NMR Restraints Grid |
Result table
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
623313 | 5u9q | 30211 | cing | 2-parsed | STAR | dihedral angle | 38 |
data_5u9q_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_5u9q _Study_list.ID 1 loop_ _Study.ID _Study.Name _Study.Type _Study.Details _Study.Entry_ID _Study.Study_list_ID 1 "Conversion project" NMR . parsed_5u9q 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_5u9q _Entry.Title "Original constraint list(s)" _Entry.Version_type original _Entry.Submission_date . _Entry.Accession_date . _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination . _Entry.NMR_STAR_version 3.1 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5u9q "Master copy" parsed_5u9q stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_5u9q _Constraint_stat_list.ID 1 loop_ _Constraint_file.ID _Constraint_file.Constraint_filename _Constraint_file.Software_ID _Constraint_file.Software_label _Constraint_file.Software_name _Constraint_file.Block_ID _Constraint_file.Constraint_type _Constraint_file.Constraint_subtype _Constraint_file.Constraint_subsubtype _Constraint_file.Constraint_number _Constraint_file.Entry_ID _Constraint_file.Constraint_stat_list_ID 1 5u9q.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5u9q 1 1 5u9q.mr . . XPLOR/CNS 2 distance NOE simple 473 parsed_5u9q 1 1 5u9q.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 38 parsed_5u9q 1 1 5u9q.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5u9q 1 stop_ save_ save_CNS/XPLOR_dihedral_3 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_5u9q _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 3 _Torsion_angle_constraint_list.Details "Generated by Wattos" loop_ _Torsion_angle_constraint.ID _Torsion_angle_constraint.Torsion_angle_name _Torsion_angle_constraint.Assembly_atom_ID_1 _Torsion_angle_constraint.Entity_assembly_ID_1 _Torsion_angle_constraint.Entity_ID_1 _Torsion_angle_constraint.Comp_index_ID_1 _Torsion_angle_constraint.Seq_ID_1 _Torsion_angle_constraint.Comp_ID_1 _Torsion_angle_constraint.Atom_ID_1 _Torsion_angle_constraint.Resonance_ID_1 _Torsion_angle_constraint.Assembly_atom_ID_2 _Torsion_angle_constraint.Entity_assembly_ID_2 _Torsion_angle_constraint.Entity_ID_2 _Torsion_angle_constraint.Comp_index_ID_2 _Torsion_angle_constraint.Seq_ID_2 _Torsion_angle_constraint.Comp_ID_2 _Torsion_angle_constraint.Atom_ID_2 _Torsion_angle_constraint.Resonance_ID_2 _Torsion_angle_constraint.Assembly_atom_ID_3 _Torsion_angle_constraint.Entity_assembly_ID_3 _Torsion_angle_constraint.Entity_ID_3 _Torsion_angle_constraint.Comp_index_ID_3 _Torsion_angle_constraint.Seq_ID_3 _Torsion_angle_constraint.Comp_ID_3 _Torsion_angle_constraint.Atom_ID_3 _Torsion_angle_constraint.Resonance_ID_3 _Torsion_angle_constraint.Assembly_atom_ID_4 _Torsion_angle_constraint.Entity_assembly_ID_4 _Torsion_angle_constraint.Entity_ID_4 _Torsion_angle_constraint.Comp_index_ID_4 _Torsion_angle_constraint.Seq_ID_4 _Torsion_angle_constraint.Comp_ID_4 _Torsion_angle_constraint.Atom_ID_4 _Torsion_angle_constraint.Resonance_ID_4 _Torsion_angle_constraint.Angle_lower_bound_val _Torsion_angle_constraint.Angle_upper_bound_val _Torsion_angle_constraint.Source_experiment_ID _Torsion_angle_constraint.Auth_asym_ID_1 _Torsion_angle_constraint.Auth_seq_ID_1 _Torsion_angle_constraint.Auth_comp_ID_1 _Torsion_angle_constraint.Auth_atom_ID_1 _Torsion_angle_constraint.Auth_asym_ID_2 _Torsion_angle_constraint.Auth_seq_ID_2 _Torsion_angle_constraint.Auth_comp_ID_2 _Torsion_angle_constraint.Auth_atom_ID_2 _Torsion_angle_constraint.Auth_asym_ID_3 _Torsion_angle_constraint.Auth_seq_ID_3 _Torsion_angle_constraint.Auth_comp_ID_3 _Torsion_angle_constraint.Auth_atom_ID_3 _Torsion_angle_constraint.Auth_asym_ID_4 _Torsion_angle_constraint.Auth_seq_ID_4 _Torsion_angle_constraint.Auth_comp_ID_4 _Torsion_angle_constraint.Auth_atom_ID_4 _Torsion_angle_constraint.Entry_ID _Torsion_angle_constraint.Torsion_angle_constraint_list_ID 1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.29 -43.15 . . 1 . C . 2 . N . 2 . CA . 2 . C parsed_5u9q 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.20 -51.40 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_5u9q 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.75 -50.99 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_5u9q 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.56 -48.50 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_5u9q 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.10 -55.34 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_5u9q 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.91 -51.03 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_5u9q 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.96 -39.70 . . 8 . C . 9 . N . 9 . CA . 9 . C parsed_5u9q 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.43 -52.15 . . 9 . C . 10 . N . 10 . CA . 10 . C parsed_5u9q 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.41 -48.75 . . 10 . C . 11 . N . 11 . CA . 11 . C parsed_5u9q 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.47 -58.51 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_5u9q 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.66 -48.52 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_5u9q 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.56 -47.66 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_5u9q 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -74.37 -50.83 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_5u9q 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.99 -55.39 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_5u9q 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.44 -54.38 . . 16 . C . 17 . N . 17 . CA . 17 . C parsed_5u9q 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -64.88 -56.38 . . 17 . C . 18 . N . 18 . CA . 18 . C parsed_5u9q 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -75.19 -52.87 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_5u9q 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -78.16 -54.52 . . 19 . C . 20 . N . 20 . CA . 20 . C parsed_5u9q 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -114.82 -35.50 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_5u9q 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.17 -29.51 . . 2 . N . 2 . CA . 2 . C . 3 . N parsed_5u9q 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.12 -28.58 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_5u9q 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.41 -30.61 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_5u9q 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.60 -32.04 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_5u9q 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.66 -18.16 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_5u9q 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.53 -17.31 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_5u9q 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.95 -22.35 . . 9 . N . 9 . CA . 9 . C . 10 . N parsed_5u9q 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.57 -31.43 . . 10 . N . 10 . CA . 10 . C . 11 . N parsed_5u9q 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.77 -25.69 . . 11 . N . 11 . CA . 11 . C . 12 . N parsed_5u9q 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.38 -28.42 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_5u9q 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.33 -20.35 . . 13 . N . 13 . CA . 13 . C . 14 . N parsed_5u9q 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.20 -25.20 . . 14 . N . 14 . CA . 14 . C . 15 . N parsed_5u9q 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.65 -28.23 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_5u9q 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.69 -35.35 . . 16 . N . 16 . CA . 16 . C . 17 . N parsed_5u9q 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.14 -18.52 . . 17 . N . 17 . CA . 17 . C . 18 . N parsed_5u9q 1 35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.48 -33.70 . . 18 . N . 18 . CA . 18 . C . 19 . N parsed_5u9q 1 36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.34 -31.48 . . 19 . N . 19 . CA . 19 . C . 20 . N parsed_5u9q 1 37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.64 -4.96 . . 20 . N . 20 . CA . 20 . C . 21 . N parsed_5u9q 1 38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.32 -11.90 . . 21 . N . 21 . CA . 21 . C . 22 . N parsed_5u9q 1 stop_ loop_ _TA_constraint_comment_org.ID _TA_constraint_comment_org.Comment_text _TA_constraint_comment_org.Comment_begin_line _TA_constraint_comment_org.Comment_begin_column _TA_constraint_comment_org.Comment_end_line _TA_constraint_comment_org.Comment_end_column _TA_constraint_comment_org.Entry_ID _TA_constraint_comment_org.Torsion_angle_constraint_list_ID 1 ; !Ocellatin-LB1-tfe 1. V 2 Phi -58.22 +/- 15.07 (-73.29 to -43.15) ; 2 1 3 49 parsed_5u9q 1 2 "2. V 3 Phi -62.30 +/- 10.90 (-73.20 to -51.39)" 8 1 8 49 parsed_5u9q 1 3 "3. D 4 Phi -60.87 +/- 9.88 (-70.75 to -50.99)" 13 1 13 48 parsed_5u9q 1 4 "4. I 5 Phi -67.03 +/- 18.53 (-85.55 to -48.50)" 18 1 18 49 parsed_5u9q 1 5 "5. L 6 Phi -65.22 +/- 9.88 (-75.09 to -55.34)" 23 1 23 48 parsed_5u9q 1 6 "6. K 7 Phi -64.47 +/- 13.44 (-77.91 to -51.03)" 28 1 28 49 parsed_5u9q 1 7 "7. A 9 Phi -56.33 +/- 16.63 (-72.96 to -39.70)" 33 1 33 49 parsed_5u9q 1 8 "8. A 10 Phi -63.29 +/- 11.14 (-74.44 to -52.15)" 38 1 38 50 parsed_5u9q 1 9 "9. K 11 Phi -63.58 +/- 14.83 (-78.41 to -48.75)" 43 1 43 50 parsed_5u9q 1 10 "10. D 12 Phi -64.99 +/- 6.48 (-71.47 to -58.50)" 48 1 48 50 parsed_5u9q 1 11 "11. I 13 Phi -69.09 +/- 20.57 (-89.66 to -48.52)" 53 1 53 51 parsed_5u9q 1 12 "12. A 14 Phi -59.61 +/- 11.95 (-71.57 to -47.66)" 58 1 58 51 parsed_5u9q 1 13 "13. G 15 Phi -62.60 +/- 11.77 (-74.36 to -50.83)" 63 1 63 51 parsed_5u9q 1 14 "14. H 16 Phi -63.19 +/- 7.80 (-71.00 to -55.39)" 68 1 68 50 parsed_5u9q 1 15 "15. L 17 Phi -65.91 +/- 11.53 (-77.44 to -54.38)" 73 1 73 51 parsed_5u9q 1 16 "16. A 18 Phi -60.63 +/- 4.25 (-64.88 to -56.38)" 78 1 78 50 parsed_5u9q 1 17 "17. S 19 Phi -64.03 +/- 11.16 (-75.19 to -52.88)" 83 1 83 51 parsed_5u9q 1 18 "18. K 20 Phi -66.34 +/- 11.82 (-78.16 to -54.51)" 88 1 88 51 parsed_5u9q 1 19 "19. V 21 Phi -75.16 +/- 39.66 (-114.81 to -35.50)" 93 1 93 52 parsed_5u9q 1 20 "20. V 2 Psi -47.34 +/- 17.83 (-65.16 to -29.51)" 99 1 99 50 parsed_5u9q 1 21 "21. V 3 Psi -44.35 +/- 15.77 (-60.12 to -28.58)" 104 1 104 50 parsed_5u9q 1 22 "22. D 4 Psi -41.51 +/- 10.90 (-52.40 to -30.61)" 109 1 109 50 parsed_5u9q 1 23 "23. I 5 Psi -43.82 +/- 11.78 (-55.60 to -32.04)" 114 1 114 50 parsed_5u9q 1 24 "24. L 6 Psi -36.91 +/- 18.75 (-55.66 to -18.15)" 119 1 119 50 parsed_5u9q 1 25 "25. K 7 Psi -39.92 +/- 22.61 (-62.53 to -17.30)" 124 1 124 50 parsed_5u9q 1 26 "26. A 9 Psi -40.15 +/- 17.80 (-57.94 to -22.35)" 129 1 129 50 parsed_5u9q 1 27 "27. A 10 Psi -43.00 +/- 11.57 (-54.57 to -31.43)" 134 1 134 51 parsed_5u9q 1 28 "28. K 11 Psi -42.73 +/- 17.04 (-59.77 to -25.69)" 139 1 139 51 parsed_5u9q 1 29 "29. D 12 Psi -41.40 +/- 12.98 (-54.38 to -28.42)" 144 1 144 51 parsed_5u9q 1 30 "30. I 13 Psi -38.34 +/- 17.99 (-56.33 to -20.34)" 149 1 149 51 parsed_5u9q 1 31 "31. A 14 Psi -44.20 +/- 19.00 (-63.20 to -25.20)" 154 1 154 51 parsed_5u9q 1 32 "32. G 15 Psi -44.44 +/- 16.21 (-60.65 to -28.22)" 159 1 159 51 parsed_5u9q 1 33 "33. H 16 Psi -43.52 +/- 8.17 (-51.69 to -35.35)" 164 1 164 50 parsed_5u9q 1 34 "34. L 17 Psi -39.33 +/- 20.81 (-60.14 to -18.52)" 169 1 169 51 parsed_5u9q 1 35 "35. A 18 Psi -41.09 +/- 7.39 (-48.49 to -33.70)" 174 1 174 50 parsed_5u9q 1 36 "36. S 19 Psi -41.91 +/- 10.43 (-52.34 to -31.48)" 179 1 179 51 parsed_5u9q 1 37 "37. K 20 Psi -27.80 +/- 22.84 (-50.64 to -4.96)" 184 1 184 50 parsed_5u9q 1 38 "38. V 21 Psi -34.11 +/- 22.21 (-56.32 to -11.90)" 189 1 189 51 parsed_5u9q 1 stop_ loop_ _TA_constraint_parse_err.ID _TA_constraint_parse_err.Content _TA_constraint_parse_err.Begin_line _TA_constraint_parse_err.Begin_column _TA_constraint_parse_err.End_line _TA_constraint_parse_err.End_column _TA_constraint_parse_err.Entry_ID _TA_constraint_parse_err.Torsion_angle_constraint_list_ID 1 "# Restraints file 2: ANGLE-restraints.tbl" 1 1 1 41 parsed_5u9q 1 stop_ save_
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