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 |
|
|
35366 |
1ld6   |
5375 | cing | recoord | 2-parsed | STAR | dihedral angle | 9 |
data_1ld6_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ld6
_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_1ld6 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ld6
_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 1ld6 "Master copy" parsed_1ld6
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ld6
_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 1ld6.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ld6 1
1 1ld6.mr . . XPLOR/CNS 2 distance NOE simple 1396 parsed_1ld6 1
1 1ld6.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 34 parsed_1ld6 1
1 1ld6.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 9 parsed_1ld6 1
1 1ld6.mr . . XPLOR/CNS 5 "coupling constant" "Not applicable" "Not applicable" 0 parsed_1ld6 1
1 1ld6.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ld6 1
stop_
save_
save_CNS/XPLOR_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1ld6
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 105.0 . . 4 . n . 4 . ca . 4 . cb . 4 . cg parsed_1ld6 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 105.0 . . 22 . n . 22 . ca . 22 . cb . 22 . cg parsed_1ld6 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 23 . n . 23 . ca . 23 . cb . 23 . cg parsed_1ld6 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 24 . n . 24 . ca . 24 . cb . 24 . cg parsed_1ld6 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 30 . n . 30 . ca . 30 . cb . 30 . sg parsed_1ld6 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 43 . n . 43 . ca . 43 . cb . 43 . cg parsed_1ld6 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -105.0 -15.0 . . 45 . n . 45 . ca . 45 . cb . 45 . cg parsed_1ld6 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 15.0 105.0 . . 47 . n . 47 . ca . 47 . cb . 47 . og parsed_1ld6 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 135.0 225.0 . . 51 . n . 51 . ca . 51 . cb . 51 . sg parsed_1ld6 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 "!Phe-4 +60" 2 1 2 15 parsed_1ld6 1
2 "!Phe-22 +60" 5 1 5 15 parsed_1ld6 1
3 "!Tyr-23 +180" 8 1 8 16 parsed_1ld6 1
4 "!Asn-24 +180" 11 1 11 16 parsed_1ld6 1
5 "!Cys-30 -60" 14 1 14 15 parsed_1ld6 1
6 "!Asn-43 +180" 17 1 17 16 parsed_1ld6 1
7 "!Phe-45 -60" 20 1 20 15 parsed_1ld6 1
8 "!Ser-47 +60" 23 1 23 15 parsed_1ld6 1
9 "!Cys-51 +180" 26 1 26 16 parsed_1ld6 1
stop_
save_
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