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 |
|
|
584223 |
2mjq   |
11551 | cing | 2-parsed | STAR | dihedral angle | 12 |
data_2mjq_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mjq
_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_2mjq 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mjq
_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 2mjq "Master copy" parsed_2mjq
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mjq
_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 2mjq.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mjq 1
1 2mjq.mr . . XPLOR/CNS 2 distance NOE simple 127 parsed_2mjq 1
1 2mjq.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 12 parsed_2mjq 1
1 2mjq.mr . . XPLOR/CNS 4 distance "general distance" simple 0 parsed_2mjq 1
1 2mjq.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mjq 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2mjq
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.00 -31.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_2mjq 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -11.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_2mjq 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.00 -30.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_2mjq 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -11.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_2mjq 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -92.00 -32.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_2mjq 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.00 -11.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_2mjq 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.00 -36.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_2mjq 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 -12.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_2mjq 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.00 -29.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_2mjq 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -76.00 -16.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_2mjq 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.00 -34.00 . . 7 . C . 8 . N . 8 . CA . 8 . C parsed_2mjq 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 -13.00 . . 8 . N . 8 . CA . 8 . C . 9 . N parsed_2mjq 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 "PHI 3" 1 1 1 8 parsed_2mjq 1
2 "PSI 3" 4 1 4 8 parsed_2mjq 1
3 "PHI 4" 7 1 7 8 parsed_2mjq 1
4 "PSI 4" 10 1 10 8 parsed_2mjq 1
5 "PHI 5" 13 1 13 8 parsed_2mjq 1
6 "PSI 5" 16 1 16 8 parsed_2mjq 1
7 "PHI 6" 19 1 19 8 parsed_2mjq 1
8 "PSI 6" 22 1 22 8 parsed_2mjq 1
9 "PHI 7" 25 1 25 8 parsed_2mjq 1
10 "PSI 7" 28 1 28 8 parsed_2mjq 1
11 "PHI 8" 31 1 31 8 parsed_2mjq 1
12 "PSI 8" 34 1 34 8 parsed_2mjq 1
stop_
save_
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