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 | program | type | item_count |
|
|
616319 |
5l82   |
34006 | cing | 2-parsed | STAR | dihedral angle | 18 |
data_5l82_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5l82
_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_5l82 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5l82
_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 5l82 "Master copy" parsed_5l82
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5l82
_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 5l82.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5l82 1
1 5l82.mr . . DYANA/DIANA 2 distance NOE simple 561 parsed_5l82 1
1 5l82.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_5l82 1
1 5l82.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 18 parsed_5l82 1
1 5l82.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5l82 1
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_5l82
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 4
_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 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89 -38.2 . . 2 LYS . . . . . . . . . . . . . parsed_5l82 1
2 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.8 -49 . . 3 PHE . . . . . . . . . . . . . parsed_5l82 1
3 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.8 -50.2 . . 5 PHE . . . . . . . . . . . . . parsed_5l82 1
4 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.9 -47.1 . . 10 THR . . . . . . . . . . . . . parsed_5l82 1
5 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.2 -55.6 . . 11 ILE . . . . . . . . . . . . . parsed_5l82 1
6 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 161.6 190 . . 12 VAL . . . . . . . . . . . . . parsed_5l82 1
7 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -81.8 -54.2 . . 15 LEU . . . . . . . . . . . . . parsed_5l82 1
8 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.2 -44.8 . . 16 THR . . . . . . . . . . . . . parsed_5l82 1
9 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.3 -48.1 . . 18 TYR . . . . . . . . . . . . . parsed_5l82 1
10 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -77.6 -58.4 . . 20 ILE . . . . . . . . . . . . . parsed_5l82 1
11 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -199.8 -155.4 . . 22 TRP . . . . . . . . . . . . . parsed_5l82 1
12 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -82.1 -59.3 . . 25 ASN . . . . . . . . . . . . . parsed_5l82 1
13 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.7 -44.5 . . 26 LYS . . . . . . . . . . . . . parsed_5l82 1
14 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -79.5 -52.3 . . 27 HIS . . . . . . . . . . . . . parsed_5l82 1
15 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.9 -49.7 . . 29 TYR . . . . . . . . . . . . . parsed_5l82 1
16 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.1 -41.3 . . 30 TYR . . . . . . . . . . . . . parsed_5l82 1
17 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76 -47.2 . . 33 GLU . . . . . . . . . . . . . parsed_5l82 1
18 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.2 -42.2 . . 34 ILE . . . . . . . . . . . . . parsed_5l82 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 "Restraints file 3: test-CHI.aco" 1 1 1 33 parsed_5l82 1
stop_
save_
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