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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527834 |
2rs2   |
11450 | cing | 1-original | 4 | AMBER | dihedral angle |
# 1511 atoms read from pdb file leap.pdb. # 5 ILE CHI1: (5 ILE N)-(5 ILE CA)-(5 ILE CB)-(5 ILE CG1) 270.0 330.0 &rst iat = 73, 75, 77, 83, r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0, rk2 = 60.0, rk3 = 60.0, &end # 8 LEU CHI1: (8 LEU N)-(8 LEU CA)-(8 LEU CB)-(8 LEU CG) 270.0 330.0 &rst iat = 106, 108, 110, 113, r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0, &end # 10 TRP CHI1: (10 TRP N)-(10 TRP CA)-(10 TRP CB)-(10 TRP CG) 270.0 330.0 &rst iat = 136, 138, 140, 143, r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0, &end # 27 VAL CHI1: (27 VAL N)-(27 VAL CA)-(27 VAL CB)-(27 VAL CG1) 270.0 330.0 &rst iat = 409, 411, 413, 415, r1 = 269.0, r2 = 270.0, r3 = 330.0, r4 = 331.0, &end # 32 VAL CHI1: (32 VAL N)-(32 VAL CA)-(32 VAL CB)-(32 VAL CG1) 150.0 210.0 &rst iat = 492, 494, 496, 498, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 47 VAL CHI1: (47 VAL N)-(47 VAL CA)-(47 VAL CB)-(47 VAL CG1) 150.0 210.0 &rst iat = 743, 745, 747, 749, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 55 VAL CHI1: (55 VAL N)-(55 VAL CA)-(55 VAL CB)-(55 VAL CG1) 150.0 210.0 &rst iat = 856, 858, 860, 862, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 58 VAL CHI1: (58 VAL N)-(58 VAL CA)-(58 VAL CB)-(58 VAL CG1) 150.0 210.0 &rst iat = 906, 908, 910, 912, r1 = 149.0, r2 = 150.0, r3 = 210.0, r4 = 211.0, &end # 77 PHE CHI1: (77 PHE N)-(77 PHE CA)-(77 PHE CB)-(77 PHE CG) 250.0 330.0 &rst iat = 1206, 1208, 1210, 1213, r1 = 249.0, r2 = 250.0, r3 = 330.0, r4 = 331.0, &end # 85 RG CHI: (85 RG5 O4')-(85 RG5 C1')-(85 RG5 N9)-(85 RG5 C4) 120.0 300.0 &rst iat = 1359, 1360, 1362, 1376, r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0, &end # 85 RG NU0: (85 RG5 C4')-(85 RG5 O4')-(85 RG5 C1')-(85 RG5 C2') -37.3 -7.3 &rst iat = 1357, 1359, 1360, 1379, r1 = -38.3, r2 = -37.3, r3 = -7.3, r4 = -6.3, &end # 85 RG NU1: (85 RG5 O4')-(85 RG5 C1')-(85 RG5 C2')-(85 RG5 C3') 19.8 49.8 &rst iat = 1359, 1360, 1379, 1377, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 85 RG NU2: (85 RG5 C1')-(85 RG5 C2')-(85 RG5 C3')-(85 RG5 C4') -49.0 -19.0 &rst iat = 1360, 1379, 1377, 1357, r1 = -50.0, r2 = -49.0, r3 = -19.0, r4 = -18.0, &end # 85 RG NU3: (85 RG5 C2')-(85 RG5 C3')-(85 RG5 C4')-(85 RG5 O4') 5.2 35.2 &rst iat = 1379, 1377, 1357, 1359, r1 = 4.2, r2 = 5.2, r3 = 35.2, r4 = 36.2, &end # 85 RG NU4: (85 RG5 C3')-(85 RG5 C4')-(85 RG5 O4')-(85 RG5 C1') -13.7 16.3 &rst iat = 1377, 1357, 1359, 1360, r1 = -14.7, r2 = -13.7, r3 = 16.3, r4 = 17.3, &end # 86 RU CHI: (86 RU O4')-(86 RU C1')-(86 RU N1)-(86 RU C2) 120.0 300.0 &rst iat = 1393, 1394, 1396, 1405, r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0, &end # 86 RU NU0: (86 RU C4')-(86 RU O4')-(86 RU C1')-(86 RU C2') -37.3 -7.3 &rst iat = 1391, 1393, 1394, 1409, r1 = -38.3, r2 = -37.3, r3 = -7.3, r4 = -6.3, &end # 86 RU NU1: (86 RU O4')-(86 RU C1')-(86 RU C2')-(86 RU C3') 19.8 49.8 &rst iat = 1393, 1394, 1409, 1407, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 86 RU NU2: (86 RU C1')-(86 RU C2')-(86 RU C3')-(86 RU C4') -49.0 -19.0 &rst iat = 1394, 1409, 1407, 1391, r1 = -50.0, r2 = -49.0, r3 = -19.0, r4 = -18.0, &end # 86 RU NU3: (86 RU C2')-(86 RU C3')-(86 RU C4')-(86 RU O4') 5.2 35.2 &rst iat = 1409, 1407, 1391, 1393, r1 = 4.2, r2 = 5.2, r3 = 35.2, r4 = 36.2, &end # 86 RU NU4: (86 RU C3')-(86 RU C4')-(86 RU O4')-(86 RU C1') -13.7 16.3 &rst iat = 1407, 1391, 1393, 1394, r1 = -14.7, r2 = -13.7, r3 = 16.3, r4 = 17.3, &end # 87 RA CHI: (87 RA O4')-(87 RA C1')-(87 RA N9)-(87 RA C4) 120.0 300.0 &rst iat = 1423, 1424, 1426, 1439, r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0, &end # 87 RA NU0: (87 RA C4')-(87 RA O4')-(87 RA C1')-(87 RA C2') -37.3 -7.3 &rst iat = 1421, 1423, 1424, 1442, r1 = -38.3, r2 = -37.3, r3 = -7.3, r4 = -6.3, &end # 87 RA NU1: (87 RA O4')-(87 RA C1')-(87 RA C2')-(87 RA C3') 19.8 49.8 &rst iat = 1423, 1424, 1442, 1440, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 87 RA NU2: (87 RA C1')-(87 RA C2')-(87 RA C3')-(87 RA C4') -49.0 -19.0 &rst iat = 1424, 1442, 1440, 1421, r1 = -50.0, r2 = -49.0, r3 = -19.0, r4 = -18.0, &end # 87 RA NU3: (87 RA C2')-(87 RA C3')-(87 RA C4')-(87 RA O4') 5.2 35.2 &rst iat = 1442, 1440, 1421, 1423, r1 = 4.2, r2 = 5.2, r3 = 35.2, r4 = 36.2, &end # 87 RA NU4: (87 RA C3')-(87 RA C4')-(87 RA O4')-(87 RA C1') -13.7 16.3 &rst iat = 1440, 1421, 1423, 1424, r1 = -14.7, r2 = -13.7, r3 = 16.3, r4 = 17.3, &end # 88 RG CHI: (88 RG O4')-(88 RG C1')-(88 RG N9)-(88 RG C4) -30.0 90.0 &rst iat = 1456, 1457, 1459, 1473, r1 = -31.0, r2 = -30.0, r3 = 90.0, r4 = 91.0, &end # 89 RU CHI: (89 RU3 O4')-(89 RU3 C1')-(89 RU3 N1)-(89 RU3 C2) 120.0 300.0 &rst iat = 1490, 1491, 1493, 1502, r1 = 119.0, r2 = 120.0, r3 = 300.0, r4 = 301.0, &end # 89 RU NU0: (89 RU3 C4')-(89 RU3 O4')-(89 RU3 C1')-(89 RU3 C2') -37.3 -7.3 &rst iat = 1488, 1490, 1491, 1506, r1 = -38.3, r2 = -37.3, r3 = -7.3, r4 = -6.3, &end # 89 RU NU1: (89 RU3 O4')-(89 RU3 C1')-(89 RU3 C2')-(89 RU3 C3') 19.8 49.8 &rst iat = 1490, 1491, 1506, 1504, r1 = 18.8, r2 = 19.8, r3 = 49.8, r4 = 50.8, &end # 89 RU NU2: (89 RU3 C1')-(89 RU3 C2')-(89 RU3 C3')-(89 RU3 C4') -49.0 -19.0 &rst iat = 1491, 1506, 1504, 1488, r1 = -50.0, r2 = -49.0, r3 = -19.0, r4 = -18.0, &end # 89 RU NU3: (89 RU3 C2')-(89 RU3 C3')-(89 RU3 C4')-(89 RU3 O4') 5.2 35.2 &rst iat = 1506, 1504, 1488, 1490, r1 = 4.2, r2 = 5.2, r3 = 35.2, r4 = 36.2, &end # 89 RU NU4: (89 RU3 C3')-(89 RU3 C4')-(89 RU3 O4')-(89 RU3 C1') -13.7 16.3 &rst iat = 1504, 1488, 1490, 1491, r1 = -14.7, r2 = -13.7, r3 = 16.3, r4 = 17.3, &end
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