NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
651479 |
7jgi   |
30774 | cing | 2-parsed | STAR | distance | NOE | ambi | 10 |
data_7jgi_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_7jgi
_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_7jgi 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_7jgi
_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 7jgi "Master copy" parsed_7jgi
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_7jgi
_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 7jgi.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_7jgi 1
1 7jgi.mr . . XPLOR/CNS 2 distance NOE ambi 10 parsed_7jgi 1
1 7jgi.mr . . XPLOR/CNS 3 distance NOE ambi 0 parsed_7jgi 1
1 7jgi.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_7jgi 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_7jgi
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 2
_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_7jgi 1
2 1 . . . parsed_7jgi 1
3 1 . . . parsed_7jgi 1
4 1 2 . OR parsed_7jgi 1
4 2 . 3 . parsed_7jgi 1
4 3 . . . parsed_7jgi 1
5 1 . . . parsed_7jgi 1
6 1 . . . parsed_7jgi 1
7 1 . . . parsed_7jgi 1
8 1 . . . parsed_7jgi 1
9 1 . . . parsed_7jgi 1
10 1 . . . parsed_7jgi 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 . . . . . . . . . 201 . H8 parsed_7jgi 1
1 1 2 . . . . . . . . . 45 . HE1 parsed_7jgi 1
2 1 1 . . . . . . . . . 201 . H7 parsed_7jgi 1
2 1 2 . . . . . . . . . 61 . HA parsed_7jgi 1
3 1 1 . . . . . . . . . 201 . H7 parsed_7jgi 1
3 1 2 . . . . . . . . . 64 . HG11 parsed_7jgi 1
4 2 1 . . . . . . . . . 201 . H3 parsed_7jgi 1
4 2 2 . . . . . . . . . 64 . HG21 parsed_7jgi 1
4 3 1 . . . . . . . . . 201 . H6 parsed_7jgi 1
4 3 2 . . . . . . . . . 64 . HG21 parsed_7jgi 1
5 1 1 . . . . . . . . . 201 . H7 parsed_7jgi 1
5 1 2 . . . . . . . . . 64 . HG21 parsed_7jgi 1
6 1 1 . . . . . . . . . 201 . H4 parsed_7jgi 1
6 1 2 . . . . . . . . . 64 . HG21 parsed_7jgi 1
7 1 1 . . . . . . . . . 201 . H7 parsed_7jgi 1
7 1 2 . . . . . . . . . 72 . HB parsed_7jgi 1
8 1 1 . . . . . . . . . 201 . H7 parsed_7jgi 1
8 1 2 . . . . . . . . . 72 . HG21 parsed_7jgi 1
9 1 1 . . . . . . . . . 201 . H8 parsed_7jgi 1
9 1 2 . . . . . . . . . 108 . HE1 parsed_7jgi 1
10 1 1 . . . . . . . . . 201 . H7 parsed_7jgi 1
10 1 2 . . . . . . . . . 108 . HE1 parsed_7jgi 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 . . . . . 4.3 2.0 6.6 parsed_7jgi 1
2 1 . . . . . 3.8 2.0 5.6 parsed_7jgi 1
3 1 . . . . . 3.9 2.0 5.8 parsed_7jgi 1
4 2 . . . . . 4.2 2.0 6.4 parsed_7jgi 1
4 3 . . . . . 4.2 2.0 6.4 parsed_7jgi 1
5 1 . . . . . 3.6 2.0 5.2 parsed_7jgi 1
6 1 . . . . . 4.0 2.0 6.0 parsed_7jgi 1
7 1 . . . . . 3.9 2.0 5.8 parsed_7jgi 1
8 1 . . . . . 3.9 2.0 5.8 parsed_7jgi 1
9 1 . . . . . 4.0 2.0 6.0 parsed_7jgi 1
10 1 . . . . . 3.5 2.0 5.0 parsed_7jgi 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 (residue 201 and name H21) (residue 41 and name HB1) 4.2 2.2 2.2 ! vol=0.43
or (residue 201 and name H21) (residue 41 and name HB2)
;
2 1 3 61 parsed_7jgi 1
2 vol=0.5 5 72 5 81 parsed_7jgi 1
3 vol=0.8 7 71 7 80 parsed_7jgi 1
4 vol=0.3 14 73 14 83 parsed_7jgi 1
5
;
vol=0.788
assign (residue 201 and name H8L) (residue 64 and name HG11) 3.8 1.8 1.8 ! vol=0.7*
or (residue 201 and name H11) (residue 64 and name HG11)
;
9 73 12 62 parsed_7jgi 1
6 vol=2.3 17 73 17 82 parsed_7jgi 1
7 vol=0.6 19 73 19 82 parsed_7jgi 1
8 vol=1.08 21 71 21 81 parsed_7jgi 1
9 vol=0.77 23 73 23 83 parsed_7jgi 1
10 vol=0.49 25 73 25 83 parsed_7jgi 1
11 vol=2.16 27 73 27 83 parsed_7jgi 1
stop_
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 "# Restraints file 1: A7_nOe.tbl" 1 1 1 31 parsed_7jgi 1
stop_
save_
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