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 |
|
|
611832 |
2nal   |
25941 | cing | 2-parsed | STAR | dihedral angle | 12 |
data_2nal_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2nal
_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_2nal 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2nal
_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 2nal "Master copy" parsed_2nal
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2nal
_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 2nal.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2nal 1
1 2nal.mr . . DYANA/DIANA 2 distance NOE simple 311 parsed_2nal 1
1 2nal.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 12 parsed_2nal 1
1 2nal.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 0 parsed_2nal 1
1 2nal.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2nal 1
stop_
save_
save_DYANA/DIANA_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_2nal
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -96.6 -36.6 . . 2 LEU . . . . . . . . . . . . . parsed_2nal 1
2 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -56.0 4.0 . . 2 LEU . . . . . . . . . . . . . parsed_2nal 1
3 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -89.2 -49.2 . . 5 LYS . . . . . . . . . . . . . parsed_2nal 1
4 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.3 -13.3 . . 5 LYS . . . . . . . . . . . . . parsed_2nal 1
5 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -88.9 -48.9 . . 6 ILE . . . . . . . . . . . . . parsed_2nal 1
6 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -53.5 -13.5 . . 6 ILE . . . . . . . . . . . . . parsed_2nal 1
7 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.2 -47.2 . . 7 ARG . . . . . . . . . . . . . parsed_2nal 1
8 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.7 -10.7 . . 7 ARG . . . . . . . . . . . . . parsed_2nal 1
9 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -93.1 -53.1 . . 8 GLN . . . . . . . . . . . . . parsed_2nal 1
10 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.7 -10.7 . . 8 GLN . . . . . . . . . . . . . parsed_2nal 1
11 PHI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -94.2 -54.2 . . 9 VAL . . . . . . . . . . . . . parsed_2nal 1
12 PSI . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -50.8 -10.8 . . 9 VAL . . . . . . . . . . . . . parsed_2nal 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 L -66.574 -26.023 7.375 9.940 2.407 0.736 10 12 Generous" 1 1 1 74 parsed_2nal 1
2 "5 K -69.166 -33.325 5.030 6.290 0.892 0.764 25 12 Strong" 5 1 5 72 parsed_2nal 1
3 "6 I -68.933 -33.523 6.594 6.075 0.809 0.782 25 12 Strong" 9 1 9 72 parsed_2nal 1
4 "7 R -67.157 -30.721 4.398 7.315 0.712 0.804 25 14 Strong" 13 1 13 72 parsed_2nal 1
5 "8 Q -73.131 -30.664 9.455 8.754 0.744 0.797 25 15 Strong" 17 1 17 72 parsed_2nal 1
6 "9 V -74.208 -30.785 8.608 9.542 0.852 0.770 25 14 Strong" 21 1 21 72 parsed_2nal 1
stop_
save_
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