NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | item_count |
|
|
29221 |
1amb   |
cing | 2-parsed | STAR | dihedral angle | 2 |
data_1amb_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1amb
_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_1amb 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1amb
_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 1amb "Master copy" parsed_1amb
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1amb
_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 1amb.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . XPLOR/CNS 3 distance NOE simple 51 parsed_1amb 1
1 1amb.mr . . n/a 4 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . XPLOR/CNS 5 distance NOE simple 144 parsed_1amb 1
1 1amb.mr . . n/a 6 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . XPLOR/CNS 7 distance NOE simple 47 parsed_1amb 1
1 1amb.mr . . n/a 8 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . XPLOR/CNS 9 distance "hydrogen bond" simple 16 parsed_1amb 1
1 1amb.mr . . n/a 10 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . XPLOR/CNS 11 distance "hydrogen bond" simple 18 parsed_1amb 1
1 1amb.mr . . n/a 12 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . XPLOR/CNS 13 distance "hydrogen bond" simple 12 parsed_1amb 1
1 1amb.mr . . n/a 14 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . XPLOR/CNS 15 "dihedral angle" "Not applicable" "Not applicable" 27 parsed_1amb 1
1 1amb.mr . . n/a 16 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . XPLOR/CNS 17 "dihedral angle" "Not applicable" "Not applicable" 2 parsed_1amb 1
1 1amb.mr . . n/a 18 comment "Not applicable" "Not applicable" 0 parsed_1amb 1
1 1amb.mr . . "MR format" 19 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1amb 1
stop_
save_
save_CNS/XPLOR_dihedral_17
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1amb
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 17
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0-$DELTA11 -180.0+$DELTA11 . . 12 . HA . 12 . CA . 12 . CB . 12 . HB parsed_1amb 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -180.0-$DELTA10 -180.0+$DELTA10 . . 24 . HA . 24 . CA . 24 . CB . 24 . HB parsed_1amb 1
stop_
save_
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