NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
32894 |
1hdl   |
4910 | cing | recoord | 2-parsed | STAR | dihedral angle | 14 |
data_1hdl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1hdl
_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_1hdl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1hdl
_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 1hdl "Master copy" parsed_1hdl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1hdl
_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 1hdl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1hdl 1
1 1hdl.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1hdl 1
1 1hdl.mr . . XPLOR/CNS 3 distance NOE simple 523 parsed_1hdl 1
1 1hdl.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 14 parsed_1hdl 1
1 1hdl.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1hdl 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1hdl
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 2 . C . 3 . N . 3 . CA . 3 . C parsed_1hdl 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1hdl 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 12 . C . 13 . N . 13 . CA . 13 . C parsed_1hdl 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 13 . C . 14 . N . 14 . CA . 14 . C parsed_1hdl 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 15 . C . 16 . N . 16 . CA . 16 . C parsed_1hdl 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 18 . C . 19 . N . 19 . CA . 19 . C parsed_1hdl 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160 -80 . . 20 . C . 21 . N . 21 . CA . 21 . C parsed_1hdl 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 25 . C . 26 . N . 26 . CA . 26 . C parsed_1hdl 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1hdl 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 27 . C . 28 . N . 28 . CA . 28 . C parsed_1hdl 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1hdl 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1hdl 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 45 . C . 46 . N . 46 . CA . 46 . C parsed_1hdl 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80 -40 . . 51 . C . 52 . N . 52 . CA . 52 . C parsed_1hdl 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 "J( 3) = 5.49" 2 75 2 91 parsed_1hdl 1
2 "J( 12) = 3.67" 4 75 4 91 parsed_1hdl 1
3 "J( 13) = 3.76" 6 75 6 91 parsed_1hdl 1
4 "J( 14) = 9.13" 8 75 8 91 parsed_1hdl 1
5 "J( 16) = 8.60" 10 75 10 91 parsed_1hdl 1
6 "J( 19) = 9.65" 12 75 12 91 parsed_1hdl 1
7 "J( 21) = 9.79" 14 75 14 91 parsed_1hdl 1
8 "J( 26) = 3.33" 16 75 16 91 parsed_1hdl 1
9 "J( 27) = 3.46" 18 75 18 91 parsed_1hdl 1
10 "J( 28) = 5.99" 20 75 20 91 parsed_1hdl 1
11 "J( 42) = 3.84" 22 75 22 91 parsed_1hdl 1
12 "J( 43) = 5.15" 24 75 24 91 parsed_1hdl 1
13 "J( 46) = 4.53" 26 75 26 91 parsed_1hdl 1
14 "J( 52) = 5.77" 28 75 28 91 parsed_1hdl 1
stop_
save_
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