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 | subtype | subsubtype | item_count |
|
|
38081 |
1qrj   |
4311 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 8 |
data_1qrj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1qrj
_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_1qrj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1qrj
_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 1qrj "Master copy" parsed_1qrj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1qrj
_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 1qrj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 2 distance NOE simple 62 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 16 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 4 distance NOE simple 158 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 5 distance "hydrogen bond" simple 18 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 6 distance NOE simple 166 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 7 distance "hydrogen bond" simple 14 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 8 distance NOE simple 124 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 9 distance "hydrogen bond" simple 34 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 10 distance NOE simple 395 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 11 distance "hydrogen bond" simple 26 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 12 distance NOE simple 661 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 13 distance "hydrogen bond" simple 18 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 14 distance NOE simple 209 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 15 distance "hydrogen bond" simple 14 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 16 distance NOE simple 111 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 17 distance "hydrogen bond" simple 8 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 18 distance NOE simple 117 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 19 distance "hydrogen bond" simple 8 parsed_1qrj 1
1 1qrj.mr . . DYANA/DIANA 20 distance NOE simple 0 parsed_1qrj 1
1 1qrj.mr . . "MR format" 21 comment "Not applicable" "Not applicable" 0 parsed_1qrj 1
1 1qrj.mr . . "MR format" 22 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1qrj 1
stop_
save_
save_DYANA/DIANA_distance_constraints_19
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1qrj
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 19
_Distance_constraint_list.Details "Generated by Wattos"
loop_
_Dist_constraint_tree.Constraint_ID
_Dist_constraint_tree.Node_ID
_Dist_constraint_tree.Down_node_ID
_Dist_constraint_tree.Right_node_ID
_Dist_constraint_tree.Logic_operation
_Dist_constraint_tree.Entry_ID
_Dist_constraint_tree.Distance_constraint_list_ID
1 1 . . . parsed_1qrj 1
2 1 . . . parsed_1qrj 1
3 1 . . . parsed_1qrj 1
4 1 . . . parsed_1qrj 1
5 1 . . . parsed_1qrj 1
6 1 . . . parsed_1qrj 1
7 1 . . . parsed_1qrj 1
8 1 . . . parsed_1qrj 1
stop_
loop_
_Dist_constraint.Tree_node_member_constraint_ID
_Dist_constraint.Tree_node_member_node_ID
_Dist_constraint.Constraint_tree_node_member_ID
_Dist_constraint.Assembly_atom_ID
_Dist_constraint.Entity_assembly_ID
_Dist_constraint.Entity_ID
_Dist_constraint.Comp_index_ID
_Dist_constraint.Seq_ID
_Dist_constraint.Comp_ID
_Dist_constraint.Atom_ID
_Dist_constraint.Resonance_ID
_Dist_constraint.Auth_asym_ID
_Dist_constraint.Auth_seq_ID
_Dist_constraint.Auth_comp_ID
_Dist_constraint.Auth_atom_ID
_Dist_constraint.Entry_ID
_Dist_constraint.Distance_constraint_list_ID
1 1 1 . . . . . . . . . 196 GLY O parsed_1qrj 1
1 1 2 . . . . . . . . . 200 ARG+ HN parsed_1qrj 1
2 1 1 . . . . . . . . . 196 GLY O parsed_1qrj 1
2 1 2 . . . . . . . . . 200 ARG+ N parsed_1qrj 1
3 1 1 . . . . . . . . . 197 ASP- O parsed_1qrj 1
3 1 2 . . . . . . . . . 201 ALA HN parsed_1qrj 1
4 1 1 . . . . . . . . . 197 ASP- O parsed_1qrj 1
4 1 2 . . . . . . . . . 201 ALA N parsed_1qrj 1
5 1 1 . . . . . . . . . 198 MET O parsed_1qrj 1
5 1 2 . . . . . . . . . 202 CYS HN parsed_1qrj 1
6 1 1 . . . . . . . . . 198 MET O parsed_1qrj 1
6 1 2 . . . . . . . . . 202 CYS N parsed_1qrj 1
7 1 1 . . . . . . . . . 199 LEU O parsed_1qrj 1
7 1 2 . . . . . . . . . 203 GLN HN parsed_1qrj 1
8 1 1 . . . . . . . . . 199 LEU O parsed_1qrj 1
8 1 2 . . . . . . . . . 203 GLN N parsed_1qrj 1
stop_
loop_
_Dist_constraint_value.Constraint_ID
_Dist_constraint_value.Tree_node_ID
_Dist_constraint_value.Source_experiment_ID
_Dist_constraint_value.Spectral_peak_ID
_Dist_constraint_value.Intensity_val
_Dist_constraint_value.Intensity_lower_val_err
_Dist_constraint_value.Intensity_upper_val_err
_Dist_constraint_value.Distance_val
_Dist_constraint_value.Distance_lower_bound_val
_Dist_constraint_value.Distance_upper_bound_val
_Dist_constraint_value.Entry_ID
_Dist_constraint_value.Distance_constraint_list_ID
1 1 . . . . . . . 2.4 parsed_1qrj 1
2 1 . . . . . . . 3.2 parsed_1qrj 1
3 1 . . . . . . . 2.4 parsed_1qrj 1
4 1 . . . . . . . 3.2 parsed_1qrj 1
5 1 . . . . . . . 2.4 parsed_1qrj 1
6 1 . . . . . . . 3.2 parsed_1qrj 1
7 1 . . . . . . . 2.4 parsed_1qrj 1
8 1 . . . . . . . 3.2 parsed_1qrj 1
stop_
loop_
_Dist_constraint_comment_org.ID
_Dist_constraint_comment_org.Comment_text
_Dist_constraint_comment_org.Comment_begin_line
_Dist_constraint_comment_org.Comment_begin_column
_Dist_constraint_comment_org.Comment_end_line
_Dist_constraint_comment_org.Comment_end_column
_Dist_constraint_comment_org.Entry_ID
_Dist_constraint_comment_org.Distance_constraint_list_ID
1 9&9-9&9-9&9-9&9-9&9-9&9-9&9-9&9-9&9-9&9-9&9-9&9% 1 1 1 49 parsed_1qrj 1
2 "~~~~~~~~~~~~~HELIX-IX (195-203)~~~~~~~~~~~" 2 1 2 43 parsed_1qrj 1
3 "##############################################" 3 1 3 48 parsed_1qrj 1
4 CS=>195-202or203 4 1 4 17 parsed_1qrj 1
5 "Possible OHS193 N-capping of HN196(S-P cap)" 5 1 5 44 parsed_1qrj 1
6 "------------ H-bonds ------------------" 6 1 6 40 parsed_1qrj 1
7 "195 LEU O 199 LEU HN 2.4" 7 1 7 35 parsed_1qrj 1
8 "195 LEU O 199 LEU N 3.2" 8 1 8 34 parsed_1qrj 1
stop_
save_
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