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 | subtype | subsubtype | item_count |
|
|
31567 |
1eka   |
cing | 2-parsed | STAR | distance | hydrogen bond | simple | 20 |
data_1eka_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1eka
_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_1eka 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1eka
_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 1eka "Master copy" parsed_1eka
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1eka
_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 1eka.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1eka 1
1 1eka.mr . . DISCOVER 2 distance NOE simple 186 parsed_1eka 1
1 1eka.mr . . DISCOVER 3 distance "hydrogen bond" simple 20 parsed_1eka 1
1 1eka.mr . . DISCOVER 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1eka 1
1 1eka.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1eka 1
stop_
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1eka
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 3
_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_1eka 1
2 1 . . . parsed_1eka 1
3 1 . . . parsed_1eka 1
4 1 . . . parsed_1eka 1
5 1 . . . parsed_1eka 1
6 1 . . . parsed_1eka 1
7 1 . . . parsed_1eka 1
8 1 . . . parsed_1eka 1
9 1 . . . parsed_1eka 1
10 1 . . . parsed_1eka 1
11 1 . . . parsed_1eka 1
12 1 . . . parsed_1eka 1
13 1 . . . parsed_1eka 1
14 1 . . . parsed_1eka 1
15 1 . . . parsed_1eka 1
16 1 . . . parsed_1eka 1
17 1 . . . parsed_1eka 1
18 1 . . . parsed_1eka 1
19 1 . . . parsed_1eka 1
20 1 . . . parsed_1eka 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 . . . . . . . . 1 1 G5' O6 parsed_1eka 1
1 1 2 . . . . . . . . B 8 C3' N4 parsed_1eka 1
2 1 1 . . . . . . . . 1 1 G5' N1 parsed_1eka 1
2 1 2 . . . . . . . . B 8 C3' N3 parsed_1eka 1
3 1 1 . . . . . . . . 1 1 G5' N2 parsed_1eka 1
3 1 2 . . . . . . . . B 8 C3' O2 parsed_1eka 1
4 1 1 . . . . . . . . 1 3 G O6 parsed_1eka 1
4 1 2 . . . . . . . . B 6 C N4 parsed_1eka 1
5 1 1 . . . . . . . . 1 3 G N1 parsed_1eka 1
5 1 2 . . . . . . . . B 6 C N3 parsed_1eka 1
6 1 1 . . . . . . . . 1 3 G N2 parsed_1eka 1
6 1 2 . . . . . . . . B 6 C O2 parsed_1eka 1
7 1 1 . . . . . . . . 1 8 C3' N4 parsed_1eka 1
7 1 2 . . . . . . . . B 1 G5' O6 parsed_1eka 1
8 1 1 . . . . . . . . 1 8 C3' N3 parsed_1eka 1
8 1 2 . . . . . . . . B 1 G5' N1 parsed_1eka 1
9 1 1 . . . . . . . . 1 8 C3' O2 parsed_1eka 1
9 1 2 . . . . . . . . B 1 G5' N2 parsed_1eka 1
10 1 1 . . . . . . . . 1 6 C N4 parsed_1eka 1
10 1 2 . . . . . . . . B 3 G O6 parsed_1eka 1
11 1 1 . . . . . . . . 1 6 C N3 parsed_1eka 1
11 1 2 . . . . . . . . B 3 G N1 parsed_1eka 1
12 1 1 . . . . . . . . 1 6 C O2 parsed_1eka 1
12 1 2 . . . . . . . . B 3 G N2 parsed_1eka 1
13 1 1 . . . . . . . . 1 2 A N6 parsed_1eka 1
13 1 2 . . . . . . . . B 7 U O4 parsed_1eka 1
14 1 1 . . . . . . . . 1 2 A N1 parsed_1eka 1
14 1 2 . . . . . . . . B 7 U N3 parsed_1eka 1
15 1 1 . . . . . . . . 1 7 U O4 parsed_1eka 1
15 1 2 . . . . . . . . B 2 A N6 parsed_1eka 1
16 1 1 . . . . . . . . 1 7 U N3 parsed_1eka 1
16 1 2 . . . . . . . . B 2 A N1 parsed_1eka 1
17 1 1 . . . . . . . . 1 5 G O6 parsed_1eka 1
17 1 2 . . . . . . . . B 4 U N3 parsed_1eka 1
18 1 1 . . . . . . . . 1 5 G N1 parsed_1eka 1
18 1 2 . . . . . . . . B 4 U O2 parsed_1eka 1
19 1 1 . . . . . . . . 1 4 U N3 parsed_1eka 1
19 1 2 . . . . . . . . B 5 G O6 parsed_1eka 1
20 1 1 . . . . . . . . 1 4 U O2 parsed_1eka 1
20 1 2 . . . . . . . . B 5 G N1 parsed_1eka 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 . . . . . . 2.81 3.01 parsed_1eka 1
2 1 . . . . . . 2.85 3.05 parsed_1eka 1
3 1 . . . . . . 2.76 2.96 parsed_1eka 1
4 1 . . . . . . 2.81 3.01 parsed_1eka 1
5 1 . . . . . . 2.85 3.05 parsed_1eka 1
6 1 . . . . . . 2.76 2.96 parsed_1eka 1
7 1 . . . . . . 2.81 3.01 parsed_1eka 1
8 1 . . . . . . 2.85 3.05 parsed_1eka 1
9 1 . . . . . . 2.76 2.96 parsed_1eka 1
10 1 . . . . . . 2.81 3.01 parsed_1eka 1
11 1 . . . . . . 2.85 3.05 parsed_1eka 1
12 1 . . . . . . 2.76 2.96 parsed_1eka 1
13 1 . . . . . . 2.85 3.05 parsed_1eka 1
14 1 . . . . . . 2.72 2.92 parsed_1eka 1
15 1 . . . . . . 2.85 3.05 parsed_1eka 1
16 1 . . . . . . 2.72 2.92 parsed_1eka 1
17 1 . . . . . . 2.76 3.05 parsed_1eka 1
18 1 . . . . . . 2.76 3.05 parsed_1eka 1
19 1 . . . . . . 2.76 3.05 parsed_1eka 1
20 1 . . . . . . 2.76 3.05 parsed_1eka 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 "big atom restraints" 1 1 2 1 parsed_1eka 1
2 "A_U Watson_Crisk" 16 1 18 1 parsed_1eka 1
3
;
!!!!!!!!!!!!!!
*********
G_U Mismatch
;
24 1 28 1 parsed_1eka 1
stop_
save_
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