NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
570074 |
2mh4   |
19617 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 8 |
data_2mh4_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2mh4
_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_2mh4 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2mh4
_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 2mh4 "Master copy" parsed_2mh4
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2mh4
_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 2mh4.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2mh4 1
1 2mh4.mr . . XPLOR/CNS 2 distance NOE simple 691 parsed_2mh4 1
1 2mh4.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 8 parsed_2mh4 1
1 2mh4.mr . . XPLOR/CNS 4 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2mh4 1
1 2mh4.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2mh4 1
stop_
save_
save_CNS/XPLOR_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2mh4
_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_2mh4 1
2 1 . . . parsed_2mh4 1
3 1 . . . parsed_2mh4 1
4 1 . . . parsed_2mh4 1
5 1 . . . parsed_2mh4 1
6 1 . . . parsed_2mh4 1
7 1 . . . parsed_2mh4 1
8 1 . . . parsed_2mh4 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 . . . . . . . . . 23 . h parsed_2mh4 1
1 1 2 . . . . . . . . . 65 . o parsed_2mh4 1
2 1 1 . . . . . . . . . 23 . n parsed_2mh4 1
2 1 2 . . . . . . . . . 65 . o parsed_2mh4 1
3 1 1 . . . . . . . . . 65 . h parsed_2mh4 1
3 1 2 . . . . . . . . . 23 . o parsed_2mh4 1
4 1 1 . . . . . . . . . 65 . n parsed_2mh4 1
4 1 2 . . . . . . . . . 23 . o parsed_2mh4 1
5 1 1 . . . . . . . . . 66 . h parsed_2mh4 1
5 1 2 . . . . . . . . . 54 . o parsed_2mh4 1
6 1 1 . . . . . . . . . 66 . n parsed_2mh4 1
6 1 2 . . . . . . . . . 54 . o parsed_2mh4 1
7 1 1 . . . . . . . . . 54 . h parsed_2mh4 1
7 1 2 . . . . . . . . . 66 . o parsed_2mh4 1
8 1 1 . . . . . . . . . 54 . n parsed_2mh4 1
8 1 2 . . . . . . . . . 66 . o parsed_2mh4 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 . . . . . 2.0 2.0 2.0 parsed_2mh4 1
2 1 . . . . . 3.0 3.0 3.0 parsed_2mh4 1
3 1 . . . . . 2.0 2.0 2.0 parsed_2mh4 1
4 1 . . . . . 3.0 3.0 3.0 parsed_2mh4 1
5 1 . . . . . 2.0 2.0 2.0 parsed_2mh4 1
6 1 . . . . . 3.0 3.0 3.0 parsed_2mh4 1
7 1 . . . . . 2.0 2.0 2.0 parsed_2mh4 1
8 1 . . . . . 3.0 3.0 3.0 parsed_2mh4 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
;
assign (resid 9 and name h ) (resid 28 and name o ) 2.0 0.0 0.0
assign (resid 9 and name n ) (resid 28 and name o ) 3.0 0.0 0.0
assign (resid 28 and name h ) (resid 9 and name o ) 2.0 0.0 0.0
assign (resid 28 and name n ) (resid 9 and name o ) 3.0 0.0 0.0
assign (resid 7 and name h ) (resid 30 and name o ) 2.0 0.0 0.0
assign (resid 7 and name n ) (resid 30 and name o ) 3.0 0.0 0.0
assign (resid 30 and name h ) (resid 7 and name o ) 2.0 0.0 0.0
assign (resid 30 and name n ) (resid 7 and name o ) 3.0 0.0 0.0
;
1 1 9 2 parsed_2mh4 1
2
;
assign (resid 21 and name h ) (resid 67 and name o ) 2.0 0.0 0.0
assign (resid 21 and name n ) (resid 67 and name o ) 3.0 0.0 0.0
assign (resid 67 and name h ) (resid 21 and name o ) 2.0 0.0 0.0
assign (resid 67 and name n ) (resid 21 and name o ) 3.0 0.0 0.0
;
14 1 19 2 parsed_2mh4 1
3
;
assign (resid 64 and name h ) (resid 56 and name o ) 2.0 0.0 0.0
assign (resid 64 and name n ) (resid 56 and name o ) 3.0 0.0 0.0
assign (resid 56 and name h ) (resid 64 and name o ) 2.0 0.0 0.0
assign (resid 56 and name n ) (resid 64 and name o ) 3.0 0.0 0.0
assign (resid 71 and name h ) (resid 90 and name o ) 2.0 0.0 0.0
assign (resid 71 and name n ) (resid 90 and name o ) 3.0 0.0 0.0
assign (resid 90 and name h ) (resid 71 and name o ) 2.0 0.0 0.0
assign (resid 90 and name n ) (resid 71 and name o ) 3.0 0.0 0.0
assign (resid 73 and name h ) (resid 88 and name o ) 2.0 0.0 0.0
assign (resid 73 and name n ) (resid 88 and name o ) 3.0 0.0 0.0
assign (resid 88 and name h ) (resid 73 and name o ) 2.0 0.0 0.0
assign (resid 88 and name n ) (resid 73 and name o ) 3.0 0.0 0.0
assign (resid 77 and name h ) (resid 84 and name o ) 2.0 0.0 0.0
assign (resid 77 and name n ) (resid 84 and name o ) 3.0 0.0 0.0
assign (resid 84 and name h ) (resid 77 and name o ) 2.0 0.0 0.0
assign (resid 84 and name n ) (resid 77 and name o ) 3.0 0.0 0.0
assign (resid 76 and name h ) (resid 46 and name o ) 2.0 0.0 0.0
assign (resid 76 and name n ) (resid 46 and name o ) 3.0 0.0 0.0
assign (resid 46 and name h ) (resid 76 and name o ) 2.0 0.0 0.0
assign (resid 46 and name n ) (resid 76 and name o ) 3.0 0.0 0.0
assign (resid 78 and name h ) (resid 44 and name o ) 2.0 0.0 0.0
assign (resid 78 and name n ) (resid 44 and name o ) 3.0 0.0 0.0
assign (resid 44 and name h ) (resid 78 and name o ) 2.0 0.0 0.0
assign (resid 44 and name n ) (resid 78 and name o ) 3.0 0.0 0.0
assign (resid 17 and name h ) (resid 89 and name o ) 2.0 0.0 0.0
assign (resid 17 and name n ) (resid 89 and name o ) 3.0 0.0 0.0
assign (resid 89 and name h ) (resid 15 and name o ) 2.0 0.0 0.0
assign (resid 89 and name n ) (resid 15 and name o ) 3.0 0.0 0.0
assign (resid 15 and name h ) (resid 87 and name o ) 2.0 0.0 0.0
assign (resid 15 and name n ) (resid 87 and name o ) 3.0 0.0 0.0
;
24 1 58 66 parsed_2mh4 1
stop_
save_
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