NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
561432 |
2luu   |
18541 | cing | 2-parsed | STAR | distance | hydrogen bond | simple |
data_2luu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2luu
_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_2luu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2luu
_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 2luu "Master copy" parsed_2luu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2luu
_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 2luu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2luu 1
1 2luu.mr . . DYANA/DIANA 2 "dihedral angle" "Not applicable" "Not applicable" 99 parsed_2luu 1
1 2luu.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 0 parsed_2luu 1
1 2luu.mr . . DYANA/DIANA 4 distance NOE simple 0 parsed_2luu 1
1 2luu.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2luu 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2luu
_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_parse_err.ID
_Dist_constraint_parse_err.Content
_Dist_constraint_parse_err.Begin_line
_Dist_constraint_parse_err.Begin_column
_Dist_constraint_parse_err.End_line
_Dist_constraint_parse_err.End_column
_Dist_constraint_parse_err.Entry_ID
_Dist_constraint_parse_err.Distance_constraint_list_ID
1
;
assign (resid 34 and name O ) (resid 53 and name N ) 3.3 1.1 0.0
assign (resid 34 and name O ) (resid 53 and name H ) 2.2 0.4 0.0
assign (resid 36 and name O ) (resid 51 and name N ) 3.3 1.1 0.0
assign (resid 36 and name O ) (resid 51 and name H ) 2.2 0.4 0.0
assign (resid 37 and name O ) (resid 27 and name N ) 3.3 1.1 0.0
assign (resid 37 and name O ) (resid 27 and name H ) 2.2 0.4 0.0
assign (resid 49 and name O ) (resid 38 and name N ) 3.3 1.1 0.0
assign (resid 49 and name O ) (resid 38 and name H ) 2.2 0.4 0.0
assign (resid 38 and name O ) (resid 49 and name N ) 3.3 1.1 0.0
assign (resid 38 and name O ) (resid 49 and name H ) 2.2 0.4 0.0
#assign (resid 47 and name O ) (resid 40 and name N ) 3.3 1.1 0.0
#assign (resid 47 and name O ) (resid 40 and name H ) 2.2 0.4 0.0
assign (resid 27 and name O ) (resid 37 and name N ) 3.3 1.1 0.0
assign (resid 27 and name O ) (resid 37 and name H ) 2.2 0.4 0.0
#assign (resid 105 and name O ) (resid 82 and name N ) 3.3 1.1 0.0
#assign (resid 105 and name O ) (resid 82 and name H ) 2.2 0.4 0.0
assign (resid 82 and name O ) (resid 105 and name N ) 3.3 1.1 0.0
assign (resid 82 and name O ) (resid 105 and name H ) 2.2 0.4 0.0
assign (resid 103 and name O ) (resid 84 and name N ) 3.3 1.1 0.0
assign (resid 103 and name O ) (resid 84 and name H ) 2.2 0.4 0.0
assign (resid 84 and name O ) (resid 103 and name N ) 3.3 1.1 0.0
assign (resid 84 and name O ) (resid 103 and name H ) 2.2 0.4 0.0
#assign (resid 101 and name O ) (resid 86 and name N ) 3.3 1.1 0.0
#assign (resid 101 and name O ) (resid 86 and name H ) 2.2 0.4 0.0
assign (resid 86 and name O ) (resid 101 and name N ) 3.3 1.1 0.0
assign (resid 86 and name O ) (resid 101 and name H ) 2.2 0.4 0.0
#assign (resid 101 and name O ) (resid 86 and name N ) 3.3 1.1 0.0
#assign (resid 101 and name O ) (resid 86 and name H ) 2.2 0.4 0.0
assign (resid 68 and name O ) (resid 87 and name N ) 3.3 1.1 0.0
assign (resid 68 and name O ) (resid 87 and name H ) 2.2 0.4 0.0
#assign (resid 87 and name O ) (resid 68 and name N ) 3.3 1.1 0.0
#assign (resid 87 and name O ) (resid 68 and name H ) 2.2 0.4 0.0
assign (resid 39 and name O ) (resid 24 and name N ) 3.3 1.1 0.0
assign (resid 39 and name O ) (resid 24 and name H ) 2.2 0.4 0.0
;
1 1 50 65 parsed_2luu 1
stop_
save_
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