NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
29875 |
1bhu   |
4217 | cing | 2-parsed | STAR | distance | NOE | simple | 23 |
data_1bhu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bhu
_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_1bhu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bhu
_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 1bhu "Master copy" parsed_1bhu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bhu
_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 1bhu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bhu 1
1 1bhu.mr . . XPLOR/CNS 2 distance NOE simple 1443 parsed_1bhu 1
1 1bhu.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 64 parsed_1bhu 1
1 1bhu.mr . . XPLOR/CNS 4 distance NOE simple 23 parsed_1bhu 1
1 1bhu.mr . . XPLOR/CNS 5 distance "disulfide bond" simple 0 parsed_1bhu 1
1 1bhu.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1bhu 1
1 1bhu.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bhu 1
stop_
save_
save_CNS/XPLOR_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1bhu
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 4
_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_1bhu 1
2 1 . . . parsed_1bhu 1
3 1 . . . parsed_1bhu 1
4 1 . . . parsed_1bhu 1
5 1 . . . parsed_1bhu 1
6 1 . . . parsed_1bhu 1
7 1 . . . parsed_1bhu 1
8 1 . . . parsed_1bhu 1
9 1 . . . parsed_1bhu 1
10 1 . . . parsed_1bhu 1
11 1 . . . parsed_1bhu 1
12 1 . . . parsed_1bhu 1
13 1 . . . parsed_1bhu 1
14 1 . . . parsed_1bhu 1
15 1 . . . parsed_1bhu 1
16 1 . . . parsed_1bhu 1
17 1 . . . parsed_1bhu 1
18 1 . . . parsed_1bhu 1
19 1 . . . parsed_1bhu 1
20 1 . . . parsed_1bhu 1
21 1 . . . parsed_1bhu 1
22 1 . . . parsed_1bhu 1
23 1 . . . parsed_1bhu 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 . . . . . . . . . 5 . HB1 parsed_1bhu 1
1 1 2 . . . . . . . . . 17 . HD2# parsed_1bhu 1
2 1 1 . . . . . . . . . 5 . HB2 parsed_1bhu 1
2 1 2 . . . . . . . . . 47 . HB# parsed_1bhu 1
3 1 1 . . . . . . . . . 9 . HD* parsed_1bhu 1
3 1 2 . . . . . . . . . 98 . HB1 parsed_1bhu 1
4 1 1 . . . . . . . . . 9 . HD1# parsed_1bhu 1
4 1 2 . . . . . . . . . 100 . HD1# parsed_1bhu 1
5 1 1 . . . . . . . . . 9 . HD2# parsed_1bhu 1
5 1 2 . . . . . . . . . 100 . HD1# parsed_1bhu 1
6 1 1 . . . . . . . . . 9 . HB2 parsed_1bhu 1
6 1 2 . . . . . . . . . 100 . HD2# parsed_1bhu 1
7 1 1 . . . . . . . . . 9 . HB1 parsed_1bhu 1
7 1 2 . . . . . . . . . 100 . HB1 parsed_1bhu 1
8 1 1 . . . . . . . . . 26 . HB# parsed_1bhu 1
8 1 2 . . . . . . . . . 100 . HD1# parsed_1bhu 1
9 1 1 . . . . . . . . . 26 . HB# parsed_1bhu 1
9 1 2 . . . . . . . . . 100 . HD2# parsed_1bhu 1
10 1 1 . . . . . . . . . 26 . HB# parsed_1bhu 1
10 1 2 . . . . . . . . . 100 . HB1 parsed_1bhu 1
11 1 1 . . . . . . . . . 28 . HB2 parsed_1bhu 1
11 1 2 . . . . . . . . . 100 . HB1 parsed_1bhu 1
12 1 1 . . . . . . . . . 29 . HB2 parsed_1bhu 1
12 1 2 . . . . . . . . . 30 . HB# parsed_1bhu 1
13 1 1 . . . . . . . . . 29 . HB1 parsed_1bhu 1
13 1 2 . . . . . . . . . 100 . HB2 parsed_1bhu 1
14 1 1 . . . . . . . . . 39 . HB2 parsed_1bhu 1
14 1 2 . . . . . . . . . 94 . HG1# parsed_1bhu 1
15 1 1 . . . . . . . . . 41 . HB# parsed_1bhu 1
15 1 2 . . . . . . . . . 44 . HB1 parsed_1bhu 1
16 1 1 . . . . . . . . . 54 . HD1# parsed_1bhu 1
16 1 2 . . . . . . . . . 78 . HB parsed_1bhu 1
17 1 1 . . . . . . . . . 78 . HG1# parsed_1bhu 1
17 1 2 . . . . . . . . . 82 . HB# parsed_1bhu 1
18 1 1 . . . . . . . . . 83 . HB2 parsed_1bhu 1
18 1 2 . . . . . . . . . 87 . HD2# parsed_1bhu 1
19 1 1 . . . . . . . . . 84 . HD1# parsed_1bhu 1
19 1 2 . . . . . . . . . 87 . HD2# parsed_1bhu 1
20 1 1 . . . . . . . . . 84 . HB2 parsed_1bhu 1
20 1 2 . . . . . . . . . 84 . HD1# parsed_1bhu 1
21 1 1 . . . . . . . . . 94 . HG2# parsed_1bhu 1
21 1 2 . . . . . . . . . 96 . HG2# parsed_1bhu 1
22 1 1 . . . . . . . . . 100 . HB1 parsed_1bhu 1
22 1 2 . . . . . . . . . 100 . HD1# parsed_1bhu 1
23 1 1 . . . . . . . . . 100 . HD2# parsed_1bhu 1
23 1 2 . . . . . . . . . 100 . HB1 parsed_1bhu 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 . . . . . 4.0 0.3 6.5 parsed_1bhu 1
2 1 . . . . . 4.0 0.3 6.5 parsed_1bhu 1
3 1 . . . . . 4.0 -0.7 7.5 parsed_1bhu 1
4 1 . . . . . 4.0 -1.2 8.0 parsed_1bhu 1
5 1 . . . . . 4.0 -1.2 8.0 parsed_1bhu 1
6 1 . . . . . 4.0 0.3 6.5 parsed_1bhu 1
7 1 . . . . . 5.0 1.8 7.0 parsed_1bhu 1
8 1 . . . . . 4.0 -1.2 8.0 parsed_1bhu 1
9 1 . . . . . 4.0 -1.2 8.0 parsed_1bhu 1
10 1 . . . . . 4.0 0.3 6.5 parsed_1bhu 1
11 1 . . . . . 5.0 1.8 7.0 parsed_1bhu 1
12 1 . . . . . 4.0 0.8 6.0 parsed_1bhu 1
13 1 . . . . . 4.0 1.8 5.0 parsed_1bhu 1
14 1 . . . . . 5.0 0.3 8.5 parsed_1bhu 1
15 1 . . . . . 4.0 0.3 6.5 parsed_1bhu 1
16 1 . . . . . 4.0 0.3 6.5 parsed_1bhu 1
17 1 . . . . . 4.0 -1.2 8.0 parsed_1bhu 1
18 1 . . . . . 4.0 0.3 6.5 parsed_1bhu 1
19 1 . . . . . 4.0 -1.2 8.0 parsed_1bhu 1
20 1 . . . . . 4.0 0.3 6.5 parsed_1bhu 1
21 1 . . . . . 4.0 -1.2 8.0 parsed_1bhu 1
22 1 . . . . . 4.0 0.3 6.5 parsed_1bhu 1
23 1 . . . . . 4.0 0.3 6.5 parsed_1bhu 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
;
4D noesy derived constraints
residue P5
;
1 1 4 15 parsed_1bhu 1
2 L17 5 74 5 82 parsed_1bhu 1
3
;
A47
residue L9
;
6 74 7 15 parsed_1bhu 1
4 L9 8 74 8 82 parsed_1bhu 1
5 "L9 L100" 9 74 9 88 parsed_1bhu 1
6 "L9 L100" 10 74 10 88 parsed_1bhu 1
7 L100 11 74 11 82 parsed_1bhu 1
8 "residue A26" 13 1 13 15 parsed_1bhu 1
9 "A26 L100" 14 74 14 88 parsed_1bhu 1
10 "A26 L100" 15 74 15 88 parsed_1bhu 1
11
;
A26
residue D28
;
16 74 17 15 parsed_1bhu 1
12 "residue M29" 19 1 19 15 parsed_1bhu 1
13 E30 20 74 20 82 parsed_1bhu 1
14 "residue L39" 22 1 22 15 parsed_1bhu 1
15
;
V94
residue A41
;
23 74 24 15 parsed_1bhu 1
16
;
A41
residue L54
;
25 74 26 15 parsed_1bhu 1
17
;
L54
residue V78
;
27 74 28 15 parsed_1bhu 1
18
;
V78 A82
residue Q83
;
29 74 30 15 parsed_1bhu 1
19
;
L87
residue L84
;
31 74 32 15 parsed_1bhu 1
20 "L84 L87" 33 74 33 88 parsed_1bhu 1
21
;
L84
residue V94
;
34 74 35 15 parsed_1bhu 1
22
;
V94 V96
residue L100
;
36 74 37 15 parsed_1bhu 1
23 L100 38 74 38 82 parsed_1bhu 1
24 L100 39 74 40 2 parsed_1bhu 1
stop_
save_
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