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 |
|
|
38206 |
1r2p   |
5962 | cing | 2-parsed | STAR | dihedral angle | 16 |
data_1r2p_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1r2p
_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_1r2p 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1r2p
_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 1r2p "Master copy" parsed_1r2p
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1r2p
_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 1r2p.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1r2p 1
1 1r2p.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 24 parsed_1r2p 1
1 1r2p.mr . . XPLOR/CNS 3 distance NOE simple 433 parsed_1r2p 1
1 1r2p.mr . . XPLOR/CNS 4 distance NOE simple 163 parsed_1r2p 1
1 1r2p.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 118 parsed_1r2p 1
1 1r2p.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 16 parsed_1r2p 1
1 1r2p.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1r2p 1
1 1r2p.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1r2p 1
1 1r2p.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1r2p 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1r2p
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.6 -23.6 . . 14 . C3' . 14 . O3' . 15 . P . 15 . O5' parsed_1r2p 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.1 -12.1 . . 14 . O3' . 15 . P . 15 . O5' . 15 . C5' parsed_1r2p 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.6 -23.6 . . 15 . C3' . 15 . O3' . 16 . P . 16 . O5' parsed_1r2p 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.1 -12.1 . . 15 . O3' . 16 . P . 16 . O5' . 16 . C5' parsed_1r2p 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.6 -23.6 . . 16 . C3' . 16 . O3' . 17 . P . 17 . O5' parsed_1r2p 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.1 -12.1 . . 16 . O3' . 17 . P . 17 . O5' . 17 . C5' parsed_1r2p 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.6 -23.6 . . 17 . C3' . 17 . O3' . 18 . P . 18 . O5' parsed_1r2p 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.1 -12.1 . . 17 . O3' . 18 . P . 18 . O5' . 18 . C5' parsed_1r2p 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.6 -23.6 . . 18 . C3' . 18 . O3' . 19 . P . 19 . O5' parsed_1r2p 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.1 -12.1 . . 18 . O3' . 19 . P . 19 . O5' . 19 . C5' parsed_1r2p 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.6 -23.6 . . 23 . C3' . 23 . O3' . 24 . P . 24 . O5' parsed_1r2p 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.1 -12.1 . . 23 . O3' . 24 . P . 24 . O5' . 24 . C5' parsed_1r2p 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.6 -23.6 . . 24 . C3' . 24 . O3' . 25 . P . 25 . O5' parsed_1r2p 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.1 -12.1 . . 24 . O3' . 25 . P . 25 . O5' . 25 . C5' parsed_1r2p 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -123.6 -23.6 . . 25 . C3' . 25 . O3' . 26 . P . 26 . O5' parsed_1r2p 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -112.1 -12.1 . . 25 . O3' . 26 . P . 26 . O5' . 26 . C5' parsed_1r2p 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 "* loop angles *" 2 1 2 1 parsed_1r2p 1
2 *zeta* 7 62 7 62 parsed_1r2p 1
3 *alpha* 12 62 12 62 parsed_1r2p 1
4 *zeta* 17 62 17 62 parsed_1r2p 1
5 *alpha* 22 62 22 62 parsed_1r2p 1
6 *zeta* 27 62 27 62 parsed_1r2p 1
7 *alpha* 32 62 32 62 parsed_1r2p 1
8 *zeta* 37 62 37 62 parsed_1r2p 1
9 *alpha* 42 62 42 62 parsed_1r2p 1
10 *zeta* 47 62 47 62 parsed_1r2p 1
11 *alpha* 52 62 52 62 parsed_1r2p 1
12 *zeta* 57 62 57 62 parsed_1r2p 1
13 *alpha* 62 62 62 62 parsed_1r2p 1
14 *zeta* 67 62 67 62 parsed_1r2p 1
15 *alpha* 72 62 72 62 parsed_1r2p 1
16 *zeta* 77 62 77 62 parsed_1r2p 1
17 *alpha* 82 62 82 62 parsed_1r2p 1
stop_
save_
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