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 |
|
|
649946 |
6nm3   |
30558 | cing | 2-parsed | STAR | dihedral angle | 10 |
data_6nm3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6nm3
_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_6nm3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6nm3
_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 6nm3 "Master copy" parsed_6nm3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6nm3
_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 6nm3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6nm3 1
1 6nm3.mr . . XPLOR/CNS 2 distance NOE simple 135 parsed_6nm3 1
1 6nm3.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 10 parsed_6nm3 1
1 6nm3.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6nm3 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6nm3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.00 -19.00 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_6nm3 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.00 20.00 . . 3 . N . 3 . CA . 3 . C . 4 . N parsed_6nm3 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -119.00 -39.00 . . 3 . C . 4 . N . 4 . CA . 4 . C parsed_6nm3 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.00 28.00 . . 4 . N . 4 . CA . 4 . C . 5 . N parsed_6nm3 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -138.00 -58.00 . . 4 . C . 5 . N . 5 . CA . 5 . C parsed_6nm3 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.00 21.00 . . 5 . N . 5 . CA . 5 . C . 6 . N parsed_6nm3 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.00 -30.00 . . 5 . C . 6 . N . 6 . CA . 6 . C parsed_6nm3 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -67.00 13.00 . . 6 . N . 6 . CA . 6 . C . 7 . N parsed_6nm3 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -117.00 -37.00 . . 6 . C . 7 . N . 7 . CA . 7 . C parsed_6nm3 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -73.00 7.00 . . 7 . N . 7 . CA . 7 . C . 8 . N parsed_6nm3 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 and phi angles for d219 March 23 2018
! 3
;
1 1 3 5 parsed_6nm3 1
2 "! 4" 7 72 9 5 parsed_6nm3 1
3 "! 5" 13 72 15 5 parsed_6nm3 1
4 "! 6" 19 72 21 11 parsed_6nm3 1
5 "! 7" 25 72 27 5 parsed_6nm3 1
6 END 31 72 33 5 parsed_6nm3 1
stop_
save_
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