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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607660 |
2n5p   |
25724 | cing | 1-original | 7 | AMBER | dihedral angle |
# SUGAR RESTRAINTS # 1 ADE PPA 135.0 180.0 # 2 THY PPA 135.0 180.0 # 3 GUA PPA 135.0 180.0 # 4 GUA PPA 135.0 180.0 # 5 ADE PPA 135.0 180.0 # 6 GUA PPA 135.0 180.0 # 7 CYT PPA 135.0 180.0 # 8 THY PPA 135.0 180.0 # 9 CYT PPA 135.0 180.0 #10 GUA PPA 135.0 180.0 #11 ADE PPA 135.0 180.0 #12 GUA PPA 135.0 180.0 #13 CYT PPA 135.0 180.0 #14 THY PPA 135.0 180.0 #15 CYT PPA 135.0 180.0 #16 CYT PPA 135.0 180.0 #17 ADE PPA 135.0 180.0 #18 THY PPA 135.0 180.0 # 1 ADE NU0: (1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2') -38.1 -8.1 &rst iat = 6, 8, 9, 27, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 1 ADE NU1: (1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3') 19.8 49.8 &rst iat = 8, 9, 27, 25, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, rk2 = 50.5, rk3 = 50.5, &end # 1 ADE NU2: (1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4') -47.9 -17.9 &rst iat = 9, 27, 25, 6, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 1 ADE NU3: (1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4') 3.6 33.6 &rst iat = 27, 25, 6, 8, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 1 ADE NU4: (1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1') -12.2 17.8 &rst iat = 25, 6, 8, 9, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 2 THY NU0: (2 DT C4')-(2 DT O4')-(2 DT C1')-(2 DT C2') -38.1 -8.1 &rst iat = 38, 40, 41, 59, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 2 THY 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, rk2 = 50.5, rk3 = 50.5, &end # 2 THY NU2: (2 DT C1')-(2 DT C2')-(2 DT C3')-(2 DT C4') -47.9 -17.9 &rst iat = 41, 59, 57, 38, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 2 THY NU3: (2 DT C2')-(2 DT C3')-(2 DT C4')-(2 DT O4') 3.6 33.6 &rst iat = 59, 57, 38, 40, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 2 THY NU4: (2 DT C3')-(2 DT C4')-(2 DT O4')-(2 DT C1') -12.2 17.8 &rst iat = 57, 38, 40, 41, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 3 GUA NU0: (3 DG C4')-(3 DG O4')-(3 DG C1')-(3 DG C2') -38.1 -8.1 &rst iat = 70, 72, 73, 92, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 3 GUA 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, rk2 = 50.5, rk3 = 50.5, &end # 3 GUA NU2: (3 DG C1')-(3 DG C2')-(3 DG C3')-(3 DG C4') -47.9 -17.9 &rst iat = 73, 92, 90, 70, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 3 GUA NU3: (3 DG C2')-(3 DG C3')-(3 DG C4')-(3 DG O4') 3.6 33.6 &rst iat = 92, 90, 70, 72, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 3 GUA NU4: (3 DG C3')-(3 DG C4')-(3 DG O4')-(3 DG C1') -12.2 17.8 &rst iat = 90, 70, 72, 73, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 4 GUA NU0: (4 DG C4')-(4 DG O4')-(4 DG C1')-(4 DG C2') -38.1 -8.1 &rst iat = 103, 105, 106, 125, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 4 GUA 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, rk2 = 50.5, rk3 = 50.5, &end # 4 GUA NU2: (4 DG C1')-(4 DG C2')-(4 DG C3')-(4 DG C4') -47.9 -17.9 &rst iat = 106, 125, 123, 103, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 4 GUA NU3: (4 DG C2')-(4 DG C3')-(4 DG C4')-(4 DG O4') 3.6 33.6 &rst iat = 125, 123, 103, 105, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 4 GUA NU4: (4 DG C3')-(4 DG C4')-(4 DG O4')-(4 DG C1') -12.2 17.8 &rst iat = 123, 103, 105, 106, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 5 ADE NU0: (5 DA C4')-(5 DA O4')-(5 DA C1')-(5 DA C2') -38.1 -8.1 &rst iat = 136, 138, 139, 157, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 5 ADE NU1: (5 DA O4')-(5 DA C1')-(5 DA C2')-(5 DA C3') 19.8 49.8 &rst iat = 138, 139, 157, 155, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, rk2 = 50.5, rk3 = 50.5, &end # 5 ADE NU2: (5 DA C1')-(5 DA C2')-(5 DA C3')-(5 DA C4') -47.9 -17.9 &rst iat = 139, 157, 155, 136, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 5 ADE NU3: (5 DA C2')-(5 DA C3')-(5 DA C4')-(5 DA O4') 3.6 33.6 &rst iat = 157, 155, 136, 138, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 5 ADE NU4: (5 DA C3')-(5 DA C4')-(5 DA O4')-(5 DA C1') -12.2 17.8 &rst iat = 155, 136, 138, 139, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 6 GUA NU0: (6 DG C4')-(6 DG O4')-(6 DG C1')-(6 DG C2') -38.1 -8.1 &rst iat = 168, 170, 171, 190, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 6 GUA NU1: (6 DG O4')-(6 DG C1')-(6 DG C2')-(6 DG C3') 19.8 49.8 &rst iat = 170, 171, 190, 188, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, rk2 = 50.5, rk3 = 50.5, &end # 6 GUA NU2: (6 DG C1')-(6 DG C2')-(6 DG C3')-(6 DG C4') -47.9 -17.9 &rst iat = 171, 190, 188, 168, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 6 GUA NU3: (6 DG C2')-(6 DG C3')-(6 DG C4')-(6 DG O4') 3.6 33.6 &rst iat = 190, 188, 168, 170, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 6 GUA NU4: (6 DG C3')-(6 DG C4')-(6 DG O4')-(6 DG C1') -12.2 17.8 &rst iat = 188, 168, 170, 171, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 7 CYT NU0: (7 DC C4')-(7 DC O4')-(7 DC C1')-(7 DC C2') -38.1 -8.1 &rst iat = 201, 203, 204, 220, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 7 CYT NU1: (7 DC O4')-(7 DC C1')-(7 DC C2')-(7 DC C3') 19.8 49.8 &rst iat = 203, 204, 220, 218, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, rk2 = 50.5, rk3 = 50.5, &end # 7 CYT NU2: (7 DC C1')-(7 DC C2')-(7 DC C3')-(7 DC C4') -47.9 -17.9 &rst iat = 204, 220, 218, 201, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 7 CYT NU3: (7 DC C2')-(7 DC C3')-(7 DC C4')-(7 DC O4') 3.6 33.6 &rst iat = 220, 218, 201, 203, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 7 CYT NU4: (7 DC C3')-(7 DC C4')-(7 DC O4')-(7 DC C1') -12.2 17.8 &rst iat = 218, 201, 203, 204, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 8 THY NU0: (8 DT C4')-(8 DT O4')-(8 DT C1')-(8 DT C2') -38.1 -8.1 &rst iat = 231, 233, 234, 252, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 8 THY NU1: (8 DT O4')-(8 DT C1')-(8 DT C2')-(8 DT C3') 19.8 49.8 &rst iat = 233, 234, 252, 250, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, rk2 = 50.5, rk3 = 50.5, &end # 8 THY NU2: (8 DT C1')-(8 DT C2')-(8 DT C3')-(8 DT C4') -47.9 -17.9 &rst iat = 234, 252, 250, 231, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 8 THY NU3: (8 DT C2')-(8 DT C3')-(8 DT C4')-(8 DT O4') 3.6 33.6 &rst iat = 252, 250, 231, 233, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 8 THY NU4: (8 DT C3')-(8 DT C4')-(8 DT O4')-(8 DT C1') -12.2 17.8 &rst iat = 250, 231, 233, 234, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 9 CYT NU0: (9 DC3 C4')-(9 DC3 O4')-(9 DC3 C1')-(9 DC3 C2') -38.1 -8.1 &rst iat = 263, 265, 266, 282, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 9 CYT NU1: (9 DC3 O4')-(9 DC3 C1')-(9 DC3 C2')-(9 DC3 C3') 19.8 49.8 &rst iat = 265, 266, 282, 280, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, rk2 = 50.5, rk3 = 50.5, &end # 9 CYT NU2: (9 DC3 C1')-(9 DC3 C2')-(9 DC3 C3')-(9 DC3 C4') -47.9 -17.9 &rst iat = 266, 282, 280, 263, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 9 CYT NU3: (9 DC3 C2')-(9 DC3 C3')-(9 DC3 C4')-(9 DC3 O4') 3.6 33.6 &rst iat = 282, 280, 263, 265, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 9 CYT NU4: (9 DC3 C3')-(9 DC3 C4')-(9 DC3 O4')-(9 DC3 C1') -12.2 17.8 &rst iat = 280, 263, 265, 266, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 10 GUA NU0: (10 DG5 C4')-(10 DG5 O4')-(10 DG5 C1')-(10 DG5 C2') -38.1 -8.1 &rst iat = 292, 294, 295, 314, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 10 GUA NU1: (10 DG5 O4')-(10 DG5 C1')-(10 DG5 C2')-(10 DG5 C3') 19.8 49.8 &rst iat = 294, 295, 314, 312, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, rk2 = 50.5, rk3 = 50.5, &end # 10 GUA NU2: (10 DG5 C1')-(10 DG5 C2')-(10 DG5 C3')-(10 DG5 C4') -47.9 -17.9 &rst iat = 295, 314, 312, 292, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 10 GUA NU3: (10 DG5 C2')-(10 DG5 C3')-(10 DG5 C4')-(10 DG5 O4') 3.6 33.6 &rst iat = 314, 312, 292, 294, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 10 GUA NU4: (10 DG5 C3')-(10 DG5 C4')-(10 DG5 O4')-(10 DG5 C1') -12.2 17.8 &rst iat = 312, 292, 294, 295, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 11 ADE NU0: (11 DA C4')-(11 DA O4')-(11 DA C1')-(11 DA C2') -38.1 -8.1 &rst iat = 325, 327, 328, 346, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 11 ADE NU1: (11 DA O4')-(11 DA C1')-(11 DA C2')-(11 DA C3') 19.8 49.8 &rst iat = 327, 328, 346, 344, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, rk2 = 50.5, rk3 = 50.5, &end # 11 ADE NU2: (11 DA C1')-(11 DA C2')-(11 DA C3')-(11 DA C4') -47.9 -17.9 &rst iat = 328, 346, 344, 325, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 11 ADE NU3: (11 DA C2')-(11 DA C3')-(11 DA C4')-(11 DA O4') 3.6 33.6 &rst iat = 346, 344, 325, 327, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 11 ADE NU4: (11 DA C3')-(11 DA C4')-(11 DA O4')-(11 DA C1') -12.2 17.8 &rst iat = 344, 325, 327, 328, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 12 GUA NU0: (12 DG C4')-(12 DG O4')-(12 DG C1')-(12 DG C2') -38.1 -8.1 &rst iat = 357, 359, 360, 379, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 12 GUA NU1: (12 DG O4')-(12 DG C1')-(12 DG C2')-(12 DG C3') 19.8 49.8 &rst iat = 359, 360, 379, 377, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, rk2 = 50.5, rk3 = 50.5, &end # 12 GUA NU2: (12 DG C1')-(12 DG C2')-(12 DG C3')-(12 DG C4') -47.9 -17.9 &rst iat = 360, 379, 377, 357, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 12 GUA NU3: (12 DG C2')-(12 DG C3')-(12 DG C4')-(12 DG O4') 3.6 33.6 &rst iat = 379, 377, 357, 359, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 12 GUA NU4: (12 DG C3')-(12 DG C4')-(12 DG O4')-(12 DG C1') -12.2 17.8 &rst iat = 377, 357, 359, 360, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 13 CYT NU0: (13 DC C4')-(13 DC O4')-(13 DC C1')-(13 DC C2') -38.1 -8.1 &rst iat = 390, 392, 393, 409, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 13 CYT NU1: (13 DC O4')-(13 DC C1')-(13 DC C2')-(13 DC C3') 19.8 49.8 &rst iat = 392, 393, 409, 407, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, rk2 = 50.5, rk3 = 50.5, &end # 13 CYT NU2: (13 DC C1')-(13 DC C2')-(13 DC C3')-(13 DC C4') -47.9 -17.9 &rst iat = 393, 409, 407, 390, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 13 CYT NU3: (13 DC C2')-(13 DC C3')-(13 DC C4')-(13 DC O4') 3.6 33.6 &rst iat = 409, 407, 390, 392, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 13 CYT NU4: (13 DC C3')-(13 DC C4')-(13 DC O4')-(13 DC C1') -12.2 17.8 &rst iat = 407, 390, 392, 393, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 14 THY NU0: (14 DT C4')-(14 DT O4')-(14 DT C1')-(14 DT C2') -38.1 -8.1 &rst iat = 420, 422, 423, 441, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 14 THY NU1: (14 DT O4')-(14 DT C1')-(14 DT C2')-(14 DT C3') 19.8 49.8 &rst iat = 422, 423, 441, 439, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, rk2 = 50.5, rk3 = 50.5, &end # 14 THY NU2: (14 DT C1')-(14 DT C2')-(14 DT C3')-(14 DT C4') -47.9 -17.9 &rst iat = 423, 441, 439, 420, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 14 THY NU3: (14 DT C2')-(14 DT C3')-(14 DT C4')-(14 DT O4') 3.6 33.6 &rst iat = 441, 439, 420, 422, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 14 THY NU4: (14 DT C3')-(14 DT C4')-(14 DT O4')-(14 DT C1') -12.2 17.8 &rst iat = 439, 420, 422, 423, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 15 CYT NU0: (15 DC C4')-(15 DC O4')-(15 DC C1')-(15 DC C2') -38.1 -8.1 &rst iat = 452, 454, 455, 471, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 15 CYT NU1: (15 DC O4')-(15 DC C1')-(15 DC C2')-(15 DC C3') 19.8 49.8 &rst iat = 454, 455, 471, 469, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, rk2 = 50.5, rk3 = 50.5, &end # 15 CYT NU2: (15 DC C1')-(15 DC C2')-(15 DC C3')-(15 DC C4') -47.9 -17.9 &rst iat = 455, 471, 469, 452, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 15 CYT NU3: (15 DC C2')-(15 DC C3')-(15 DC C4')-(15 DC O4') 3.6 33.6 &rst iat = 471, 469, 452, 454, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 15 CYT NU4: (15 DC C3')-(15 DC C4')-(15 DC O4')-(15 DC C1') -12.2 17.8 &rst iat = 469, 452, 454, 455, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 16 CYT NU0: (16 DC C4')-(16 DC O4')-(16 DC C1')-(16 DC C2') -38.1 -8.1 &rst iat = 482, 484, 485, 501, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 16 CYT NU1: (16 DC O4')-(16 DC C1')-(16 DC C2')-(16 DC C3') 19.8 49.8 &rst iat = 484, 485, 501, 499, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, rk2 = 50.5, rk3 = 50.5, &end # 16 CYT NU2: (16 DC C1')-(16 DC C2')-(16 DC C3')-(16 DC C4') -47.9 -17.9 &rst iat = 485, 501, 499, 482, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 16 CYT NU3: (16 DC C2')-(16 DC C3')-(16 DC C4')-(16 DC O4') 3.6 33.6 &rst iat = 501, 499, 482, 484, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 16 CYT NU4: (16 DC C3')-(16 DC C4')-(16 DC O4')-(16 DC C1') -12.2 17.8 &rst iat = 499, 482, 484, 485, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 17 ADE NU0: (17 DA C4')-(17 DA O4')-(17 DA C1')-(17 DA C2') -38.1 -8.1 &rst iat = 512, 514, 515, 533, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 17 ADE NU1: (17 DA O4')-(17 DA C1')-(17 DA C2')-(17 DA C3') 19.8 49.8 &rst iat = 514, 515, 533, 531, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, rk2 = 50.5, rk3 = 50.5, &end # 17 ADE NU2: (17 DA C1')-(17 DA C2')-(17 DA C3')-(17 DA C4') -47.9 -17.9 &rst iat = 515, 533, 531, 512, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 17 ADE NU3: (17 DA C2')-(17 DA C3')-(17 DA C4')-(17 DA O4') 3.6 33.6 &rst iat = 533, 531, 512, 514, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 17 ADE NU4: (17 DA C3')-(17 DA C4')-(17 DA O4')-(17 DA C1') -12.2 17.8 &rst iat = 531, 512, 514, 515, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end # 18 THY NU0: (18 DT3 C4')-(18 DT3 O4')-(18 DT3 C1')-(18 DT3 C2') -38.1 -8.1 &rst iat = 544, 546, 547, 565, r1 = -39.1, r2 = -38.1, r3 = -8.1, r4 = -7.1, rk2 = 50.5, rk3 = 50.5, &end # 18 THY NU1: (18 DT3 O4')-(18 DT3 C1')-(18 DT3 C2')-(18 DT3 C3') 19.8 49.8 &rst iat = 546, 547, 565, 563, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, rk2 = 50.5, rk3 = 50.5, &end # 18 THY NU2: (18 DT3 C1')-(18 DT3 C2')-(18 DT3 C3')-(18 DT3 C4') -47.9 -17.9 &rst iat = 547, 565, 563, 544, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, rk2 = 50.5, rk3 = 50.5, &end # 18 THY NU3: (18 DT3 C2')-(18 DT3 C3')-(18 DT3 C4')-(18 DT3 O4') 3.6 33.6 &rst iat = 565, 563, 544, 546, r1 = 2.6, r2 = 3.6, r3 = 33.6, r4 = 34.6, rk2 = 50.5, rk3 = 50.5, &end # 18 THY NU4: (18 DT3 C3')-(18 DT3 C4')-(18 DT3 O4')-(18 DT3 C1') -12.2 17.8 &rst iat = 563, 544, 546, 547, r1 = -13.2, r2 = -12.2, r3 = 17.8, r4 = 18.8, rk2 = 50.5, rk3 = 50.5, &end
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