NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
29389 |
1ato   |
cing | 2-parsed | STAR | distance | NOE | ambi | 24 |
data_1ato_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1ato
_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_1ato 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1ato
_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 1ato "Master copy" parsed_1ato
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1ato
_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 1ato.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 2 "dihedral angle" "Not applicable" "Not applicable" 100 parsed_1ato 1
1 1ato.mr . . n/a 3 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 4 distance "general distance" simple 12 parsed_1ato 1
1 1ato.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 3 parsed_1ato 1
1 1ato.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 8 "dihedral angle" "Not applicable" "Not applicable" 7 parsed_1ato 1
1 1ato.mr . . n/a 9 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 10 "dihedral angle" "Not applicable" "Not applicable" 7 parsed_1ato 1
1 1ato.mr . . n/a 11 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 12 distance NOE ambi 24 parsed_1ato 1
1 1ato.mr . . n/a 13 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 14 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . n/a 15 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 16 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . n/a 17 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 18 distance NOE ambi 0 parsed_1ato 1
1 1ato.mr . . n/a 19 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 20 distance NOE ambi 0 parsed_1ato 1
1 1ato.mr . . n/a 21 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 22 distance NOE ambi 0 parsed_1ato 1
1 1ato.mr . . n/a 23 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 24 planarity "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . n/a 25 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 26 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . n/a 27 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 28 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . n/a 29 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . XPLOR/CNS 30 distance "hydrogen bond" ambi 0 parsed_1ato 1
1 1ato.mr . . n/a 31 comment "Not applicable" "Not applicable" 0 parsed_1ato 1
1 1ato.mr . . "MR format" 32 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1ato 1
stop_
save_
save_CNS/XPLOR_distance_constraints_12
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1ato
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 12
_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_1ato 1
2 1 . . . parsed_1ato 1
3 1 . . . parsed_1ato 1
4 1 . . . parsed_1ato 1
5 1 . . . parsed_1ato 1
6 1 . . . parsed_1ato 1
7 1 . . . parsed_1ato 1
8 1 . . . parsed_1ato 1
9 1 . . . parsed_1ato 1
10 1 . . . parsed_1ato 1
11 1 . . . parsed_1ato 1
12 1 . . . parsed_1ato 1
13 1 . . . parsed_1ato 1
14 1 . . . parsed_1ato 1
15 1 . . . parsed_1ato 1
16 1 . . . parsed_1ato 1
17 1 . . . parsed_1ato 1
18 1 . . . parsed_1ato 1
19 1 . . . parsed_1ato 1
20 1 . . . parsed_1ato 1
21 1 . . . parsed_1ato 1
22 1 . . . parsed_1ato 1
23 1 . . . parsed_1ato 1
24 1 . . . parsed_1ato 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 . . . . . . . . . 2 . H8 parsed_1ato 1
1 1 2 . . . . . . . . . 1 . H8 parsed_1ato 1
2 1 1 . . . . . . . . . 5 . H2' parsed_1ato 1
2 1 2 . . . . . . . . . 4 . H2 parsed_1ato 1
3 1 1 . . . . . . . . . 5 . H3' parsed_1ato 1
3 1 2 . . . . . . . . . 5 . H5 parsed_1ato 1
4 1 1 . . . . . . . . . 5 . H3' parsed_1ato 1
4 1 2 . . . . . . . . . 6 . H5 parsed_1ato 1
5 1 1 . . . . . . . . . 6 . H5 parsed_1ato 1
5 1 2 . . . . . . . . . 5 . H6 parsed_1ato 1
6 1 1 . . . . . . . . . 6 . H4' parsed_1ato 1
6 1 2 . . . . . . . . . 6 . H5 parsed_1ato 1
7 1 1 . . . . . . . . . 6 . H1' parsed_1ato 1
7 1 2 . . . . . . . . . 7 . H6 parsed_1ato 1
8 1 1 . . . . . . . . . 8 . H5 parsed_1ato 1
8 1 2 . . . . . . . . . 7 . H6 parsed_1ato 1
9 1 1 . . . . . . . . . 7 . H2' parsed_1ato 1
9 1 2 . . . . . . . . . 8 . H5 parsed_1ato 1
10 1 1 . . . . . . . . . 8 . H5'1 parsed_1ato 1
10 1 1 . . . . . . . . . 8 . H5'2 parsed_1ato 1
10 1 2 . . . . . . . . . 8 . H5 parsed_1ato 1
11 1 1 . . . . . . . . . 8 . H1' parsed_1ato 1
11 1 2 . . . . . . . . . 9 . H6 parsed_1ato 1
12 1 1 . . . . . . . . . 8 . H3' parsed_1ato 1
12 1 2 . . . . . . . . . 8 . H5 parsed_1ato 1
13 1 1 . . . . . . . . . 9 . H6 parsed_1ato 1
13 1 2 . . . . . . . . . 8 . H6 parsed_1ato 1
14 1 1 . . . . . . . . . 8 . H2' parsed_1ato 1
14 1 2 . . . . . . . . . 9 . H5 parsed_1ato 1
15 1 1 . . . . . . . . . 8 . H3' parsed_1ato 1
15 1 2 . . . . . . . . . 9 . H5 parsed_1ato 1
16 1 1 . . . . . . . . . 9 . H2' parsed_1ato 1
16 1 2 . . . . . . . . . 9 . H5 parsed_1ato 1
17 1 1 . . . . . . . . . 10 . H2' parsed_1ato 1
17 1 2 . . . . . . . . . 10 . H5 parsed_1ato 1
18 1 1 . . . . . . . . . 11 . H1' parsed_1ato 1
18 1 2 . . . . . . . . . 11 . H5 parsed_1ato 1
19 1 1 . . . . . . . . . 11 . H3' parsed_1ato 1
19 1 2 . . . . . . . . . 11 . H1' parsed_1ato 1
20 1 1 . . . . . . . . . 11 . H2' parsed_1ato 1
20 1 2 . . . . . . . . . 11 . H5 parsed_1ato 1
21 1 1 . . . . . . . . . 15 . H1' parsed_1ato 1
21 1 2 . . . . . . . . . 16 . H6 parsed_1ato 1
22 1 1 . . . . . . . . . 19 . H5'1 parsed_1ato 1
22 1 1 . . . . . . . . . 19 . H5'2 parsed_1ato 1
22 1 2 . . . . . . . . . 19 . H5 parsed_1ato 1
23 1 1 . . . . . . . . . 19 . H5 parsed_1ato 1
23 1 2 . . . . . . . . . 19 . H1' parsed_1ato 1
24 1 1 . . . . . . . . . 19 . H2' parsed_1ato 1
24 1 2 . . . . . . . . . 19 . H5 parsed_1ato 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 . . . . . 6 4 8 parsed_1ato 1
2 1 . . . . . 6 4.5 7.5 parsed_1ato 1
3 1 . . . . . 5 3.5 6.5 parsed_1ato 1
4 1 . . . . . 5 3 7 parsed_1ato 1
5 1 . . . . . 5 3 7 parsed_1ato 1
6 1 . . . . . 6 4 8 parsed_1ato 1
7 1 . . . . . 4 2.5 5.5 parsed_1ato 1
8 1 . . . . . 4.1 2.9 4.9 parsed_1ato 1
9 1 . . . . . 4.5 3.0 5.4 parsed_1ato 1
10 1 . . . . . 6 4 8 parsed_1ato 1
11 1 . . . . . 5 3 7 parsed_1ato 1
12 1 . . . . . 6 4 8 parsed_1ato 1
13 1 . . . . . 5 3 7 parsed_1ato 1
14 1 . . . . . 5 3 7 parsed_1ato 1
15 1 . . . . . 5 3 7 parsed_1ato 1
16 1 . . . . . 4.6 3.1 6.1 parsed_1ato 1
17 1 . . . . . 5 3 7 parsed_1ato 1
18 1 . . . . . 6 4 8 parsed_1ato 1
19 1 . . . . . 4 2.5 5.5 parsed_1ato 1
20 1 . . . . . 5 3 7 parsed_1ato 1
21 1 . . . . . 5 3 7 parsed_1ato 1
22 1 . . . . . 6 4 8 parsed_1ato 1
23 1 . . . . . 5 3 7 parsed_1ato 1
24 1 . . . . . 5 3 7 parsed_1ato 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 "30/9/96 7->5 A" 17 1 17 16 parsed_1ato 1
2
;
Eruit gehaald 8/10/96
assign (resid 8 and name H2')
(resid 7 and name H1')
4.2 2 2
Strakker gezet 8/10/96
;
30 1 35 24 parsed_1ato 1
3 "29/9/96 bounds van 3 naar 2A, dist 7 -> 5A" 48 1 48 45 parsed_1ato 1
4 "29/9/96 bounds van 3 naar 2A, dist 7 -> 5A" 57 1 57 45 parsed_1ato 1
5 "29/9/96 bounds van 3 naar 2A, dist 7 -> 5A;" 62 1 62 46 parsed_1ato 1
6 "29/9/96 bounds van 3 naar 2A, dist 7 -> 5A" 68 1 68 45 parsed_1ato 1
7
;
assign (resid 11 and name H5)
(resid 9 and name H6)
7 2 2
;
77 1 79 9 parsed_1ato 1
stop_
save_
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