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 |
|
|
34891 |
1kos   |
4984 | cing | 2-parsed | STAR | dihedral angle | 4 |
data_1kos_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1kos
_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_1kos 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1kos
_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 1kos "Master copy" parsed_1kos
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1kos
_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 1kos.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1kos 1
1 1kos.mr . . XPLOR/CNS 2 distance NOE simple 252 parsed_1kos 1
1 1kos.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 26 parsed_1kos 1
1 1kos.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1kos 1
1 1kos.mr . . XPLOR/CNS 5 "dihedral angle" "Not applicable" "Not applicable" 10 parsed_1kos 1
1 1kos.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1kos 1
1 1kos.mr . . XPLOR/CNS 7 "dihedral angle" "Not applicable" "Not applicable" 13 parsed_1kos 1
1 1kos.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 3 parsed_1kos 1
1 1kos.mr . . XPLOR/CNS 9 stereochemistry chirality "Not applicable" 0 parsed_1kos 1
1 1kos.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1kos 1
1 1kos.mr . . XPLOR/CNS 11 "dihedral angle" "Not applicable" "Not applicable" 2 parsed_1kos 1
1 1kos.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1kos 1
1 1kos.mr . . XPLOR/CNS 13 "dihedral angle" "Not applicable" "Not applicable" 4 parsed_1kos 1
1 1kos.mr . . "MR format" 14 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1kos 1
stop_
save_
save_CNS/XPLOR_dihedral_13
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1kos
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 13
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin . H41 . $namin . N4 . $namin . C4 . $namin . N3 parsed_1kos 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin . H42 . $namin . N4 . $namin . C4 . $namin . C5 parsed_1kos 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin . H61 . $namin . N6 . $namin . C6 . $namin . N1 parsed_1kos 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -3.0 3.0 . . $namin . H62 . $namin . N6 . $namin . C6 . $namin . C5 parsed_1kos 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 "message=on echo=on" 48 1 48 26 parsed_1kos 1
stop_
loop_
_TA_constraint_parse_err.ID
_TA_constraint_parse_err.Content
_TA_constraint_parse_err.Begin_line
_TA_constraint_parse_err.Begin_column
_TA_constraint_parse_err.End_line
_TA_constraint_parse_err.End_column
_TA_constraint_parse_err.Entry_ID
_TA_constraint_parse_err.Torsion_angle_constraint_list_ID
1
;
for $namin in (1 8 12 13 15) loop amino
restraints dihedral
scale= 1.0
;
1 1 5 11 parsed_1kos 1
2
;
end
end loop amino
for $namin in (10 14 16) loop amino
restraints dihedral
scale= 1.0
;
19 1 28 11 parsed_1kos 1
3
;
end
end loop amino
;
43 1 45 14 parsed_1kos 1
stop_
save_
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