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NMR Restraints Grid |
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Result table
(Save to zip file containing files for each block)
image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | item_count |
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653382 |
6ux5 ![]() ![]() |
30682 | cing | 2-parsed | STAR | entry | full | 34 |
data_6ux5_MR_file_constraints save_Conversion_project _Study_list.Sf_category study_list _Study_list.Entry_ID parsed_6ux5 _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_6ux5 1 stop_ save_ save_entry_information _Entry.Sf_category entry_information _Entry.ID parsed_6ux5 _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 6ux5 "Master copy" parsed_6ux5 stop_ save_ save_global_Org_file_characteristics _Constraint_stat_list.Sf_category constraint_statistics _Constraint_stat_list.Entry_ID parsed_6ux5 _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 6ux5.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6ux5 1 1 6ux5.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 34 parsed_6ux5 1 1 6ux5.mr . . "MR format" 3 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6ux5 1 stop_ save_ save_MR_file_comment_1 _Org_constr_file_comment.Sf_category org_constr_file_comment _Org_constr_file_comment.Entry_ID parsed_6ux5 _Org_constr_file_comment.ID 1 _Org_constr_file_comment.Constraint_file_ID 1 _Org_constr_file_comment.Block_ID 1 _Org_constr_file_comment.Details "Generated by Wattos" _Org_constr_file_comment.Comment ; *HEADER TOXIN 06-NOV-19 6UX5 *TITLE STRUCTURE OF ACRORHAGIN I FROM THE SEA ANEMONE ACTINIA EQUINA *COMPND MOL_ID: 1; *COMPND 2 MOLECULE: U-ACTITOXIN-AEQ5A; *COMPND 3 CHAIN: A; *COMPND 4 SYNONYM: U-AITX-AEQ5A,ACRORHAGIN I,ACRORHAGIN-1; *COMPND 5 ENGINEERED: YES *SOURCE MOL_ID: 1; *SOURCE 2 ORGANISM_SCIENTIFIC: ACTINIA EQUINA; *SOURCE 3 ORGANISM_COMMON: BEADLET ANEMONE; *SOURCE 4 ORGANISM_TAXID: 6106; *SOURCE 5 TISSUE: ACRORHAGI; *SOURCE 6 EXPRESSION_SYSTEM: ESCHERICHIA COLI BL21(DE3); *SOURCE 7 EXPRESSION_SYSTEM_TAXID: 469008; *SOURCE 8 EXPRESSION_SYSTEM_STRAIN: BL21(DE3) *KEYWDS TOXIN *EXPDTA SOLUTION NMR *NUMMDL 20 *AUTHOR B.KRISHNARJUNA,P.SUNANDA,R.S.NORTON *REVDAT 1 18-NOV-20 6UX5 0 ; save_ save_CNS/XPLOR_dihedral_2 _Torsion_angle_constraint_list.Sf_category torsion_angle_constraints _Torsion_angle_constraint_list.Entry_ID parsed_6ux5 _Torsion_angle_constraint_list.ID 1 _Torsion_angle_constraint_list.Constraint_file_ID 1 _Torsion_angle_constraint_list.Block_ID 2 _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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_6ux5 1 2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 8 . c . 9 . n . 9 . ca . 9 . c parsed_6ux5 1 3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 9 . c . 10 . n . 10 . ca . 10 . c parsed_6ux5 1 4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_6ux5 1 5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_6ux5 1 6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 12 . c . 13 . n . 13 . ca . 13 . c parsed_6ux5 1 7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 13 . c . 14 . n . 14 . ca . 14 . c parsed_6ux5 1 8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -140 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_6ux5 1 9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40 -120 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_6ux5 1 10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_6ux5 1 11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40 -120 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_6ux5 1 12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_6ux5 1 13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_6ux5 1 14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_6ux5 1 15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_6ux5 1 16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_6ux5 1 17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -130 . . 25 . c . 26 . n . 26 . ca . 26 . c parsed_6ux5 1 18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70 -150 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_6ux5 1 19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40 -120 . . 30 . c . 31 . n . 31 . ca . 31 . c parsed_6ux5 1 20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 31 . c . 32 . n . 32 . ca . 32 . c parsed_6ux5 1 21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_6ux5 1 22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 33 . c . 34 . n . 34 . ca . 34 . c parsed_6ux5 1 23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 34 . c . 35 . n . 35 . ca . 35 . c parsed_6ux5 1 24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_6ux5 1 25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60 -140 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_6ux5 1 26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40 -120 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_6ux5 1 27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40 -120 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_6ux5 1 28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40 -120 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_6ux5 1 29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_6ux5 1 30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_6ux5 1 31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40 -120 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_6ux5 1 32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_6ux5 1 33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_6ux5 1 34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50 -130 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_6ux5 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 "From DANGLE:" 2 1 2 15 parsed_6ux5 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 1: acro1chi.tbl" 1 1 1 33 parsed_6ux5 1 stop_ save_
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