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 |
|
|
611823 |
2na3   |
25926 | cing | 2-parsed | STAR | dihedral angle | 16 |
data_2na3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2na3
_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_2na3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2na3
_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 2na3 "Master copy" parsed_2na3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2na3
_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 2na3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2na3 1
1 2na3.mr . . DYANA/DIANA 2 distance NOE simple 229 parsed_2na3 1
1 2na3.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 16 parsed_2na3 1
1 2na3.mr . . DYANA/DIANA 4 "dihedral angle" "Not applicable" "Not applicable" 16 parsed_2na3 1
1 2na3.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2na3 1
stop_
save_
save_DYANA/DIANA_dihedral_4
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2na3
_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 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.0 -48.0 . . 2 ARG . . . . . . . . . . . . . parsed_2na3 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 116.3 163.1 . . 2 ARG . . . . . . . . . . . . . parsed_2na3 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -35.0 . . 3 ILE . . . . . . . . . . . . . parsed_2na3 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -59.3 0.7 . . 3 ILE . . . . . . . . . . . . . parsed_2na3 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.8 -46.8 . . 4 VAL . . . . . . . . . . . . . parsed_2na3 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -48.7 -8.7 . . 4 VAL . . . . . . . . . . . . . parsed_2na3 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 5 GLN . . . . . . . . . . . . . parsed_2na3 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -46.8 -6.1 . . 5 GLN . . . . . . . . . . . . . parsed_2na3 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.4 -48.4 . . 8 LYS . . . . . . . . . . . . . parsed_2na3 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -49.8 -9.8 . . 8 LYS . . . . . . . . . . . . . parsed_2na3 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.7 -50.7 . . 9 ASP . . . . . . . . . . . . . parsed_2na3 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -40.7 -0.7 . . 9 ASP . . . . . . . . . . . . . parsed_2na3 1
13 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -141.5 -54.5 . . 10 PHE . . . . . . . . . . . . . parsed_2na3 1
14 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -72.5 41.5 . . 10 PHE . . . . . . . . . . . . . parsed_2na3 1
15 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -153.8 -23.3 . . 11 LEU . . . . . . . . . . . . . parsed_2na3 1
16 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 71.5 174.0 . . 11 LEU . . . . . . . . . . . . . parsed_2na3 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 "2 R -67.961 139.699 9.080 11.688 0.869 0.688 25 8 Strong" 1 1 1 72 parsed_2na3 1
2 "3 I -64.950 -29.293 6.018 5.490 1.090 0.717 10 8 Generous" 5 1 5 74 parsed_2na3 1
3 "4 V -66.765 -28.684 4.286 7.113 1.402 0.769 25 8 Strong" 9 1 9 72 parsed_2na3 1
4 "5 Q -69.994 -26.494 4.608 10.177 1.426 0.817 25 10 Strong" 13 1 13 72 parsed_2na3 1
5 "8 K -68.379 -29.797 5.095 6.263 2.188 0.779 25 8 Strong" 17 1 17 72 parsed_2na3 1
6 "9 D -70.719 -20.708 6.668 9.258 2.173 0.765 25 8 Strong" 21 1 21 72 parsed_2na3 1
7 "10 F -98.013 -15.479 14.509 18.998 1.949 0.743 10 9 Generous" 25 1 25 74 parsed_2na3 1
8 "11 L -88.558 122.730 21.757 17.076 2.837 0.724 10 9 Generous" 29 1 29 74 parsed_2na3 1
stop_
save_
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