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 |
|
|
512684 |
2ld8   |
17655 | cing | 2-parsed | STAR | dihedral angle | 36 |
data_2ld8_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ld8
_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_2ld8 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ld8
_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 2ld8 "Master copy" parsed_2ld8
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ld8
_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 2ld8.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ld8 1
1 2ld8.mr . . XPLOR/CNS 2 distance NOE simple 328 parsed_2ld8 1
1 2ld8.mr . . XPLOR/CNS 3 planarity "Not applicable" "Not applicable" 0 parsed_2ld8 1
1 2ld8.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 36 parsed_2ld8 1
1 2ld8.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ld8 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2ld8
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . . 3 . O4' . 3 . C1' . 3 . N9 . 3 . C4 parsed_2ld8 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . . 4 . O4' . 4 . C1' . 4 . N9 . 4 . C4 parsed_2ld8 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . . 5 . O4' . 5 . C1' . 5 . N9 . 5 . C4 parsed_2ld8 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . . 9 . O4' . 9 . C1' . 9 . N9 . 9 . C4 parsed_2ld8 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . . 10 . O4' . 10 . C1' . 10 . N9 . 10 . C4 parsed_2ld8 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . . 11 . O4' . 11 . C1' . 11 . N9 . 11 . C4 parsed_2ld8 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . . 15 . O4' . 15 . C1' . 15 . N9 . 15 . C4 parsed_2ld8 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . . 16 . O4' . 16 . C1' . 16 . N9 . 16 . C4 parsed_2ld8 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . . 17 . O4' . 17 . C1' . 17 . N9 . 17 . C4 parsed_2ld8 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . . 21 . O4' . 21 . C1' . 21 . N9 . 21 . C4 parsed_2ld8 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . . 22 . O4' . 22 . C1' . 22 . N9 . 22 . C4 parsed_2ld8 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 170.0 310.0 . . 23 . O4' . 23 . C1' . 23 . N9 . 23 . C4 parsed_2ld8 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 2 . H1' . 2 . C1' . 2 . N9 . 2 . C4 parsed_2ld8 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 3 . H1' . 3 . C1' . 3 . N9 . 3 . C4 parsed_2ld8 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 4 . H1' . 4 . C1' . 4 . N9 . 4 . C4 parsed_2ld8 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 5 . H1' . 5 . C1' . 5 . N9 . 5 . C4 parsed_2ld8 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 9 . H1' . 9 . C1' . 9 . N9 . 9 . C4 parsed_2ld8 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 10 . H1' . 10 . C1' . 10 . N9 . 10 . C4 parsed_2ld8 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 11 . H1' . 11 . C1' . 11 . N9 . 11 . C4 parsed_2ld8 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 15 . H1' . 15 . C1' . 15 . N9 . 15 . C4 parsed_2ld8 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 16 . H1' . 16 . C1' . 16 . N9 . 16 . C4 parsed_2ld8 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 17 . H1' . 17 . C1' . 17 . N9 . 17 . C4 parsed_2ld8 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 21 . H1' . 21 . C1' . 21 . N9 . 21 . C4 parsed_2ld8 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 22 . H1' . 22 . C1' . 22 . N9 . 22 . C4 parsed_2ld8 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 70.0 . . 23 . H1' . 23 . C1' . 23 . N9 . 23 . C4 parsed_2ld8 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . DNA1 3 . C4' DNA1 3 . C3' DNA1 3 . O3' DNA1 4 . P parsed_2ld8 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . DNA1 4 . C4' DNA1 4 . C3' DNA1 4 . O3' DNA1 5 . P parsed_2ld8 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . DNA1 5 . C4' DNA1 5 . C3' DNA1 5 . O3' DNA1 6 . P parsed_2ld8 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . DNA1 9 . C4' DNA1 9 . C3' DNA1 9 . O3' DNA1 10 . P parsed_2ld8 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . DNA1 10 . C4' DNA1 10 . C3' DNA1 10 . O3' DNA1 11 . P parsed_2ld8 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . DNA1 11 . C4' DNA1 11 . C3' DNA1 11 . O3' DNA1 12 . P parsed_2ld8 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . DNA1 15 . C4' DNA1 15 . C3' DNA1 15 . O3' DNA1 16 . P parsed_2ld8 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . DNA1 16 . C4' DNA1 16 . C3' DNA1 16 . O3' DNA1 17 . P parsed_2ld8 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . DNA1 17 . C4' DNA1 17 . C3' DNA1 17 . O3' DNA1 18 . P parsed_2ld8 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . DNA1 21 . C4' DNA1 21 . C3' DNA1 21 . O3' DNA1 22 . P parsed_2ld8 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 150.0 300.0 . DNA1 22 . C4' DNA1 22 . C3' DNA1 22 . O3' DNA1 23 . P parsed_2ld8 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 1 1 1 10 parsed_2ld8 1
stop_
save_
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