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 |
|
|
640118 |
6rsm   |
34406 | cing | 2-parsed | STAR | dihedral angle | 8 |
data_6rsm_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_6rsm
_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_6rsm 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_6rsm
_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 6rsm "Master copy" parsed_6rsm
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_6rsm
_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 6rsm.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_6rsm 1
1 6rsm.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 8 parsed_6rsm 1
1 6rsm.mr . . DYANA/DIANA 3 distance NOE simple 0 parsed_6rsm 1
1 6rsm.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 0 parsed_6rsm 1
1 6rsm.mr . . DYANA/DIANA 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_6rsm 1
1 6rsm.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_6rsm 1
stop_
save_
save_DYANA/DIANA_dihedral_2
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_6rsm
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 2
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -80.8 -40.8 . . 7 TRP . . . . . . . . . . . . . parsed_6rsm 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -51.6 -11.6 . . 7 TRP . . . . . . . . . . . . . parsed_6rsm 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.2 -44.2 . . 8 LYS . . . . . . . . . . . . . parsed_6rsm 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -52.9 -12.9 . . 8 LYS . . . . . . . . . . . . . parsed_6rsm 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.6 -51.6 . . 9 SER . . . . . . . . . . . . . parsed_6rsm 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -42.2 -2.2 . . 9 SER . . . . . . . . . . . . . parsed_6rsm 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -107.3 -56.5 . . 10 PHE . . . . . . . . . . . . . parsed_6rsm 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -44.5 4.0 . . 10 PHE . . . . . . . . . . . . . parsed_6rsm 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 "Restraints file 1: talos-n.aco" 1 1 1 32 parsed_6rsm 1
2 "7 W -60.790 -31.572 5.452 7.580 0.419 0.691 25 15 Strong" 3 1 3 72 parsed_6rsm 1
3 "8 K -64.246 -32.876 6.633 8.456 0.421 0.765 25 15 Strong" 7 1 7 72 parsed_6rsm 1
4 "9 S -71.580 -22.191 9.275 8.391 0.380 0.763 25 15 Strong" 11 1 11 72 parsed_6rsm 1
5 "10 F -81.865 -20.284 12.704 12.129 0.385 0.741 25 15 Strong" 15 1 15 72 parsed_6rsm 1
stop_
save_
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