NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
568863 |
2mbl   |
19404 | cing | 2-parsed | STAR | distance | hydrogen bond | simple |
data_2mbl_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mbl
_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_2mbl 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mbl
_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 2mbl "Master copy" parsed_2mbl
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mbl
_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 2mbl.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mbl 1
1 2mbl.mr . . XPLOR/CNS 2 distance NOE simple 2744 parsed_2mbl 1
1 2mbl.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 0 parsed_2mbl 1
1 2mbl.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2mbl 1
1 2mbl.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mbl 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mbl
_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 8 and name HN )) ( (resid 23 and name O )) 1.90 0.10 0.28
assign ((resid 8 and name N )) ( (resid 23 and name O )) 2.85 0.15 0.43
assign ((resid 9 and name HN )) ( (resid 61 and name O )) 1.90 0.10 0.28
assign ((resid 9 and name N )) ( (resid 61 and name O )) 2.85 0.15 0.43
assign ((resid 11 and name HN )) ( (resid 59 and name O )) 1.90 0.10 0.28
assign ((resid 11 and name N )) ( (resid 59 and name O )) 2.85 0.15 0.43
assign ((resid 12 and name O )) ( (resid 19 and name HN )) 1.90 0.10 0.28
assign ((resid 12 and name O )) ( (resid 19 and name N )) 2.85 0.15 0.43
assign ((resid 8 and name O )) ( (resid 23 and name HN )) 1.90 0.10 0.28
assign ((resid 8 and name O )) ( (resid 23 and name N )) 2.85 0.15 0.43
assign ((resid 6 and name O )) ( (resid 25 and name HN )) 1.90 0.10 0.28
assign ((resid 6 and name O )) ( (resid 25 and name N )) 2.85 0.15 0.43
assign ((resid 33 and name O )) ( (resid 37 and name HN )) 1.90 0.10 0.28
assign ((resid 33 and name O )) ( (resid 37 and name N )) 2.85 0.15 0.43
assign ((resid 34 and name O )) ( (resid 38 and name HN )) 1.90 0.10 0.28
assign ((resid 34 and name O )) ( (resid 38 and name N )) 2.85 0.15 0.43
assign ((resid 35 and name O )) ( (resid 39 and name HN )) 1.90 0.10 0.28
assign ((resid 35 and name O )) ( (resid 39 and name N )) 2.85 0.15 0.43
assign ((resid 36 and name O )) ( (resid 40 and name HN )) 1.90 0.10 0.28
assign ((resid 36 and name O )) ( (resid 40 and name N )) 2.85 0.15 0.43
assign ((resid 37 and name O )) ( (resid 41 and name HN )) 1.90 0.10 0.28
assign ((resid 37 and name O )) ( (resid 41 and name N )) 2.85 0.15 0.43
assign ((resid 38 and name O )) ( (resid 42 and name HN )) 1.90 0.10 0.28
assign ((resid 38 and name O )) ( (resid 42 and name N )) 2.85 0.15 0.43
assign ((resid 48 and name O )) ( (resid 52 and name HN )) 1.90 0.10 0.28
assign ((resid 48 and name O )) ( (resid 52 and name N )) 2.85 0.15 0.43
assign ((resid 58 and name HN )) ( (resid 104 and name O )) 1.90 0.10 0.28
assign ((resid 58 and name N )) ( (resid 104 and name O )) 2.85 0.15 0.43
assign ((resid 11 and name O )) ( (resid 59 and name HN )) 1.90 0.10 0.28
assign ((resid 11 and name O )) ( (resid 59 and name N )) 2.85 0.15 0.43
assign ((resid 69 and name O )) ( (resid 73 and name HN )) 1.90 0.10 0.28
assign ((resid 69 and name O )) ( (resid 73 and name N )) 2.85 0.15 0.43
assign ((resid 70 and name O )) ( (resid 74 and name HN )) 1.90 0.10 0.28
assign ((resid 70 and name O )) ( (resid 74 and name N )) 2.85 0.15 0.43
assign ((resid 72 and name O )) ( (resid 76 and name HN )) 1.90 0.10 0.28
assign ((resid 72 and name O )) ( (resid 76 and name N )) 2.85 0.15 0.43
assign ((resid 73 and name O )) ( (resid 77 and name HN )) 1.90 0.10 0.28
assign ((resid 73 and name O )) ( (resid 77 and name N )) 2.85 0.15 0.43
assign ((resid 74 and name O )) ( (resid 78 and name HN )) 1.90 0.10 0.28
assign ((resid 74 and name O )) ( (resid 78 and name N )) 2.85 0.15 0.43
assign ((resid 77 and name O )) ( (resid 81 and name HN )) 1.90 0.10 0.28
assign ((resid 77 and name O )) ( (resid 81 and name N )) 2.85 0.15 0.43
assign ((resid 78 and name O )) ( (resid 82 and name HN )) 1.90 0.10 0.28
assign ((resid 78 and name O )) ( (resid 82 and name N )) 2.85 0.15 0.43
assign ((resid 81 and name O )) ( (resid 85 and name HN )) 1.90 0.10 0.28
assign ((resid 81 and name O )) ( (resid 85 and name N )) 2.85 0.15 0.43
assign ((resid 58 and name O )) ( (resid 104 and name HN )) 1.90 0.10 0.28
assign ((resid 58 and name O )) ( (resid 104 and name N )) 2.85 0.15 0.43
;
1 2 48 90 parsed_2mbl 1
stop_
save_
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