NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
597668 |
2n8q   |
18567 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 34 |
data_2n8q_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2n8q
_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_2n8q 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2n8q
_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 2n8q "Master copy" parsed_2n8q
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2n8q
_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 2n8q.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2n8q 1
1 2n8q.mr . . DYANA/DIANA 2 distance NOE simple 928 parsed_2n8q 1
1 2n8q.mr . . DYANA/DIANA 3 distance "hydrogen bond" simple 34 parsed_2n8q 1
1 2n8q.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2n8q 1
stop_
save_
save_DYANA/DIANA_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2n8q
_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_2n8q 1
2 1 . . . parsed_2n8q 1
3 1 . . . parsed_2n8q 1
4 1 . . . parsed_2n8q 1
5 1 . . . parsed_2n8q 1
6 1 . . . parsed_2n8q 1
7 1 . . . parsed_2n8q 1
8 1 . . . parsed_2n8q 1
9 1 . . . parsed_2n8q 1
10 1 . . . parsed_2n8q 1
11 1 . . . parsed_2n8q 1
12 1 . . . parsed_2n8q 1
13 1 . . . parsed_2n8q 1
14 1 . . . parsed_2n8q 1
15 1 . . . parsed_2n8q 1
16 1 . . . parsed_2n8q 1
17 1 . . . parsed_2n8q 1
18 1 . . . parsed_2n8q 1
19 1 . . . parsed_2n8q 1
20 1 . . . parsed_2n8q 1
21 1 . . . parsed_2n8q 1
22 1 . . . parsed_2n8q 1
23 1 . . . parsed_2n8q 1
24 1 . . . parsed_2n8q 1
25 1 . . . parsed_2n8q 1
26 1 . . . parsed_2n8q 1
27 1 . . . parsed_2n8q 1
28 1 . . . parsed_2n8q 1
29 1 . . . parsed_2n8q 1
30 1 . . . parsed_2n8q 1
31 1 . . . parsed_2n8q 1
32 1 . . . parsed_2n8q 1
33 1 . . . parsed_2n8q 1
34 1 . . . parsed_2n8q 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 . . . . . . . . . 35 ALA O parsed_2n8q 1
1 1 2 . . . . . . . . . 39 LYS H parsed_2n8q 1
2 1 1 . . . . . . . . . 35 ALA O parsed_2n8q 1
2 1 2 . . . . . . . . . 39 LYS N parsed_2n8q 1
3 1 1 . . . . . . . . . 36 ILE O parsed_2n8q 1
3 1 2 . . . . . . . . . 40 VAL H parsed_2n8q 1
4 1 1 . . . . . . . . . 36 ILE O parsed_2n8q 1
4 1 2 . . . . . . . . . 40 VAL N parsed_2n8q 1
5 1 1 . . . . . . . . . 37 LYS O parsed_2n8q 1
5 1 2 . . . . . . . . . 41 GLU H parsed_2n8q 1
6 1 1 . . . . . . . . . 37 LYS O parsed_2n8q 1
6 1 2 . . . . . . . . . 41 GLU N parsed_2n8q 1
7 1 1 . . . . . . . . . 91 LEU O parsed_2n8q 1
7 1 2 . . . . . . . . . 95 HIS H parsed_2n8q 1
8 1 1 . . . . . . . . . 91 LEU O parsed_2n8q 1
8 1 2 . . . . . . . . . 95 HIS N parsed_2n8q 1
9 1 1 . . . . . . . . . 92 VAL O parsed_2n8q 1
9 1 2 . . . . . . . . . 96 GLN H parsed_2n8q 1
10 1 1 . . . . . . . . . 92 VAL O parsed_2n8q 1
10 1 2 . . . . . . . . . 96 GLN N parsed_2n8q 1
11 1 1 . . . . . . . . . 93 LYS O parsed_2n8q 1
11 1 2 . . . . . . . . . 97 LEU H parsed_2n8q 1
12 1 1 . . . . . . . . . 93 LYS O parsed_2n8q 1
12 1 2 . . . . . . . . . 97 LEU N parsed_2n8q 1
13 1 1 . . . . . . . . . 94 ARG O parsed_2n8q 1
13 1 2 . . . . . . . . . 98 ILE H parsed_2n8q 1
14 1 1 . . . . . . . . . 94 ARG O parsed_2n8q 1
14 1 2 . . . . . . . . . 98 ILE N parsed_2n8q 1
15 1 1 . . . . . . . . . 104 ASP O parsed_2n8q 1
15 1 2 . . . . . . . . . 108 ALA H parsed_2n8q 1
16 1 1 . . . . . . . . . 104 ASP O parsed_2n8q 1
16 1 2 . . . . . . . . . 108 ALA N parsed_2n8q 1
17 1 1 . . . . . . . . . 105 GLU O parsed_2n8q 1
17 1 2 . . . . . . . . . 109 GLY H parsed_2n8q 1
18 1 1 . . . . . . . . . 105 GLU O parsed_2n8q 1
18 1 2 . . . . . . . . . 109 GLY N parsed_2n8q 1
19 1 1 . . . . . . . . . 48 HIS H parsed_2n8q 1
19 1 2 . . . . . . . . . 82 THR O parsed_2n8q 1
20 1 1 . . . . . . . . . 48 HIS N parsed_2n8q 1
20 1 2 . . . . . . . . . 82 THR O parsed_2n8q 1
21 1 1 . . . . . . . . . 48 HIS O parsed_2n8q 1
21 1 2 . . . . . . . . . 82 THR H parsed_2n8q 1
22 1 1 . . . . . . . . . 48 HIS O parsed_2n8q 1
22 1 2 . . . . . . . . . 82 THR N parsed_2n8q 1
23 1 1 . . . . . . . . . 50 LYS H parsed_2n8q 1
23 1 2 . . . . . . . . . 80 GLU H parsed_2n8q 1
24 1 1 . . . . . . . . . 50 LYS N parsed_2n8q 1
24 1 2 . . . . . . . . . 80 GLU N parsed_2n8q 1
25 1 1 . . . . . . . . . 50 LYS O parsed_2n8q 1
25 1 2 . . . . . . . . . 80 GLU O parsed_2n8q 1
26 1 1 . . . . . . . . . 50 LYS O parsed_2n8q 1
26 1 2 . . . . . . . . . 80 GLU O parsed_2n8q 1
27 1 1 . . . . . . . . . 52 ILE H parsed_2n8q 1
27 1 2 . . . . . . . . . 78 ARG O parsed_2n8q 1
28 1 1 . . . . . . . . . 52 ILE N parsed_2n8q 1
28 1 2 . . . . . . . . . 78 ARG O parsed_2n8q 1
29 1 1 . . . . . . . . . 52 ILE O parsed_2n8q 1
29 1 2 . . . . . . . . . 78 ARG H parsed_2n8q 1
30 1 1 . . . . . . . . . 52 ILE O parsed_2n8q 1
30 1 2 . . . . . . . . . 78 ARG N parsed_2n8q 1
31 1 1 . . . . . . . . . 77 PHE O parsed_2n8q 1
31 1 2 . . . . . . . . . 113 LEU H parsed_2n8q 1
32 1 1 . . . . . . . . . 77 PHE O parsed_2n8q 1
32 1 2 . . . . . . . . . 113 LEU N parsed_2n8q 1
33 1 1 . . . . . . . . . 79 LEU H parsed_2n8q 1
33 1 2 . . . . . . . . . 113 LEU O parsed_2n8q 1
34 1 1 . . . . . . . . . 79 LEU N parsed_2n8q 1
34 1 2 . . . . . . . . . 113 LEU O parsed_2n8q 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 . . . . . . . 2.3 parsed_2n8q 1
2 1 . . . . . . . 3.2 parsed_2n8q 1
3 1 . . . . . . . 2.1 parsed_2n8q 1
4 1 . . . . . . . 3 parsed_2n8q 1
5 1 . . . . . . . 2.4 parsed_2n8q 1
6 1 . . . . . . . 3.3 parsed_2n8q 1
7 1 . . . . . . . 2.4 parsed_2n8q 1
8 1 . . . . . . . 3.3 parsed_2n8q 1
9 1 . . . . . . . 2.1 parsed_2n8q 1
10 1 . . . . . . . 3 parsed_2n8q 1
11 1 . . . . . . . 2.12 parsed_2n8q 1
12 1 . . . . . . . 3 parsed_2n8q 1
13 1 . . . . . . . 2.3 parsed_2n8q 1
14 1 . . . . . . . 3.3 parsed_2n8q 1
15 1 . . . . . . . 2.8 parsed_2n8q 1
16 1 . . . . . . . 3.6 parsed_2n8q 1
17 1 . . . . . . . 2.4 parsed_2n8q 1
18 1 . . . . . . . 3.3 parsed_2n8q 1
19 1 . . . . . . . 2 parsed_2n8q 1
20 1 . . . . . . . 2.8 parsed_2n8q 1
21 1 . . . . . . . 2 parsed_2n8q 1
22 1 . . . . . . . 2.7 parsed_2n8q 1
23 1 . . . . . . . 3.2 parsed_2n8q 1
24 1 . . . . . . . 4.6 parsed_2n8q 1
25 1 . . . . . . . 3.4 parsed_2n8q 1
26 1 . . . . . . . 3.4 parsed_2n8q 1
27 1 . . . . . . . 2.2 parsed_2n8q 1
28 1 . . . . . . . 3.2 parsed_2n8q 1
29 1 . . . . . . . 2.4 parsed_2n8q 1
30 1 . . . . . . . 3.2 parsed_2n8q 1
31 1 . . . . . . . 2.5 parsed_2n8q 1
32 1 . . . . . . . 3.4 parsed_2n8q 1
33 1 . . . . . . . 2.4 parsed_2n8q 1
34 1 . . . . . . . 3.3 parsed_2n8q 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 "hydrogen bond constraints." 1 1 1 28 parsed_2n8q 1
2 "peak 1" 2 23 2 29 parsed_2n8q 1
3 "peak 2" 3 23 3 29 parsed_2n8q 1
4 "peak 3" 4 23 4 29 parsed_2n8q 1
5 "peak 4" 5 21 5 27 parsed_2n8q 1
6 "peak 5" 6 23 6 29 parsed_2n8q 1
7 "peak 6" 7 23 7 29 parsed_2n8q 1
8 "peak 7" 8 23 8 29 parsed_2n8q 1
9 "peak 8" 9 23 9 29 parsed_2n8q 1
10 "peak 9" 10 23 10 29 parsed_2n8q 1
11 "peak 10" 11 22 11 29 parsed_2n8q 1
12 "peak 11" 12 24 12 31 parsed_2n8q 1
13 "peak 12" 13 22 13 29 parsed_2n8q 1
14 "peak 13" 14 23 14 30 parsed_2n8q 1
15 "peak 14" 15 23 15 30 parsed_2n8q 1
16 "peak 15" 16 25 16 32 parsed_2n8q 1
17 "peak 16" 17 25 17 32 parsed_2n8q 1
18 "peak 17" 18 25 18 32 parsed_2n8q 1
19 "peak 18" 19 25 19 32 parsed_2n8q 1
20 "peak 19" 20 25 20 32 parsed_2n8q 1
21 "peak 20" 21 23 21 30 parsed_2n8q 1
22 "peak 21" 22 23 22 30 parsed_2n8q 1
23 "peak 22" 23 23 23 30 parsed_2n8q 1
24 "peak 23" 24 23 24 30 parsed_2n8q 1
25 "peak 24" 25 23 25 30 parsed_2n8q 1
26 "peak 25" 26 23 26 30 parsed_2n8q 1
27 "peak 26" 27 23 27 30 parsed_2n8q 1
28 "peak 27" 28 23 28 30 parsed_2n8q 1
29 "peak 28" 29 23 29 30 parsed_2n8q 1
30 "peak 29" 30 23 30 30 parsed_2n8q 1
31 "peak 30" 31 23 31 30 parsed_2n8q 1
32 "peak 31" 32 24 32 31 parsed_2n8q 1
33 "peak 32" 33 24 33 31 parsed_2n8q 1
34 "peak 33" 34 24 34 31 parsed_2n8q 1
35 "peak 34" 35 24 35 31 parsed_2n8q 1
stop_
save_
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