NMR Restraints Grid
| |
NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
492885 |
2oq3   |
15126 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 26 |
data_2oq3_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2oq3
_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_2oq3 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2oq3
_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 2oq3 "Master copy" parsed_2oq3
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2oq3
_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 2oq3.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2oq3 1
1 2oq3.mr . . AMBER 2 "dihedral angle" "Not applicable" "Not applicable" 114 parsed_2oq3 1
1 2oq3.mr . . AMBER 3 distance NOE simple 66 parsed_2oq3 1
1 2oq3.mr . . AMBER 4 stereochemistry chirality "Not applicable" 0 parsed_2oq3 1
1 2oq3.mr . . AMBER 5 "dihedral angle" "Not applicable" "Not applicable" 146 parsed_2oq3 1
1 2oq3.mr . . AMBER 6 distance NOE ambi 4220 parsed_2oq3 1
1 2oq3.mr . . AMBER 7 distance "hydrogen bond" simple 26 parsed_2oq3 1
1 2oq3.mr . . AMBER 8 distance NOE ambi 0 parsed_2oq3 1
1 2oq3.mr . . "MR format" 9 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2oq3 1
stop_
save_
save_AMBER_distance_constraints_7
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2oq3
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 7
_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_2oq3 1
2 1 . . . parsed_2oq3 1
3 1 . . . parsed_2oq3 1
4 1 . . . parsed_2oq3 1
5 1 . . . parsed_2oq3 1
6 1 . . . parsed_2oq3 1
7 1 . . . parsed_2oq3 1
8 1 . . . parsed_2oq3 1
9 1 . . . parsed_2oq3 1
10 1 . . . parsed_2oq3 1
11 1 . . . parsed_2oq3 1
12 1 . . . parsed_2oq3 1
13 1 . . . parsed_2oq3 1
14 1 . . . parsed_2oq3 1
15 1 . . . parsed_2oq3 1
16 1 . . . parsed_2oq3 1
17 1 . . . parsed_2oq3 1
18 1 . . . parsed_2oq3 1
19 1 . . . parsed_2oq3 1
20 1 . . . parsed_2oq3 1
21 1 . . . parsed_2oq3 1
22 1 . . . parsed_2oq3 1
23 1 . . . parsed_2oq3 1
24 1 . . . parsed_2oq3 1
25 1 . . . parsed_2oq3 1
26 1 . . . parsed_2oq3 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 . . . . . . . . 2oq3_ambr001 22 GLN O parsed_2oq3 1
1 1 2 . . . . . . . . 2oq3_ambr001 26 ASP H parsed_2oq3 1
2 1 1 . . . . . . . . 2oq3_ambr001 22 GLN O parsed_2oq3 1
2 1 2 . . . . . . . . 2oq3_ambr001 26 ASP N parsed_2oq3 1
3 1 1 . . . . . . . . 2oq3_ambr001 23 GLU O parsed_2oq3 1
3 1 2 . . . . . . . . 2oq3_ambr001 27 PHE H parsed_2oq3 1
4 1 1 . . . . . . . . 2oq3_ambr001 23 GLU O parsed_2oq3 1
4 1 2 . . . . . . . . 2oq3_ambr001 27 PHE N parsed_2oq3 1
5 1 1 . . . . . . . . 2oq3_ambr001 24 ALA O parsed_2oq3 1
5 1 2 . . . . . . . . 2oq3_ambr001 28 SER H parsed_2oq3 1
6 1 1 . . . . . . . . 2oq3_ambr001 24 ALA O parsed_2oq3 1
6 1 2 . . . . . . . . 2oq3_ambr001 28 SER N parsed_2oq3 1
7 1 1 . . . . . . . . 2oq3_ambr001 25 ILE O parsed_2oq3 1
7 1 2 . . . . . . . . 2oq3_ambr001 29 MET H parsed_2oq3 1
8 1 1 . . . . . . . . 2oq3_ambr001 25 ILE O parsed_2oq3 1
8 1 2 . . . . . . . . 2oq3_ambr001 29 MET N parsed_2oq3 1
9 1 1 . . . . . . . . 2oq3_ambr001 26 ASP O parsed_2oq3 1
9 1 2 . . . . . . . . 2oq3_ambr001 30 VAL H parsed_2oq3 1
10 1 1 . . . . . . . . 2oq3_ambr001 26 ASP O parsed_2oq3 1
10 1 2 . . . . . . . . 2oq3_ambr001 30 VAL N parsed_2oq3 1
11 1 1 . . . . . . . . 2oq3_ambr001 43 ILE O parsed_2oq3 1
11 1 2 . . . . . . . . 2oq3_ambr001 47 LYS H parsed_2oq3 1
12 1 1 . . . . . . . . 2oq3_ambr001 43 ILE O parsed_2oq3 1
12 1 2 . . . . . . . . 2oq3_ambr001 47 LYS N parsed_2oq3 1
13 1 1 . . . . . . . . 2oq3_ambr001 44 GLN O parsed_2oq3 1
13 1 2 . . . . . . . . 2oq3_ambr001 48 ASP H parsed_2oq3 1
14 1 1 . . . . . . . . 2oq3_ambr001 44 GLN O parsed_2oq3 1
14 1 2 . . . . . . . . 2oq3_ambr001 48 ASP N parsed_2oq3 1
15 1 1 . . . . . . . . 2oq3_ambr001 99 LEU O parsed_2oq3 1
15 1 2 . . . . . . . . 2oq3_ambr001 64 ALA H parsed_2oq3 1
16 1 1 . . . . . . . . 2oq3_ambr001 99 LEU O parsed_2oq3 1
16 1 2 . . . . . . . . 2oq3_ambr001 64 ALA N parsed_2oq3 1
17 1 1 . . . . . . . . 2oq3_ambr001 64 ALA O parsed_2oq3 1
17 1 2 . . . . . . . . 2oq3_ambr001 101 ILE H parsed_2oq3 1
18 1 1 . . . . . . . . 2oq3_ambr001 64 ALA O parsed_2oq3 1
18 1 2 . . . . . . . . 2oq3_ambr001 101 ILE N parsed_2oq3 1
19 1 1 . . . . . . . . 2oq3_ambr001 82 THR O parsed_2oq3 1
19 1 2 . . . . . . . . 2oq3_ambr001 100 LEU H parsed_2oq3 1
20 1 1 . . . . . . . . 2oq3_ambr001 82 THR O parsed_2oq3 1
20 1 2 . . . . . . . . 2oq3_ambr001 100 LEU N parsed_2oq3 1
21 1 1 . . . . . . . . 2oq3_ambr001 100 LEU O parsed_2oq3 1
21 1 2 . . . . . . . . 2oq3_ambr001 82 THR H parsed_2oq3 1
22 1 1 . . . . . . . . 2oq3_ambr001 100 LEU O parsed_2oq3 1
22 1 2 . . . . . . . . 2oq3_ambr001 82 THR N parsed_2oq3 1
23 1 1 . . . . . . . . 2oq3_ambr001 102 GLY O parsed_2oq3 1
23 1 2 . . . . . . . . 2oq3_ambr001 80 SER H parsed_2oq3 1
24 1 1 . . . . . . . . 2oq3_ambr001 102 GLY O parsed_2oq3 1
24 1 2 . . . . . . . . 2oq3_ambr001 80 SER N parsed_2oq3 1
25 1 1 . . . . . . . . 2oq3_ambr001 80 SER O parsed_2oq3 1
25 1 2 . . . . . . . . 2oq3_ambr001 102 GLY H parsed_2oq3 1
26 1 1 . . . . . . . . 2oq3_ambr001 80 SER O parsed_2oq3 1
26 1 2 . . . . . . . . 2oq3_ambr001 102 GLY N parsed_2oq3 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 . . . . . 2.30 1.80 3.05 parsed_2oq3 1
2 1 . . . . . 3.30 2.50 4.05 parsed_2oq3 1
3 1 . . . . . 2.30 1.80 3.05 parsed_2oq3 1
4 1 . . . . . 3.30 2.50 4.05 parsed_2oq3 1
5 1 . . . . . 2.30 1.80 3.05 parsed_2oq3 1
6 1 . . . . . 3.30 2.50 4.05 parsed_2oq3 1
7 1 . . . . . 2.30 1.80 3.05 parsed_2oq3 1
8 1 . . . . . 3.30 2.50 4.05 parsed_2oq3 1
9 1 . . . . . 2.30 1.80 3.05 parsed_2oq3 1
10 1 . . . . . 3.30 2.50 4.05 parsed_2oq3 1
11 1 . . . . . 2.30 1.80 3.05 parsed_2oq3 1
12 1 . . . . . 3.30 2.50 4.05 parsed_2oq3 1
13 1 . . . . . 2.30 1.80 3.05 parsed_2oq3 1
14 1 . . . . . 3.30 2.50 4.05 parsed_2oq3 1
15 1 . . . . . 2.30 1.80 3.05 parsed_2oq3 1
16 1 . . . . . 3.30 2.50 4.05 parsed_2oq3 1
17 1 . . . . . 2.30 1.80 3.05 parsed_2oq3 1
18 1 . . . . . 3.30 2.50 4.05 parsed_2oq3 1
19 1 . . . . . 2.30 1.80 3.05 parsed_2oq3 1
20 1 . . . . . 3.30 2.50 4.05 parsed_2oq3 1
21 1 . . . . . 2.30 1.80 3.05 parsed_2oq3 1
22 1 . . . . . 3.30 2.50 4.05 parsed_2oq3 1
23 1 . . . . . 2.30 1.80 3.05 parsed_2oq3 1
24 1 . . . . . 3.30 2.50 4.05 parsed_2oq3 1
25 1 . . . . . 2.30 1.80 3.05 parsed_2oq3 1
26 1 . . . . . 3.30 2.50 4.05 parsed_2oq3 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 "22 GLN O 26 ASP HN 1.8 2.3" 1 1 2 29 parsed_2oq3 1
2 "22 GLN O 26 ASP N 2.5 3.3" 7 1 8 28 parsed_2oq3 1
3 "23 GLU O 27 PHE HN 1.8 2.3" 11 1 12 29 parsed_2oq3 1
4 "23 GLU O 27 PHE N 2.5 3.3" 15 1 16 28 parsed_2oq3 1
5 "24 ALA O 28 SER HN 1.8 2.3" 19 1 20 29 parsed_2oq3 1
6 "24 ALA O 28 SER N 2.5 3.3" 23 1 24 28 parsed_2oq3 1
7 "25 ILE O 29 MET HN 1.8 2.3" 27 1 28 29 parsed_2oq3 1
8 "25 ILE O 29 MET N 2.5 3.3" 31 1 32 28 parsed_2oq3 1
9 "26 ASP O 30 VAL HN 1.8 2.3" 35 1 36 29 parsed_2oq3 1
10 "26 ASP O 30 VAL N 2.5 3.3" 39 1 40 28 parsed_2oq3 1
11 "43 ILE O 47 LYS HN 1.8 2.3" 43 1 44 29 parsed_2oq3 1
12 "43 ILE O 47 LYS N 2.5 3.3" 47 1 48 28 parsed_2oq3 1
13 "44 GLN O 48 ASP HN 1.8 2.3" 51 1 52 29 parsed_2oq3 1
14 "44 GLN O 48 ASP N 2.5 3.3" 55 1 56 28 parsed_2oq3 1
15 "99 LEU O 64 ALA HN 1.8 2.3" 59 1 60 29 parsed_2oq3 1
16 "99 LEU O 64 ALA N 2.5 3.3" 63 1 64 28 parsed_2oq3 1
17 "64 ALA O 101 ILE HN 1.8 2.3" 67 1 68 30 parsed_2oq3 1
18 "64 ALA O 101 ILE N 2.5 3.3" 71 1 72 29 parsed_2oq3 1
19 "82 THR O 100 LEU HN 1.8 2.3" 75 1 76 30 parsed_2oq3 1
20 "82 THR O 100 LEU N 2.5 3.3" 79 1 80 29 parsed_2oq3 1
21 "100 LEU O 82 THR HN 1.8 2.3" 83 1 84 30 parsed_2oq3 1
22 "100 LEU O 82 THR N 2.5 3.3" 87 1 88 29 parsed_2oq3 1
23 "102 GLY O 80 SER HN 1.8 2.3" 91 1 92 30 parsed_2oq3 1
24 "102 GLY O 80 SER N 2.5 3.3" 95 1 96 29 parsed_2oq3 1
25 "80 SER O 102 GLY HN 1.8 2.3" 99 1 100 30 parsed_2oq3 1
26 "80 SER O 102 GLY N 2.5 3.3" 103 1 104 29 parsed_2oq3 1
stop_
save_
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