NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
48037 |
2htf   |
7259 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 42 |
data_2htf_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2htf
_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_2htf 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2htf
_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 2htf "Master copy" parsed_2htf
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2htf
_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 2htf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2htf 1
1 2htf.mr . . XPLOR/CNS 2 distance "hydrogen bond" simple 42 parsed_2htf 1
1 2htf.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2htf 1
1 2htf.mr . . XPLOR/CNS 4 distance NOE simple 0 parsed_2htf 1
1 2htf.mr . . XPLOR/CNS 5 "dipolar coupling" "Not applicable" "Not applicable" 0 parsed_2htf 1
1 2htf.mr . . DYANA/DIANA 6 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_2htf 1
1 2htf.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2htf 1
stop_
save_
save_CNS/XPLOR_distance_constraints_2
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2htf
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_2htf 1
2 1 . . . parsed_2htf 1
3 1 . . . parsed_2htf 1
4 1 . . . parsed_2htf 1
5 1 . . . parsed_2htf 1
6 1 . . . parsed_2htf 1
7 1 . . . parsed_2htf 1
8 1 . . . parsed_2htf 1
9 1 . . . parsed_2htf 1
10 1 . . . parsed_2htf 1
11 1 . . . parsed_2htf 1
12 1 . . . parsed_2htf 1
13 1 . . . parsed_2htf 1
14 1 . . . parsed_2htf 1
15 1 . . . parsed_2htf 1
16 1 . . . parsed_2htf 1
17 1 . . . parsed_2htf 1
18 1 . . . parsed_2htf 1
19 1 . . . parsed_2htf 1
20 1 . . . parsed_2htf 1
21 1 . . . parsed_2htf 1
22 1 . . . parsed_2htf 1
23 1 . . . parsed_2htf 1
24 1 . . . parsed_2htf 1
25 1 . . . parsed_2htf 1
26 1 . . . parsed_2htf 1
27 1 . . . parsed_2htf 1
28 1 . . . parsed_2htf 1
29 1 . . . parsed_2htf 1
30 1 . . . parsed_2htf 1
31 1 . . . parsed_2htf 1
32 1 . . . parsed_2htf 1
33 1 . . . parsed_2htf 1
34 1 . . . parsed_2htf 1
35 1 . . . parsed_2htf 1
36 1 . . . parsed_2htf 1
37 1 . . . parsed_2htf 1
38 1 . . . parsed_2htf 1
39 1 . . . parsed_2htf 1
40 1 . . . parsed_2htf 1
41 1 . . . parsed_2htf 1
42 1 . . . parsed_2htf 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 . . . . . . . . . 22 . o parsed_2htf 1
1 1 2 . . . . . . . . . 26 . hn parsed_2htf 1
2 1 1 . . . . . . . . . 22 . o parsed_2htf 1
2 1 2 . . . . . . . . . 26 . n parsed_2htf 1
3 1 1 . . . . . . . . . 23 . o parsed_2htf 1
3 1 2 . . . . . . . . . 27 . hn parsed_2htf 1
4 1 1 . . . . . . . . . 23 . o parsed_2htf 1
4 1 2 . . . . . . . . . 27 . n parsed_2htf 1
5 1 1 . . . . . . . . . 24 . o parsed_2htf 1
5 1 2 . . . . . . . . . 28 . hn parsed_2htf 1
6 1 1 . . . . . . . . . 24 . o parsed_2htf 1
6 1 2 . . . . . . . . . 28 . n parsed_2htf 1
7 1 1 . . . . . . . . . 25 . o parsed_2htf 1
7 1 2 . . . . . . . . . 29 . hn parsed_2htf 1
8 1 1 . . . . . . . . . 25 . o parsed_2htf 1
8 1 2 . . . . . . . . . 29 . n parsed_2htf 1
9 1 1 . . . . . . . . . 26 . o parsed_2htf 1
9 1 2 . . . . . . . . . 30 . hn parsed_2htf 1
10 1 1 . . . . . . . . . 26 . o parsed_2htf 1
10 1 2 . . . . . . . . . 30 . n parsed_2htf 1
11 1 1 . . . . . . . . . 27 . o parsed_2htf 1
11 1 2 . . . . . . . . . 31 . hn parsed_2htf 1
12 1 1 . . . . . . . . . 27 . o parsed_2htf 1
12 1 2 . . . . . . . . . 31 . n parsed_2htf 1
13 1 1 . . . . . . . . . 28 . o parsed_2htf 1
13 1 2 . . . . . . . . . 32 . hn parsed_2htf 1
14 1 1 . . . . . . . . . 28 . o parsed_2htf 1
14 1 2 . . . . . . . . . 32 . n parsed_2htf 1
15 1 1 . . . . . . . . . 29 . o parsed_2htf 1
15 1 2 . . . . . . . . . 33 . hn parsed_2htf 1
16 1 1 . . . . . . . . . 29 . o parsed_2htf 1
16 1 2 . . . . . . . . . 33 . n parsed_2htf 1
17 1 1 . . . . . . . . . 30 . o parsed_2htf 1
17 1 2 . . . . . . . . . 34 . hn parsed_2htf 1
18 1 1 . . . . . . . . . 30 . o parsed_2htf 1
18 1 2 . . . . . . . . . 34 . n parsed_2htf 1
19 1 1 . . . . . . . . . 57 . o parsed_2htf 1
19 1 2 . . . . . . . . . 61 . hn parsed_2htf 1
20 1 1 . . . . . . . . . 57 . o parsed_2htf 1
20 1 2 . . . . . . . . . 61 . n parsed_2htf 1
21 1 1 . . . . . . . . . 58 . o parsed_2htf 1
21 1 2 . . . . . . . . . 62 . hn parsed_2htf 1
22 1 1 . . . . . . . . . 58 . o parsed_2htf 1
22 1 2 . . . . . . . . . 62 . n parsed_2htf 1
23 1 1 . . . . . . . . . 59 . o parsed_2htf 1
23 1 2 . . . . . . . . . 63 . hn parsed_2htf 1
24 1 1 . . . . . . . . . 59 . o parsed_2htf 1
24 1 2 . . . . . . . . . 63 . n parsed_2htf 1
25 1 1 . . . . . . . . . 60 . o parsed_2htf 1
25 1 2 . . . . . . . . . 64 . hn parsed_2htf 1
26 1 1 . . . . . . . . . 60 . o parsed_2htf 1
26 1 2 . . . . . . . . . 64 . n parsed_2htf 1
27 1 1 . . . . . . . . . 61 . o parsed_2htf 1
27 1 2 . . . . . . . . . 65 . hn parsed_2htf 1
28 1 1 . . . . . . . . . 61 . o parsed_2htf 1
28 1 2 . . . . . . . . . 65 . n parsed_2htf 1
29 1 1 . . . . . . . . . 62 . o parsed_2htf 1
29 1 2 . . . . . . . . . 66 . hn parsed_2htf 1
30 1 1 . . . . . . . . . 62 . o parsed_2htf 1
30 1 2 . . . . . . . . . 66 . n parsed_2htf 1
31 1 1 . . . . . . . . . 63 . o parsed_2htf 1
31 1 2 . . . . . . . . . 67 . hn parsed_2htf 1
32 1 1 . . . . . . . . . 63 . o parsed_2htf 1
32 1 2 . . . . . . . . . 67 . n parsed_2htf 1
33 1 1 . . . . . . . . . 64 . o parsed_2htf 1
33 1 2 . . . . . . . . . 68 . hn parsed_2htf 1
34 1 1 . . . . . . . . . 64 . o parsed_2htf 1
34 1 2 . . . . . . . . . 68 . n parsed_2htf 1
35 1 1 . . . . . . . . . 85 . o parsed_2htf 1
35 1 2 . . . . . . . . . 89 . hn parsed_2htf 1
36 1 1 . . . . . . . . . 85 . o parsed_2htf 1
36 1 2 . . . . . . . . . 89 . n parsed_2htf 1
37 1 1 . . . . . . . . . 86 . o parsed_2htf 1
37 1 2 . . . . . . . . . 90 . hn parsed_2htf 1
38 1 1 . . . . . . . . . 86 . o parsed_2htf 1
38 1 2 . . . . . . . . . 90 . n parsed_2htf 1
39 1 1 . . . . . . . . . 87 . o parsed_2htf 1
39 1 2 . . . . . . . . . 91 . hn parsed_2htf 1
40 1 1 . . . . . . . . . 87 . o parsed_2htf 1
40 1 2 . . . . . . . . . 91 . n parsed_2htf 1
41 1 1 . . . . . . . . . 88 . o parsed_2htf 1
41 1 2 . . . . . . . . . 92 . hn parsed_2htf 1
42 1 1 . . . . . . . . . 88 . o parsed_2htf 1
42 1 2 . . . . . . . . . 92 . n parsed_2htf 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 1.3 2.5 parsed_2htf 1
2 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
3 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
4 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
5 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
6 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
7 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
8 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
9 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
10 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
11 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
12 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
13 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
14 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
15 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
16 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
17 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
18 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
19 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
20 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
21 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
22 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
23 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
24 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
25 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
26 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
27 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
28 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
29 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
30 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
31 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
32 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
33 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
34 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
35 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
36 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
37 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
38 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
39 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
40 1 . . . . . 3.0 2.3 3.5 parsed_2htf 1
41 1 . . . . . 2.0 1.3 2.5 parsed_2htf 1
42 1 . . . . . 3.0 2.3 3.5 parsed_2htf 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
;
pol mu brct domain hbonds, EFD 2005-05-12
alpha helices H-BOND constraints
helix1
;
3 1 6 9 parsed_2htf 1
2 helix2 44 1 44 9 parsed_2htf 1
3
;
helix3
assign (resid 84 and name o )
(resid 88 and name hn ) 2.0 0.7 0.5
assign (resid 84 and name o )
(resid 88 and name n ) 3.0 0.7 0.5
;
78 1 82 45 parsed_2htf 1
4
;
beta sheet H-Bonds
assign (resid 11 and name o)
(resid 38 and name hn) 2.0 0.7 0.5
assign (resid 11 and name o)
(resid 38 and name n) 3.0 0.7 0.5
assign (resid 38 and name o)
(resid 13 and name hn) 2.0 0.7 0.5
assign (resid 38 and name o)
(resid 13 and name n) 3.0 0.7 0.5
assign (resid 13 and name o)
(resid 40 and name hn) 2.0 0.7 0.5
assign (resid 13 and name o)
(resid 40 and name n) 3.0 0.7 0.5
assign (resid 12 and name o)
(resid 48 and name hn) 2.0 0.7 0.5
assign (resid 12 and name o)
(resid 48 and name n) 3.0 0.7 0.5
assign (resid 49 and name o)
(resid 14 and name hn) 2.0 0.7 0.5
assign (resid 49 and name o)
(resid 14 and name n) 3.0 0.7 0.5
assign (resid 50 and name o)
(resid 81 and name hn) 2.0 0.7 0.5
assign (resid 50 and name o)
(resid 81 and name n) 3.0 0.7 0.5
assign (resid 52 and name o)
(resid 83 and name hn) 2.0 0.7 0.5
assign (resid 52 and name o)
(resid 83 and name n) 3.0 0.7 0.5
;
100 1 135 44 parsed_2htf 1
stop_
save_
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