = 123, 103, 105, 106, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 4 DG NU0: (5 DG C4')-(5 DG O4')-(5 DG C1')-(5 DG C2') -36.5 -6.5 &rst iat = 136, 138, 139, 158, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 4 DG NU1: (5 DG O4')-(5 DG C1')-(5 DG C2')-(5 DG C3') 19.8 49.8 &rst iat = 138, 139, 158, 156, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 4 DG NU2: (5 DG C1')-(5 DG C2')-(5 DG C3')-(5 DG C4') -49.8 -19.8 &rst iat = 139, 158, 156, 136, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 4 DG NU3: (5 DG C2')-(5 DG C3')-(5 DG C4')-(5 DG O4') 6.5 36.5 &rst iat = 158, 156, 136, 138, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 4 DG NU4: (5 DG C3')-(5 DG C4')-(5 DG O4')-(5 DG C1') -15.0 15.0 &rst iat = 156, 136, 138, 139, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 5 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, / # 5 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, / # 5 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, / # 5 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, / # 5 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: (8 DG C4')-(8 DG O4')-(8 DG C1')-(8 DG C2') -36.5 -6.5 &rst iat = 234, 236, 237, 256, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 7 DG NU1: (8 DG O4')-(8 DG C1')-(8 DG C2')-(8 DG C3') 19.8 49.8 &rst iat = 236, 237, 256, 254, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 7 DG NU2: (8 DG C1')-(8 DG C2')-(8 DG C3')-(8 DG C4') -49.8 -19.8 &rst iat = 237, 256, 254, 234, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 7 DG NU3: (8 DG C2')-(8 DG C3')-(8 DG C4')-(8 DG O4') 6.5 36.5 &rst iat = 256, 254, 234, 236, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 7 DG NU4: (8 DG C3')-(8 DG C4')-(8 DG O4')-(8 DG C1') -15.0 15.0 &rst iat = 254, 234, 236, 237, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 10 DT NU0: (11 DT C4')-(11 DT O4')-(11 DT C1')-(11 DT C2') -36.5 -6.5 &rst iat = 333, 335, 336, 354, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 10 DT NU1: (11 DT O4')-(11 DT C1')-(11 DT C2')-(11 DT C3') 19.8 49.8 &rst iat = 335, 336, 354, 352, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 10 DT NU2: (11 DT C1')-(11 DT C2')-(11 DT C3')-(11 DT C4') -49.8 -19.8 &rst iat = 336, 354, 352, 333, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 10 DT NU3: (11 DT C2')-(11 DT C3')-(11 DT C4')-(11 DT O4') 6.5 36.5 &rst iat = 354, 352, 333, 335, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 10 DT NU4: (11 DT C3')-(11 DT C4')-(11 DT O4')-(11 DT C1') -15.0 15.0 &rst iat = 352, 333, 335, 336, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 11 DT NU0: (12 DT C4')-(12 DT O4')-(12 DT C1')-(12 DT C2') -36.5 -6.5 &rst iat = 365, 367, 368, 386, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 11 DT NU1: (12 DT O4')-(12 DT C1')-(12 DT C2')-(12 DT C3') 19.8 49.8 &rst iat = 367, 368, 386, 384, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 11 DT NU2: (12 DT C1')-(12 DT C2')-(12 DT C3')-(12 DT C4') -49.8 -19.8 &rst iat = 368, 386, 384, 365, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 11 DT NU3: (12 DT C2')-(12 DT C3')-(12 DT C4')-(12 DT O4') 6.5 36.5 &rst iat = 386, 384, 365, 367, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 11 DT NU4: (12 DT C3')-(12 DT C4')-(12 DT O4')-(12 DT C1') -15.0 15.0 &rst iat = 384, 365, 367, 368, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 12 DT NU0: (13 DT C4')-(13 DT O4')-(13 DT C1')-(13 DT C2') -36.5 -6.5 &rst iat = 397, 399, 400, 418, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 12 DT NU1: (13 DT O4')-(13 DT C1')-(13 DT C2')-(13 DT C3') 19.8 49.8 &rst iat = 399, 400, 418, 416, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 12 DT NU2: (13 DT C1')-(13 DT C2')-(13 DT C3')-(13 DT C4') -49.8 -19.8 &rst iat = 400, 418, 416, 397, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 12 DT NU3: (13 DT C2')-(13 DT C3')-(13 DT C4')-(13 DT O4') 6.5 36.5 &rst iat = 418, 416, 397, 399, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 12 DT NU4: (13 DT C3')-(13 DT C4')-(13 DT O4')-(13 DT C1') -15.0 15.0 &rst iat = 416, 397, 399, 400, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 14 DA NU0: (15 DA C4')-(15 DA O4')-(15 DA C1')-(15 DA C2') -36.5 -6.5 &rst iat = 461, 463, 464, 482, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 14 DA NU1: (15 DA O4')-(15 DA C1')-(15 DA C2')-(15 DA C3') 19.8 49.8 &rst iat = 463, 464, 482, 480, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 14 DA NU2: (15 DA C1')-(15 DA C2')-(15 DA C3')-(15 DA C4') -49.8 -19.8 &rst iat = 464, 482, 480, 461, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 14 DA NU3: (15 DA C2')-(15 DA C3')-(15 DA C4')-(15 DA O4') 6.5 36.5 &rst iat = 482, 480, 461, 463, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 14 DA NU4: (15 DA C3')-(15 DA C4')-(15 DA O4')-(15 DA C1') -15.0 15.0 &rst iat = 480, 461, 463, 464, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 15 DA NU0: (16 DA C4')-(16 DA O4')-(16 DA C1')-(16 DA C2') -36.5 -6.5 &rst iat = 493, 495, 496, 514, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 15 DA NU1: (16 DA O4')-(16 DA C1')-(16 DA C2')-(16 DA C3') 19.8 49.8 &rst iat = 495, 496, 514, 512, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 15 DA NU2: (16 DA C1')-(16 DA C2')-(16 DA C3')-(16 DA C4') -49.8 -19.8 &rst iat = 496, 514, 512, 493, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 15 DA NU3: (16 DA C2')-(16 DA C3')-(16 DA C4')-(16 DA O4') 6.5 36.5 &rst iat = 514, 512, 493, 495, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 15 DA NU4: (16 DA C3')-(16 DA C4')-(16 DA O4')-(16 DA C1') -15.0 15.0 &rst iat = 512, 493, 495, 496, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 17 DG NU0: (18 DG C4')-(18 DG O4')-(18 DG C1')-(18 DG C2') -36.5 -6.5 &rst iat = 558, 560, 561, 580, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 17 DG NU1: (18 DG O4')-(18 DG C1')-(18 DG C2')-(18 DG C3') 19.8 49.8 &rst iat = 560, 561, 580, 578, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 17 DG NU2: (18 DG C1')-(18 DG C2')-(18 DG C3')-(18 DG C4') -49.8 -19.8 &rst iat = 561, 580, 578, 558, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 17 DG NU3: (18 DG C2')-(18 DG C3')-(18 DG C4')-(18 DG O4') 6.5 36.5 &rst iat = 580, 578, 558, 560, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 17 DG NU4: (18 DG C3')-(18 DG C4')-(18 DG O4')-(18 DG C1') -15.0 15.0 &rst iat = 578, 558, 560, 561, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 18 DG NU0: (19 DG C4')-(19 DG O4')-(19 DG C1')-(19 DG C2') -36.5 -6.5 &rst iat = 591, 593, 594, 613, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 18 DG NU1: (19 DG O4')-(19 DG C1')-(19 DG C2')-(19 DG C3') 19.8 49.8 &rst iat = 593, 594, 613, 611, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 18 DG NU2: (19 DG C1')-(19 DG C2')-(19 DG C3')-(19 DG C4') -49.8 -19.8 &rst iat = 594, 613, 611, 591, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 18 DG NU3: (19 DG C2')-(19 DG C3')-(19 DG C4')-(19 DG O4') 6.5 36.5 &rst iat = 613, 611, 591, 593, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 18 DG NU4: (19 DG C3')-(19 DG C4')-(19 DG O4')-(19 DG C1') -15.0 15.0 &rst iat = 611, 591, 593, 594, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 19 DT NU0: (20 DT C4')-(20 DT O4')-(20 DT C1')-(20 DT C2') -36.5 -6.5 &rst iat = 624, 626, 627, 645, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 19 DT NU1: (20 DT O4')-(20 DT C1')-(20 DT C2')-(20 DT C3') 19.8 49.8 &rst iat = 626, 627, 645, 643, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 19 DT NU2: (20 DT C1')-(20 DT C2')-(20 DT C3')-(20 DT C4') -49.8 -19.8 &rst iat = 627, 645, 643, 624, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 19 DT NU3: (20 DT C2')-(20 DT C3')-(20 DT C4')-(20 DT O4') 6.5 36.5 &rst iat = 645, 643, 624, 626, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 19 DT NU4: (20 DT C3')-(20 DT C4')-(20 DT O4')-(20 DT C1') -15.0 15.0 &rst iat = 643, 624, 626, 627, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 20 DG NU0: (21 DG C4')-(21 DG O4')-(21 DG C1')-(21 DG C2') -36.5 -6.5 &rst iat = 656, 658, 659, 678, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 20 DG NU1: (21 DG O4')-(21 DG C1')-(21 DG C2')-(21 DG C3') 19.8 49.8 &rst iat = 658, 659, 678, 676, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 20 DG NU2: (21 DG C1')-(21 DG C2')-(21 DG C3')-(21 DG C4') -49.8 -19.8 &rst iat = 659, 678, 676, 656, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 20 DG NU3: (21 DG C2')-(21 DG C3')-(21 DG C4')-(21 DG O4') 6.5 36.5 &rst iat = 678, 676, 656, 658, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 20 DG NU4: (21 DG C3')-(21 DG C4')-(21 DG O4')-(21 DG C1') -15.0 15.0 &rst iat = 676, 656, 658, 659, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 21 DG NU0: (22 DG C4')-(22 DG O4')-(22 DG C1')-(22 DG C2') -36.5 -6.5 &rst iat = 689, 691, 692, 711, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 21 DG NU1: (22 DG O4')-(22 DG C1')-(22 DG C2')-(22 DG C3') 19.8 49.8 &rst iat = 691, 692, 711, 709, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 21 DG NU2: (22 DG C1')-(22 DG C2')-(22 DG C3')-(22 DG C4') -49.8 -19.8 &rst iat = 692, 711, 709, 689, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 21 DG NU3: (22 DG C2')-(22 DG C3')-(22 DG C4')-(22 DG O4') 6.5 36.5 &rst iat = 711, 709, 689, 691, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 21 DG NU4: (22 DG C3')-(22 DG C4')-(22 DG O4')-(22 DG C1') -15.0 15.0 &rst iat = 709, 689, 691, 692, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 22 DG NU0: (23 DG C4')-(23 DG O4')-(23 DG C1')-(23 DG C2') -36.5 -6.5 &rst iat = 722, 724, 725, 744, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 22 DG NU1: (23 DG O4')-(23 DG C1')-(23 DG C2')-(23 DG C3') 19.8 49.8 &rst iat = 724, 725, 744, 742, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 22 DG NU2: (23 DG C1')-(23 DG C2')-(23 DG C3')-(23 DG C4') -49.8 -19.8 &rst iat = 725, 744, 742, 722, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 22 DG NU3: (23 DG C2')-(23 DG C3')-(23 DG C4')-(23 DG O4') 6.5 36.5 &rst iat = 744, 742, 722, 724, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 22 DG NU4: (23 DG C3')-(23 DG C4')-(23 DG O4')-(23 DG C1') -15.0 15.0 &rst iat = 742, 722, 724, 725, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 25 DA NU0: (26 DA C4')-(26 DA O4')-(26 DA C1')-(26 DA C2') -36.5 -6.5 &rst iat = 820, 822, 823, 841, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 25 DA NU1: (26 DA O4')-(26 DA C1')-(26 DA C2')-(26 DA C3') 19.8 49.8 &rst iat = 822, 823, 841, 839, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 25 DA NU2: (26 DA C1')-(26 DA C2')-(26 DA C3')-(26 DA C4') -49.8 -19.8 &rst iat = 823, 841, 839, 820, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 25 DA NU3: (26 DA C2')-(26 DA C3')-(26 DA C4')-(26 DA O4') 6.5 36.5 &rst iat = 841, 839, 820, 822, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 25 DA NU4: (26 DA C3')-(26 DA C4')-(26 DA O4')-(26 DA C1') -15.0 15.0 &rst iat = 839, 820, 822, 823, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, /
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