NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
28985 |
1adz   |
cing | 2-parsed | STAR | dihedral angle | 23 |
data_1adz_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1adz
_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_1adz 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1adz
_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 1adz "Master copy" parsed_1adz
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1adz
_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 1adz.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1adz 1
1 1adz.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 23 parsed_1adz 1
1 1adz.mr . . DYANA/DIANA 3 distance "disulfide bond" simple 0 parsed_1adz 1
1 1adz.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 0 parsed_1adz 1
1 1adz.mr . . DYANA/DIANA 5 distance "disulfide bond" simple 0 parsed_1adz 1
1 1adz.mr . . DYANA/DIANA 6 distance "hydrogen bond" simple 0 parsed_1adz 1
1 1adz.mr . . DYANA/DIANA 7 distance NOE simple 0 parsed_1adz 1
1 1adz.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1adz 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1adz
_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 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 13 PHE . . . . . . . . . . . . . parsed_1adz 1
2 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 14 CYS . . . . . . . . . . . . . parsed_1adz 1
3 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 15 PHE . . . . . . . . . . . . . parsed_1adz 1
4 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 19 ASP . . . . . . . . . . . . . parsed_1adz 1
5 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 30 TYR . . . . . . . . . . . . . parsed_1adz 1
6 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 31 PHE . . . . . . . . . . . . . parsed_1adz 1
7 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 32 TYR . . . . . . . . . . . . . parsed_1adz 1
8 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 33 ASN . . . . . . . . . . . . . parsed_1adz 1
9 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 39 CYS . . . . . . . . . . . . . parsed_1adz 1
10 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 42 PHE . . . . . . . . . . . . . parsed_1adz 1
11 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 44 TYR . . . . . . . . . . . . . parsed_1adz 1
12 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 50 ASN . . . . . . . . . . . . . parsed_1adz 1
13 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 52 ASN . . . . . . . . . . . . . parsed_1adz 1
14 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 53 ASN . . . . . . . . . . . . . parsed_1adz 1
15 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 54 PHE . . . . . . . . . . . . . parsed_1adz 1
16 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 60 CYS . . . . . . . . . . . . . parsed_1adz 1
17 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 64 CYS . . . . . . . . . . . . . parsed_1adz 1
18 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 66 ASP . . . . . . . . . . . . . parsed_1adz 1
19 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 61 LYS . . . . . . . . . . . . . parsed_1adz 1
20 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 37 LYS . . . . . . . . . . . . . parsed_1adz 1
21 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 35.0 85.0 . . 18 GLU . . . . . . . . . . . . . parsed_1adz 1
22 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 155.0 205.0 . . 57 LEU . . . . . . . . . . . . . parsed_1adz 1
23 CHI1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -35.0 . . 29 ARG . . . . . . . . . . . . . parsed_1adz 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 "DIHEDRAL CONSTRAINTS" 2 1 2 22 parsed_1adz 1
2 "12 ASP averaged rotamer." 4 1 4 27 parsed_1adz 1
3 "26 TYR no data" 9 1 9 17 parsed_1adz 1
4 "34 ASN averaged rotamer." 14 1 14 27 parsed_1adz 1
5 "62 ASN unclear data." 23 1 23 24 parsed_1adz 1
6 "69 ASP unclear data." 26 1 26 24 parsed_1adz 1
7 "NMR MODEL BASED DATA" 27 1 27 22 parsed_1adz 1
8 "LOWER BOUND CONSTRAINTS" 33 1 33 25 parsed_1adz 1
stop_
save_
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