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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521537 |
2lar   |
17535 | cing | 1-original | 3 | AMBER | dihedral angle |
# 578 atoms read from pdb file BPR.pdb. # 1 ADE NU0: (1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2') -47.6 -17.6 &rst iat = 6, 8, 9, 27, r1 = -48.6, r2 = -47.6, r3 = -17.6, r4 = -16.6, rk2 = 50.0, rk3 = 50.0, / # 1 ADE NU1: (1 DA5 O4')-(1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3') 18.8 48.8 &rst iat = 8, 9, 27, 25, r1 = 17.8, r2 = 18.8, r3 = 48.8, r4 = 49.8, / # 1 ADE NU2: (1 DA5 C1')-(1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4') -36.6 -6.6 &rst iat = 9, 27, 25, 6, r1 = -37.6, r2 = -36.6, r3 = -6.6, r4 = -5.6, / # 1 ADE NU3: (1 DA5 C2')-(1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4') -15.0 18.1 &rst iat = 27, 25, 6, 8, r1 = -16.0, r2 = -15.0, r3 = 18.1, r4 = 19.1, / # 1 ADE NU4: (1 DA5 C3')-(1 DA5 C4')-(1 DA5 O4')-(1 DA5 C1') 4.2 34.2 &rst iat = 25, 6, 8, 9, r1 = 3.2, r2 = 4.2, r3 = 34.2, r4 = 35.2, / # 2 THY NU0: (2 DT C4')-(2 DT O4')-(2 DT C1')-(2 DT C2') -42.6 -12.6 &rst iat = 38, 40, 41, 59, r1 = -43.6, r2 = -42.6, r3 = -12.6, r4 = -11.6, / # 2 THY NU1: (2 DT O4')-(2 DT C1')-(2 DT C2')-(2 DT C3') 21.6 51.6 &rst iat = 40, 41, 59, 57, r1 = 20.6, r2 = 21.6, r3 = 51.6, r4 = 52.6, / # 2 THY NU2: (2 DT C1')-(2 DT C2')-(2 DT C3')-(2 DT C4') -44.4 -14.4 &rst iat = 41, 59, 57, 38, r1 = -45.4, r2 = -44.4, r3 = -14.4, r4 = -13.4, / # 2 THY NU3: (2 DT C2')-(2 DT C3')-(2 DT C4')-(2 DT O4') -2.6 27.4 &rst iat = 59, 57, 38, 40, r1 = -3.6, r2 = -2.6, r3 = 27.4, r4 = 28.4, / # 2 THY NU4: (2 DT C3')-(2 DT C4')-(2 DT O4')-(2 DT C1') -5.5 24.5 &rst iat = 57, 38, 40, 41, r1 = -6.5, r2 = -5.5, r3 = 24.5, r4 = 25.5, / # 4 GUA NU0: (4 DG C4')-(4 DG O4')-(4 DG C1')-(4 DG C2') -43.3 -13.3 &rst iat = 103, 105, 106, 125, r1 = -44.3, r2 = -43.3, r3 = -13.3, r4 = -12.3, / # 4 GUA NU1: (4 DG O4')-(4 DG C1')-(4 DG C2')-(4 DG C3') 19.2 49.2 &rst iat = 105, 106, 125, 123, r1 = 18.2, r2 = 19.2, r3 = 49.2, r4 = 50.2, / # 4 GUA NU2: (4 DG C1')-(4 DG C2')-(4 DG C3')-(4 DG C4') -38.9 -8.9 &rst iat = 106, 125, 123, 103, r1 = -39.9, r2 = -38.9, r3 = -8.9, r4 = -7.9, / # 4 GUA NU3: (4 DG C2')-(4 DG C3')-(4 DG C4')-(4 DG O4') -13.8 26.7 &rst iat = 125, 123, 103, 105, r1 = -14.8, r2 = -13.8, r3 = 26.7, r4 = 27.7, / # 4 GUA NU4: (4 DG C3')-(4 DG C4')-(4 DG O4')-(4 DG C1') -5.3 32.3 &rst iat = 123, 103, 105, 106, r1 = -6.3, r2 = -5.3, r3 = 32.3, r4 = 33.3, / # 5 THY NU0: (5 BPR C4')-(5 BPR O4')-(5 BPR C1')-(5 BPR C2') -51.4 -21.4 &rst iat = 136, 138, 139, 157, r1 = -52.4, r2 = -51.4, r3 = -21.4, r4 = -20.4, / # 5 THY NU1: (5 BPR O4')-(5 BPR C1')-(5 BPR C2')-(5 BPR C3') 15.3 45.3 &rst iat = 138, 139, 157, 155, r1 = 14.3, r2 = 15.3, r3 = 45.3, r4 = 46.3, / # 5 THY NU2: (5 BPR C1')-(5 BPR C2')-(5 BPR C3')-(5 BPR C4') -28.6 1.4 &rst iat = 139, 157, 155, 136, r1 = -29.6, r2 = -28.6, r3 = 1.4, r4 = 2.4, / # 5 THY NU3: (5 BPR C2')-(5 BPR C3')-(5 BPR C4')-(5 BPR O4') -23.3 6.7 &rst iat = 157, 155, 136, 138, r1 = -24.3, r2 = -23.3, r3 = 6.7, r4 = 7.7, / # 5 THY NU4: (5 BPR C3')-(5 BPR C4')-(5 BPR O4')-(5 BPR C1') 12.0 42.0 &rst iat = 155, 136, 138, 139, r1 = 11.0, r2 = 12.0, r3 = 42.0, r4 = 43.0, / # 7 CYT NU0: (7 DC C4')-(7 DC O4')-(7 DC C1')-(7 DC C2') -20.7 9.3 &rst iat = 204, 206, 207, 223, r1 = -21.7, r2 = -20.7, r3 = 9.3, r4 = 10.3, / # 7 CYT NU1: (7 DC O4')-(7 DC C1')-(7 DC C2')-(7 DC C3') -31.6 -1.6 &rst iat = 206, 207, 223, 221, r1 = -32.6, r2 = -31.6, r3 = -1.6, r4 = -0.6, / # 7 CYT NU2: (7 DC C1')-(7 DC C2')-(7 DC C3')-(7 DC C4') 17.6 47.6 &rst iat = 207, 223, 221, 204, r1 = 16.6, r2 = 17.6, r3 = 47.6, r4 = 48.6, / # 7 CYT NU3: (7 DC C2')-(7 DC C3')-(7 DC C4')-(7 DC O4') -51.4 -21.4 &rst iat = 223, 221, 204, 206, r1 = -52.4, r2 = -51.4, r3 = -21.4, r4 = -20.4, / # 7 CYT NU4: (7 DC C3')-(7 DC C4')-(7 DC O4')-(7 DC C1') 10.9 40.9 &rst iat = 221, 204, 206, 207, r1 = 9.9, r2 = 10.9, r3 = 40.9, r4 = 41.9, / # 8 THY NU0: (8 DT C4')-(8 DT O4')-(8 DT C1')-(8 DT C2') -47.2 -17.2 &rst iat = 234, 236, 237, 255, r1 = -48.2, r2 = -47.2, r3 = -17.2, r4 = -16.2, / # 8 THY NU1: (8 DT O4')-(8 DT C1')-(8 DT C2')-(8 DT C3') 21.1 51.1 &rst iat = 236, 237, 255, 253, r1 = 20.1, r2 = 21.1, r3 = 51.1, r4 = 52.1, / # 8 THY NU2: (8 DT C1')-(8 DT C2')-(8 DT C3')-(8 DT C4') -40.6 -10.6 &rst iat = 237, 255, 253, 234, r1 = -41.6, r2 = -40.6, r3 = -10.6, r4 = -9.6, / # 8 THY NU3: (8 DT C2')-(8 DT C3')-(8 DT C4')-(8 DT O4') -9.3 20.7 &rst iat = 255, 253, 234, 236, r1 = -10.3, r2 = -9.3, r3 = 20.7, r4 = 21.7, / # 8 THY NU4: (8 DT C3')-(8 DT C4')-(8 DT O4')-(8 DT C1') 1.5 31.5 &rst iat = 253, 234, 236, 237, r1 = 0.5, r2 = 1.5, r3 = 31.5, r4 = 32.5, / # 9 CYT NU0: (9 DC3 C4')-(9 DC3 O4')-(9 DC3 C1')-(9 DC3 C2') -47.9 -17.9 &rst iat = 266, 268, 269, 285, r1 = -48.9, r2 = -47.9, r3 = -17.9, r4 = -16.9, / # 9 CYT NU1: (9 DC3 O4')-(9 DC3 C1')-(9 DC3 C2')-(9 DC3 C3') 15.6 45.6 &rst iat = 268, 269, 285, 283, r1 = 14.6, r2 = 15.6, r3 = 45.6, r4 = 46.6, / # 9 CYT NU2: (9 DC3 C1')-(9 DC3 C2')-(9 DC3 C3')-(9 DC3 C4') -34.3 0.0 &rst iat = 269, 285, 283, 266, r1 = -35.3, r2 = -34.3, r3 = 0.0, r4 = 1.0, / # 9 CYT NU3: (9 DC3 C2')-(9 DC3 C3')-(9 DC3 C4')-(9 DC3 O4') -22.6 17.5 &rst iat = 285, 283, 266, 268, r1 = -23.6, r2 = -22.6, r3 = 17.5, r4 = 18.5, / # 9 CYT NU4: (9 DC3 C3')-(9 DC3 C4')-(9 DC3 O4')-(9 DC3 C1') 6.1 36.6 &rst iat = 283, 266, 268, 269, r1 = 5.1, r2 = 6.1, r3 = 36.6, r4 = 37.6, / #============================================================================
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