Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
553916 | 2ls0 RC | 18404 | cing | 2-parsed | STAR | distance | general distance | ambi | 12 |
data_2ls0_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ls0
_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_2ls0 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ls0
_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 2ls0 "Master copy" parsed_2ls0
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ls0
_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 2ls0.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ls0 1
1 2ls0.mr . . XPLOR/CNS 2 distance NOE simple 1954 parsed_2ls0 1
1 2ls0.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 67 parsed_2ls0 1
1 2ls0.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 187 parsed_2ls0 1
1 2ls0.mr . . XPLOR/CNS 5 "coupling constant" "Not applicable" "Not applicable" 0 parsed_2ls0 1
1 2ls0.mr . . XPLOR/CNS 6 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2ls0 1
1 2ls0.mr . . XPLOR/CNS 7 "chemical shift" "Not applicable" "Not applicable" 0 parsed_2ls0 1
1 2ls0.mr . . XPLOR/CNS 8 distance "general distance" ambi 12 parsed_2ls0 1
1 2ls0.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ls0 1
stop_
save_
save_CNS/XPLOR_distance_constraints_8
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ls0
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "general distance"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 8
_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_2ls0 1
2 1 . . . parsed_2ls0 1
3 1 . . . parsed_2ls0 1
4 1 . . . parsed_2ls0 1
5 1 . . . parsed_2ls0 1
6 1 . . . parsed_2ls0 1
7 1 . . . parsed_2ls0 1
8 1 . . . parsed_2ls0 1
9 1 . . . parsed_2ls0 1
10 1 . . . parsed_2ls0 1
11 1 . . . parsed_2ls0 1
12 1 . . . parsed_2ls0 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 . . . . . . . . . 22 . HB2 parsed_2ls0 1
1 1 2 . . . . . . . . . 126 . CD2 parsed_2ls0 1
1 1 2 . . . . . . . . . 126 . CE1 parsed_2ls0 1
2 1 1 . . . . . . . . . 24 . HB1 parsed_2ls0 1
2 1 2 . . . . . . . . . 81 . CD2 parsed_2ls0 1
2 1 2 . . . . . . . . . 81 . CE1 parsed_2ls0 1
3 1 1 . . . . . . . . . 30 . HB2 parsed_2ls0 1
3 1 2 . . . . . . . . . 50 . CD1 parsed_2ls0 1
3 1 2 . . . . . . . . . 50 . CD2 parsed_2ls0 1
3 1 2 . . . . . . . . . 50 . CE2 parsed_2ls0 1
4 1 1 . . . . . . . . . 31 . HB2 parsed_2ls0 1
4 1 2 . . . . . . . . . 36 . CD1 parsed_2ls0 1
4 1 2 . . . . . . . . . 36 . CH2 parsed_2ls0 1
4 1 2 . . . . . . . . . 36 . CZ3 parsed_2ls0 1
5 1 1 . . . . . . . . . 31 . HG2 parsed_2ls0 1
5 1 2 . . . . . . . . . 36 . CD1 parsed_2ls0 1
5 1 2 . . . . . . . . . 36 . CH2 parsed_2ls0 1
5 1 2 . . . . . . . . . 36 . CZ3 parsed_2ls0 1
6 1 1 . . . . . . . . . 32 . HD1# parsed_2ls0 1
6 1 2 . . . . . . . . . 50 . CD1 parsed_2ls0 1
6 1 2 . . . . . . . . . 50 . CH2 parsed_2ls0 1
6 1 2 . . . . . . . . . 50 . CZ3 parsed_2ls0 1
7 1 1 . . . . . . . . . 39 . HG# parsed_2ls0 1
7 1 2 . . . . . . . . . 48 . CD2 parsed_2ls0 1
7 1 2 . . . . . . . . . 48 . CE1 parsed_2ls0 1
8 1 1 . . . . . . . . . 55 . HD# parsed_2ls0 1
8 1 2 . . . . . . . . . 108 . CD2 parsed_2ls0 1
8 1 2 . . . . . . . . . 108 . CE1 parsed_2ls0 1
9 1 1 . . . . . . . . . 65 . HA parsed_2ls0 1
9 1 2 . . . . . . . . . 80 . CD2 parsed_2ls0 1
9 1 2 . . . . . . . . . 80 . CE1 parsed_2ls0 1
10 1 1 . . . . . . . . . 105 . HB2 parsed_2ls0 1
10 1 2 . . . . . . . . . 115 . CD1 parsed_2ls0 1
10 1 2 . . . . . . . . . 115 . CH2 parsed_2ls0 1
10 1 2 . . . . . . . . . 115 . CZ3 parsed_2ls0 1
11 1 1 . . . . . . . . . 105 . HG# parsed_2ls0 1
11 1 2 . . . . . . . . . 115 . CD1 parsed_2ls0 1
11 1 2 . . . . . . . . . 115 . CH2 parsed_2ls0 1
11 1 2 . . . . . . . . . 115 . CZ3 parsed_2ls0 1
12 1 1 . . . . . . . . . 106 . HG1# parsed_2ls0 1
12 1 2 . . . . . . . . . 108 . CD2 parsed_2ls0 1
12 1 2 . . . . . . . . . 108 . CE1 parsed_2ls0 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 . . . . . 2.5 2.5 4.0 parsed_2ls0 1
2 1 . . . . . 2.5 2.5 4.0 parsed_2ls0 1
3 1 . . . . . 2.5 2.5 4.0 parsed_2ls0 1
4 1 . . . . . 2.0 2.0 3.5 parsed_2ls0 1
5 1 . . . . . 2.0 2.0 3.5 parsed_2ls0 1
6 1 . . . . . 2.0 2.0 3.5 parsed_2ls0 1
7 1 . . . . . 2.0 2.0 3.5 parsed_2ls0 1
8 1 . . . . . 2.5 2.5 4.0 parsed_2ls0 1
9 1 . . . . . 2.5 2.5 4.0 parsed_2ls0 1
10 1 . . . . . 2.0 2.0 3.5 parsed_2ls0 1
11 1 . . . . . 2.0 2.0 3.5 parsed_2ls0 1
12 1 . . . . . 2.5 2.5 4.0 parsed_2ls0 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
;
center average distance constraints to force protons over
aromatic ring currents. MUST use CENTER averaging for these
K22 HB2 over Y126 ring
;
1 1 4 24 parsed_2ls0 1
2 "Y24 HB1 over F81 ring" 7 1 7 23 parsed_2ls0 1
3 "Q30 HB2 over W50 5-ring" 10 1 10 25 parsed_2ls0 1
4 "K31 over W36 ring" 13 1 13 19 parsed_2ls0 1
5 "I32 over W50 ring" 17 1 17 21 parsed_2ls0 1
6 "R39 over F48 ring" 20 1 20 21 parsed_2ls0 1
7 "I55 methyl HD# over F108 ring" 23 1 23 31 parsed_2ls0 1
8 "S65 HA over Y80 ring" 26 1 26 22 parsed_2ls0 1
9 "Q105 over W115 ring" 29 1 29 21 parsed_2ls0 1
10 "V106 over 108 ring" 33 1 33 20 parsed_2ls0 1
stop_
save_