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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631440 |
6ffr   |
34228 | cing | 1-original | 1 | AMBER | dihedral angle |
# Restraints file 1: PPA.sugar # 1 G NU0: (1 G5 C4')-(1 G5 O4')-(1 G5 C1')-(1 G5 C2') -15.0 15.0 &rst iat = 6, 8, 9, 28, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 1 G NU1: (1 G5 O4')-(1 G5 C1')-(1 G5 C2')-(1 G5 C3') -36.5 -6.5 &rst iat = 8, 9, 28, 26, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 1 G NU2: (1 G5 C1')-(1 G5 C2')-(1 G5 C3')-(1 G5 C4') 19.8 49.8 &rst iat = 9, 28, 26, 6, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 1 G NU3: (1 G5 C2')-(1 G5 C3')-(1 G5 C4')-(1 G5 O4') -49.8 -19.8 &rst iat = 28, 26, 6, 8, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 1 G NU4: (1 G5 C3')-(1 G5 C4')-(1 G5 O4')-(1 G5 C1') 6.5 36.5 &rst iat = 26, 6, 8, 9, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 2 DG NU0: (2 DG C4')-(2 DG O4')-(2 DG C1')-(2 DG C2') -36.5 -6.5 &rst iat = 40, 42, 43, 62, 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 = 42, 43, 62, 60, 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 = 43, 62, 60, 40, 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 = 62, 60, 40, 42, 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 = 60, 40, 42, 43, 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 = 73, 75, 76, 95, 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 = 75, 76, 95, 93, 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 = 76, 95, 93, 73, 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 = 95, 93, 73, 75, 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 = 93, 73, 75, 76, 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 = 106, 108, 109, 127, 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 = 108, 109, 127, 125, 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 = 109, 127, 125, 106, 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 = 127, 125, 106, 108, 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 = 125, 106, 108, 109, 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 = 138, 140, 141, 159, 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 = 140, 141, 159, 157, 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 = 141, 159, 157, 138, 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 = 159, 157, 138, 140, 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 = 157, 138, 140, 141, 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 = 170, 172, 173, 192, 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 = 172, 173, 192, 190, 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 = 173, 192, 190, 170, 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 = 192, 190, 170, 172, 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 = 190, 170, 172, 173, 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 = 203, 205, 206, 225, 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 = 205, 206, 225, 223, 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 = 206, 225, 223, 203, 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 = 225, 223, 203, 205, 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 = 223, 203, 205, 206, 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 = 236, 238, 239, 258, 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 = 238, 239, 258, 256, 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 = 239, 258, 256, 236, 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 = 258, 256, 236, 238, 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 = 256, 236, 238, 239, 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 = 269, 271, 272, 290, 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 = 271, 272, 290, 288, 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 = 272, 290, 288, 269, 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 = 290, 288, 269, 271, 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 = 288, 269, 271, 272, 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 = 301, 303, 304, 320, 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 = 303, 304, 320, 318, 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 = 304, 320, 318, 301, 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 = 320, 318, 301, 303, 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 = 318, 301, 303, 304, 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 = 331, 333, 334, 352, 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 = 333, 334, 352, 350, 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 = 334, 352, 350, 331, 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 = 352, 350, 331, 333, 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 = 350, 331, 333, 334, 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 = 393, 395, 396, 414, 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 = 395, 396, 414, 412, 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 = 396, 414, 412, 393, 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 = 414, 412, 393, 395, 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 = 412, 393, 395, 396, 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 = 425, 427, 428, 447, 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 = 427, 428, 447, 445, 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 = 428, 447, 445, 425, 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 = 447, 445, 425, 427, 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 = 445, 425, 427, 428, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 15 DG NU0: (15 DG C4')-(15 DG O4')-(15 DG C1')-(15 DG C2') -36.5 -6.5 &rst iat = 458, 460, 461, 480, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 15 DG NU1: (15 DG O4')-(15 DG C1')-(15 DG C2')-(15 DG C3') 19.8 49.8 &rst iat = 460, 461, 480, 478, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 15 DG NU2: (15 DG C1')-(15 DG C2')-(15 DG C3')-(15 DG C4') -49.8 -19.8 &rst iat = 461, 480, 478, 458, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 15 DG NU3: (15 DG C2')-(15 DG C3')-(15 DG C4')-(15 DG O4') 6.5 36.5 &rst iat = 480, 478, 458, 460, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 15 DG NU4: (15 DG C3')-(15 DG C4')-(15 DG O4')-(15 DG C1') -15.0 15.0 &rst iat = 478, 458, 460, 461, 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 = 491, 493, 494, 513, 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 = 493, 494, 513, 511, 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 = 494, 513, 511, 491, 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 = 513, 511, 491, 493, 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 = 511, 491, 493, 494, 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 = 557, 559, 560, 578, 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 = 559, 560, 578, 576, 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 = 560, 578, 576, 557, 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 = 578, 576, 557, 559, 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 = 576, 557, 559, 560, 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 = 589, 591, 592, 608, 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 = 591, 592, 608, 606, 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 = 592, 608, 606, 589, 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 = 608, 606, 589, 591, 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 = 606, 589, 591, 592, r1 = -16.0, r2 = -15.0, r3 = 15.0, r4 = 16.0, / # 20 G NU0: (20 G C4')-(20 G O4')-(20 G C1')-(20 G C2') -36.5 -6.5 &rst iat = 619, 621, 622, 641, r1 = -37.5, r2 = -36.5, r3 = -6.5, r4 = -5.5, / # 20 G NU1: (20 G O4')-(20 G C1')-(20 G C2')-(20 G C3') 19.8 49.8 &rst iat = 621, 622, 641, 639, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, / # 20 G NU2: (20 G C1')-(20 G C2')-(20 G C3')-(20 G C4') -49.8 -19.8 &rst iat = 622, 641, 639, 619, r1 = -50.8, r2 = -49.8, r3 = -19.8, r4 = -18.8, / # 20 G NU3: (20 G C2')-(20 G C3')-(20 G C4')-(20 G O4') 6.5 36.5 &rst iat = 641, 639, 619, 621, r1 = 5.5, r2 = 6.5, r3 = 36.5, r4 = 37.5, / # 20 G NU4: (20 G C3')-(20 G C4')-(20 G O4')-(20 G C1') -15.0 15.0 &rst iat = 639, 619, 621, 622, 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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