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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543562 |
2lho   |
17859 | cing | 1-original | 2 | AMBER | dihedral angle |
# 771 atoms read from pdb file smbp_01.pdb. # 1 CYT NU0: (1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2') -43.3 -13.3 &rst iat = 6, 8, 9, 25, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, rk2 = 15.0, rk3 = 15.0, &end # 1 CYT NU1: (1 DC5 O4')-(1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3') 20.2 50.2 &rst iat = 8, 9, 25, 23, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 1 CYT NU2: (1 DC5 C1')-(1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4') -40.5 -10.5 &rst iat = 9, 25, 23, 6, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 1 CYT NU3: (1 DC5 C2')-(1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4') -10.6 26.7 &rst iat = 25, 23, 6, 8, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 1 CYT NU4: (1 DC5 C3')-(1 DC5 C4')-(1 DC5 O4')-(1 DC5 C1') -5.3 30.3 &rst iat = 23, 6, 8, 9, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 2 GUA NU0: (2 DG C4')-(2 DG O4')-(2 DG C1')-(2 DG C2') -43.3 -13.3 &rst iat = 36, 38, 39, 58, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 2 GUA NU1: (2 DG O4')-(2 DG C1')-(2 DG C2')-(2 DG C3') 20.2 50.2 &rst iat = 38, 39, 58, 56, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 2 GUA NU2: (2 DG C1')-(2 DG C2')-(2 DG C3')-(2 DG C4') -40.5 -10.5 &rst iat = 39, 58, 56, 36, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 2 GUA NU3: (2 DG C2')-(2 DG C3')-(2 DG C4')-(2 DG O4') -10.6 26.7 &rst iat = 58, 56, 36, 38, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 2 GUA NU4: (2 DG C3')-(2 DG C4')-(2 DG O4')-(2 DG C1') -5.3 30.3 &rst iat = 56, 36, 38, 39, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 3 THY NU0: (3 DT C4')-(3 DT O4')-(3 DT C1')-(3 DT C2') -43.3 -13.3 &rst iat = 69, 71, 72, 90, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 3 THY NU1: (3 DT O4')-(3 DT C1')-(3 DT C2')-(3 DT C3') 20.2 50.2 &rst iat = 71, 72, 90, 88, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 3 THY NU2: (3 DT C1')-(3 DT C2')-(3 DT C3')-(3 DT C4') -40.5 -10.5 &rst iat = 72, 90, 88, 69, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 3 THY NU3: (3 DT C2')-(3 DT C3')-(3 DT C4')-(3 DT O4') -10.6 26.7 &rst iat = 90, 88, 69, 71, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 3 THY NU4: (3 DT C3')-(3 DT C4')-(3 DT O4')-(3 DT C1') -5.3 30.3 &rst iat = 88, 69, 71, 72, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 4 THY NU0: (4 DT C4')-(4 DT O4')-(4 DT C1')-(4 DT C2') -43.3 -13.3 &rst iat = 101, 103, 104, 122, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 4 THY NU1: (4 DT O4')-(4 DT C1')-(4 DT C2')-(4 DT C3') 20.2 50.2 &rst iat = 103, 104, 122, 120, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 4 THY NU2: (4 DT C1')-(4 DT C2')-(4 DT C3')-(4 DT C4') -40.5 -10.5 &rst iat = 104, 122, 120, 101, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 4 THY NU3: (4 DT C2')-(4 DT C3')-(4 DT C4')-(4 DT O4') -10.6 26.7 &rst iat = 122, 120, 101, 103, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 4 THY NU4: (4 DT C3')-(4 DT C4')-(4 DT O4')-(4 DT C1') -5.3 30.3 &rst iat = 120, 101, 103, 104, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 5 THY NU0: (5 DT C4')-(5 DT O4')-(5 DT C1')-(5 DT C2') -43.3 -13.3 &rst iat = 133, 135, 136, 154, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 5 THY NU1: (5 DT O4')-(5 DT C1')-(5 DT C2')-(5 DT C3') 20.2 50.2 &rst iat = 135, 136, 154, 152, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 5 THY NU2: (5 DT C1')-(5 DT C2')-(5 DT C3')-(5 DT C4') -40.5 -10.5 &rst iat = 136, 154, 152, 133, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 5 THY NU3: (5 DT C2')-(5 DT C3')-(5 DT C4')-(5 DT O4') -10.6 26.7 &rst iat = 154, 152, 133, 135, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 5 THY NU4: (5 DT C3')-(5 DT C4')-(5 DT O4')-(5 DT C1') -5.3 30.3 &rst iat = 152, 133, 135, 136, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 6 CYT NU0: (6 DC C4')-(6 DC O4')-(6 DC C1')-(6 DC C2') -43.3 -13.3 &rst iat = 165, 167, 168, 184, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 6 CYT NU1: (6 DC O4')-(6 DC C1')-(6 DC C2')-(6 DC C3') 20.2 50.2 &rst iat = 167, 168, 184, 182, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 6 CYT NU2: (6 DC C1')-(6 DC C2')-(6 DC C3')-(6 DC C4') -40.5 -10.5 &rst iat = 168, 184, 182, 165, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 6 CYT NU3: (6 DC C2')-(6 DC C3')-(6 DC C4')-(6 DC O4') -10.6 26.7 &rst iat = 184, 182, 165, 167, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 6 CYT NU4: (6 DC C3')-(6 DC C4')-(6 DC O4')-(6 DC C1') -5.3 30.3 &rst iat = 182, 165, 167, 168, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 8 THY NU0: (8 DT C4')-(8 DT O4')-(8 DT C1')-(8 DT C2') -43.3 -13.3 &rst iat = 233, 235, 236, 254, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 8 THY NU1: (8 DT O4')-(8 DT C1')-(8 DT C2')-(8 DT C3') 20.2 50.2 &rst iat = 235, 236, 254, 252, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 8 THY NU2: (8 DT C1')-(8 DT C2')-(8 DT C3')-(8 DT C4') -40.5 -10.5 &rst iat = 236, 254, 252, 233, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 8 THY NU3: (8 DT C2')-(8 DT C3')-(8 DT C4')-(8 DT O4') -10.6 26.7 &rst iat = 254, 252, 233, 235, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 8 THY NU4: (8 DT C3')-(8 DT C4')-(8 DT O4')-(8 DT C1') -5.3 30.3 &rst iat = 252, 233, 235, 236, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 9 THY NU0: (9 DT C4')-(9 DT O4')-(9 DT C1')-(9 DT C2') -43.3 -13.3 &rst iat = 265, 267, 268, 286, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 9 THY NU1: (9 DT O4')-(9 DT C1')-(9 DT C2')-(9 DT C3') 20.2 50.2 &rst iat = 267, 268, 286, 284, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 9 THY NU2: (9 DT C1')-(9 DT C2')-(9 DT C3')-(9 DT C4') -40.5 -10.5 &rst iat = 268, 286, 284, 265, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 9 THY NU3: (9 DT C2')-(9 DT C3')-(9 DT C4')-(9 DT O4') -10.6 26.7 &rst iat = 286, 284, 265, 267, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 9 THY NU4: (9 DT C3')-(9 DT C4')-(9 DT O4')-(9 DT C1') -5.3 30.3 &rst iat = 284, 265, 267, 268, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 10 CYT NU0: (10 DC C4')-(10 DC O4')-(10 DC C1')-(10 DC C2') -43.3 -13.3 &rst iat = 297, 299, 300, 316, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 10 CYT NU1: (10 DC O4')-(10 DC C1')-(10 DC C2')-(10 DC C3') 20.2 50.2 &rst iat = 299, 300, 316, 314, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 10 CYT NU2: (10 DC C1')-(10 DC C2')-(10 DC C3')-(10 DC C4') -40.5 -10.5 &rst iat = 300, 316, 314, 297, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 10 CYT NU3: (10 DC C2')-(10 DC C3')-(10 DC C4')-(10 DC O4') -10.6 26.7 &rst iat = 316, 314, 297, 299, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 10 CYT NU4: (10 DC C3')-(10 DC C4')-(10 DC O4')-(10 DC C1') -5.3 30.3 &rst iat = 314, 297, 299, 300, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 11 THY NU0: (11 DT C4')-(11 DT O4')-(11 DT C1')-(11 DT C2') -43.3 -13.3 &rst iat = 327, 329, 330, 348, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 11 THY NU1: (11 DT O4')-(11 DT C1')-(11 DT C2')-(11 DT C3') 20.2 50.2 &rst iat = 329, 330, 348, 346, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 11 THY NU2: (11 DT C1')-(11 DT C2')-(11 DT C3')-(11 DT C4') -40.5 -10.5 &rst iat = 330, 348, 346, 327, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 11 THY NU3: (11 DT C2')-(11 DT C3')-(11 DT C4')-(11 DT O4') -10.6 26.7 &rst iat = 348, 346, 327, 329, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 11 THY NU4: (11 DT C3')-(11 DT C4')-(11 DT O4')-(11 DT C1') -5.3 30.3 &rst iat = 346, 327, 329, 330, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 12 CYT NU0: (12 DC3 C4')-(12 DC3 O4')-(12 DC3 C1')-(12 DC3 C2') -43.3 -13.3 &rst iat = 359, 361, 362, 378, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 12 CYT NU1: (12 DC3 O4')-(12 DC3 C1')-(12 DC3 C2')-(12 DC3 C3') 20.2 50.2 &rst iat = 361, 362, 378, 376, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 12 CYT NU2: (12 DC3 C1')-(12 DC3 C2')-(12 DC3 C3')-(12 DC3 C4') -40.5 -10.5 &rst iat = 362, 378, 376, 359, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 12 CYT NU3: (12 DC3 C2')-(12 DC3 C3')-(12 DC3 C4')-(12 DC3 O4') -10.6 26.7 &rst iat = 378, 376, 359, 361, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 12 CYT NU4: (12 DC3 C3')-(12 DC3 C4')-(12 DC3 O4')-(12 DC3 C1') -5.3 30.3 &rst iat = 376, 359, 361, 362, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 13 GUA NU0: (13 DG5 C4')-(13 DG5 O4')-(13 DG5 C1')-(13 DG5 C2') -43.3 -13.3 &rst iat = 388, 390, 391, 410, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 13 GUA NU1: (13 DG5 O4')-(13 DG5 C1')-(13 DG5 C2')-(13 DG5 C3') 20.2 50.2 &rst iat = 390, 391, 410, 408, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 13 GUA NU2: (13 DG5 C1')-(13 DG5 C2')-(13 DG5 C3')-(13 DG5 C4') -40.5 -10.5 &rst iat = 391, 410, 408, 388, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 13 GUA NU3: (13 DG5 C2')-(13 DG5 C3')-(13 DG5 C4')-(13 DG5 O4') -10.6 26.7 &rst iat = 410, 408, 388, 390, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 13 GUA NU4: (13 DG5 C3')-(13 DG5 C4')-(13 DG5 O4')-(13 DG5 C1') -5.3 30.3 &rst iat = 408, 388, 390, 391, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 14 ADE NU0: (14 DA C4')-(14 DA O4')-(14 DA C1')-(14 DA C2') -43.3 -13.3 &rst iat = 421, 423, 424, 442, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 14 ADE NU1: (14 DA O4')-(14 DA C1')-(14 DA C2')-(14 DA C3') 20.2 50.2 &rst iat = 423, 424, 442, 440, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 14 ADE NU2: (14 DA C1')-(14 DA C2')-(14 DA C3')-(14 DA C4') -40.5 -10.5 &rst iat = 424, 442, 440, 421, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 14 ADE NU3: (14 DA C2')-(14 DA C3')-(14 DA C4')-(14 DA O4') -10.6 26.7 &rst iat = 442, 440, 421, 423, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 14 ADE NU4: (14 DA C3')-(14 DA C4')-(14 DA O4')-(14 DA C1') -5.3 30.3 &rst iat = 440, 421, 423, 424, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 15 GUA NU0: (15 DG C4')-(15 DG O4')-(15 DG C1')-(15 DG C2') -43.3 -13.3 &rst iat = 453, 455, 456, 475, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 15 GUA NU1: (15 DG O4')-(15 DG C1')-(15 DG C2')-(15 DG C3') 20.2 50.2 &rst iat = 455, 456, 475, 473, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 15 GUA NU2: (15 DG C1')-(15 DG C2')-(15 DG C3')-(15 DG C4') -40.5 -10.5 &rst iat = 456, 475, 473, 453, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 15 GUA NU3: (15 DG C2')-(15 DG C3')-(15 DG C4')-(15 DG O4') -10.6 26.7 &rst iat = 475, 473, 453, 455, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 15 GUA NU4: (15 DG C3')-(15 DG C4')-(15 DG O4')-(15 DG C1') -5.3 30.3 &rst iat = 473, 453, 455, 456, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 16 ADE NU0: (16 DA C4')-(16 DA O4')-(16 DA C1')-(16 DA C2') -43.3 -13.3 &rst iat = 486, 488, 489, 507, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 16 ADE NU1: (16 DA O4')-(16 DA C1')-(16 DA C2')-(16 DA C3') 20.2 50.2 &rst iat = 488, 489, 507, 505, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 16 ADE NU2: (16 DA C1')-(16 DA C2')-(16 DA C3')-(16 DA C4') -40.5 -10.5 &rst iat = 489, 507, 505, 486, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 16 ADE NU3: (16 DA C2')-(16 DA C3')-(16 DA C4')-(16 DA O4') -10.6 26.7 &rst iat = 507, 505, 486, 488, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 16 ADE NU4: (16 DA C3')-(16 DA C4')-(16 DA O4')-(16 DA C1') -5.3 30.3 &rst iat = 505, 486, 488, 489, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 17 ADE NU0: (17 DA C4')-(17 DA O4')-(17 DA C1')-(17 DA C2') -43.3 -13.3 &rst iat = 518, 520, 521, 539, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 17 ADE NU1: (17 DA O4')-(17 DA C1')-(17 DA C2')-(17 DA C3') 20.2 50.2 &rst iat = 520, 521, 539, 537, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 17 ADE NU2: (17 DA C1')-(17 DA C2')-(17 DA C3')-(17 DA C4') -40.5 -10.5 &rst iat = 521, 539, 537, 518, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 17 ADE NU3: (17 DA C2')-(17 DA C3')-(17 DA C4')-(17 DA O4') -10.6 26.7 &rst iat = 539, 537, 518, 520, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 17 ADE NU4: (17 DA C3')-(17 DA C4')-(17 DA O4')-(17 DA C1') -5.3 30.3 &rst iat = 537, 518, 520, 521, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 19 GUA NU0: (19 DG C4')-(19 DG O4')-(19 DG C1')-(19 DG C2') -43.3 -13.3 &rst iat = 586, 588, 589, 608, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 19 GUA NU1: (19 DG O4')-(19 DG C1')-(19 DG C2')-(19 DG C3') 20.2 50.2 &rst iat = 588, 589, 608, 606, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 19 GUA NU2: (19 DG C1')-(19 DG C2')-(19 DG C3')-(19 DG C4') -40.5 -10.5 &rst iat = 589, 608, 606, 586, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 19 GUA NU3: (19 DG C2')-(19 DG C3')-(19 DG C4')-(19 DG O4') -10.6 26.7 &rst iat = 608, 606, 586, 588, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 19 GUA NU4: (19 DG C3')-(19 DG C4')-(19 DG O4')-(19 DG C1') -5.3 30.3 &rst iat = 606, 586, 588, 589, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 20 ADE NU0: (20 DA C4')-(20 DA O4')-(20 DA C1')-(20 DA C2') -43.3 -13.3 &rst iat = 619, 621, 622, 640, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 20 ADE NU1: (20 DA O4')-(20 DA C1')-(20 DA C2')-(20 DA C3') 20.2 50.2 &rst iat = 621, 622, 640, 638, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 20 ADE NU2: (20 DA C1')-(20 DA C2')-(20 DA C3')-(20 DA C4') -40.5 -10.5 &rst iat = 622, 640, 638, 619, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 20 ADE NU3: (20 DA C2')-(20 DA C3')-(20 DA C4')-(20 DA O4') -10.6 26.7 &rst iat = 640, 638, 619, 621, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 20 ADE NU4: (20 DA C3')-(20 DA C4')-(20 DA O4')-(20 DA C1') -5.3 30.3 &rst iat = 638, 619, 621, 622, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 21 ADE NU0: (21 DA C4')-(21 DA O4')-(21 DA C1')-(21 DA C2') -43.3 -13.3 &rst iat = 651, 653, 654, 672, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 21 ADE NU1: (21 DA O4')-(21 DA C1')-(21 DA C2')-(21 DA C3') 20.2 50.2 &rst iat = 653, 654, 672, 670, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 21 ADE NU2: (21 DA C1')-(21 DA C2')-(21 DA C3')-(21 DA C4') -40.5 -10.5 &rst iat = 654, 672, 670, 651, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 21 ADE NU3: (21 DA C2')-(21 DA C3')-(21 DA C4')-(21 DA O4') -10.6 26.7 &rst iat = 672, 670, 651, 653, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 21 ADE NU4: (21 DA C3')-(21 DA C4')-(21 DA O4')-(21 DA C1') -5.3 30.3 &rst iat = 670, 651, 653, 654, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 22 ADE NU0: (22 DA C4')-(22 DA O4')-(22 DA C1')-(22 DA C2') -43.3 -13.3 &rst iat = 683, 685, 686, 704, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 22 ADE NU1: (22 DA O4')-(22 DA C1')-(22 DA C2')-(22 DA C3') 20.2 50.2 &rst iat = 685, 686, 704, 702, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 22 ADE NU2: (22 DA C1')-(22 DA C2')-(22 DA C3')-(22 DA C4') -40.5 -10.5 &rst iat = 686, 704, 702, 683, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 22 ADE NU3: (22 DA C2')-(22 DA C3')-(22 DA C4')-(22 DA O4') -10.6 26.7 &rst iat = 704, 702, 683, 685, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 22 ADE NU4: (22 DA C3')-(22 DA C4')-(22 DA O4')-(22 DA C1') -5.3 30.3 &rst iat = 702, 683, 685, 686, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 23 CYT NU0: (23 DC C4')-(23 DC O4')-(23 DC C1')-(23 DC C2') -43.3 -13.3 &rst iat = 715, 717, 718, 734, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 23 CYT NU1: (23 DC O4')-(23 DC C1')-(23 DC C2')-(23 DC C3') 20.2 50.2 &rst iat = 717, 718, 734, 732, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 23 CYT NU2: (23 DC C1')-(23 DC C2')-(23 DC C3')-(23 DC C4') -40.5 -10.5 &rst iat = 718, 734, 732, 715, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 23 CYT NU3: (23 DC C2')-(23 DC C3')-(23 DC C4')-(23 DC O4') -10.6 26.7 &rst iat = 734, 732, 715, 717, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 23 CYT NU4: (23 DC C3')-(23 DC C4')-(23 DC O4')-(23 DC C1') -5.3 30.3 &rst iat = 732, 715, 717, 718, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 24 GUA NU0: (24 DG3 C4')-(24 DG3 O4')-(24 DG3 C1')-(24 DG3 C2') -43.3 -13.3 &rst iat = 745, 747, 748, 767, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 24 GUA NU1: (24 DG3 O4')-(24 DG3 C1')-(24 DG3 C2')-(24 DG3 C3') 20.2 50.2 &rst iat = 747, 748, 767, 765, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 24 GUA NU2: (24 DG3 C1')-(24 DG3 C2')-(24 DG3 C3')-(24 DG3 C4') -40.5 -10.5 &rst iat = 748, 767, 765, 745, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 24 GUA NU3: (24 DG3 C2')-(24 DG3 C3')-(24 DG3 C4')-(24 DG3 O4') -10.6 26.7 &rst iat = 767, 765, 745, 747, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 24 GUA NU4: (24 DG3 C3')-(24 DG3 C4')-(24 DG3 O4')-(24 DG3 C1') -5.3 30.3 &rst iat = 765, 745, 747, 748, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end # 24 GUA NU0: (24 DG3 C4')-(24 DG3 O4')-(24 DG3 C1')-(24 DG3 C2') -43.3 -13.3 &rst iat = 745, 747, 748, 767, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, &end # 24 GUA NU1: (24 DG3 O4')-(24 DG3 C1')-(24 DG3 C2')-(24 DG3 C3') 20.2 50.2 &rst iat = 747, 748, 767, 765, r1 = 19.2, r2 = 20.2, r3 = 50.2, r4 = 51.2, &end # 24 GUA NU2: (24 DG3 C1')-(24 DG3 C2')-(24 DG3 C3')-(24 DG3 C4') -40.5 -10.5 &rst iat = 748, 767, 765, 745, r1 = -41.5, r2 = -40.5, r3 = -10.5, r4 = -9.5, &end # 24 GUA NU3: (24 DG3 C2')-(24 DG3 C3')-(24 DG3 C4')-(24 DG3 O4') -10.6 26.7 &rst iat = 767, 765, 745, 747, r1 = -11.6, r2 = -10.6, r3 = 26.7, r4 = 27.7, &end # 24 GUA NU4: (24 DG3 C3')-(24 DG3 C4')-(24 DG3 O4')-(24 DG3 C1') -5.3 30.3 &rst iat = 765, 745, 747, 748, r1 = -6.3, r2 = -5.3, r3 = 30.3, r4 = 31.3, &end
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