NMR Restraints Grid
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NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
618564 |
5kqj   |
30133 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 34 |
data_5kqj_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5kqj
_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_5kqj 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5kqj
_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 5kqj "Master copy" parsed_5kqj
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5kqj
_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 5kqj.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5kqj 1
1 5kqj.mr . . unknown 2 unknown "Not applicable" "Not applicable" 0 parsed_5kqj 1
1 5kqj.mr . . XPLOR/CNS 3 distance "hydrogen bond" simple 95 parsed_5kqj 1
1 5kqj.mr . . unknown 4 distance NOE simple 0 parsed_5kqj 1
1 5kqj.mr . . unknown 5 peak "Not applicable" "Not applicable" 0 parsed_5kqj 1
1 5kqj.mr . . unknown 6 distance NOE simple 0 parsed_5kqj 1
1 5kqj.mr . . DYANA/DIANA 7 distance NOE simple 0 parsed_5kqj 1
1 5kqj.mr . . DYANA/DIANA 8 distance "hydrogen bond" simple 34 parsed_5kqj 1
1 5kqj.mr . . XPLOR/CNS 9 distance "hydrogen bond" simple 0 parsed_5kqj 1
1 5kqj.mr . . XPLOR/CNS 10 distance NOE simple 0 parsed_5kqj 1
1 5kqj.mr . . "MR format" 11 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5kqj 1
stop_
save_
save_DYANA/DIANA_distance_constraints_8
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_5kqj
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 8
_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_5kqj 1
2 1 . . . parsed_5kqj 1
3 1 . . . parsed_5kqj 1
4 1 . . . parsed_5kqj 1
5 1 . . . parsed_5kqj 1
6 1 . . . parsed_5kqj 1
7 1 . . . parsed_5kqj 1
8 1 . . . parsed_5kqj 1
9 1 . . . parsed_5kqj 1
10 1 . . . parsed_5kqj 1
11 1 . . . parsed_5kqj 1
12 1 . . . parsed_5kqj 1
13 1 . . . parsed_5kqj 1
14 1 . . . parsed_5kqj 1
15 1 . . . parsed_5kqj 1
16 1 . . . parsed_5kqj 1
17 1 . . . parsed_5kqj 1
18 1 . . . parsed_5kqj 1
19 1 . . . parsed_5kqj 1
20 1 . . . parsed_5kqj 1
21 1 . . . parsed_5kqj 1
22 1 . . . parsed_5kqj 1
23 1 . . . parsed_5kqj 1
24 1 . . . parsed_5kqj 1
25 1 . . . parsed_5kqj 1
26 1 . . . parsed_5kqj 1
27 1 . . . parsed_5kqj 1
28 1 . . . parsed_5kqj 1
29 1 . . . parsed_5kqj 1
30 1 . . . parsed_5kqj 1
31 1 . . . parsed_5kqj 1
32 1 . . . parsed_5kqj 1
33 1 . . . parsed_5kqj 1
34 1 . . . parsed_5kqj 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 . . . . . . . . . 13 LEU H parsed_5kqj 1
1 1 2 . . . . . . . . . 32 ASP O parsed_5kqj 1
2 1 1 . . . . . . . . . 13 LEU N parsed_5kqj 1
2 1 2 . . . . . . . . . 32 ASP O parsed_5kqj 1
3 1 1 . . . . . . . . . 23 LEU H parsed_5kqj 1
3 1 2 . . . . . . . . . 19 ARG O parsed_5kqj 1
4 1 1 . . . . . . . . . 23 LEU N parsed_5kqj 1
4 1 2 . . . . . . . . . 19 ARG O parsed_5kqj 1
5 1 1 . . . . . . . . . 24 TRP H parsed_5kqj 1
5 1 2 . . . . . . . . . 20 ASN O parsed_5kqj 1
6 1 1 . . . . . . . . . 24 TRP N parsed_5kqj 1
6 1 2 . . . . . . . . . 20 ASN O parsed_5kqj 1
7 1 1 . . . . . . . . . 26 GLY H parsed_5kqj 1
7 1 2 . . . . . . . . . 22 PRO O parsed_5kqj 1
8 1 1 . . . . . . . . . 26 GLY N parsed_5kqj 1
8 1 2 . . . . . . . . . 22 PRO O parsed_5kqj 1
9 1 1 . . . . . . . . . 62 GLU H parsed_5kqj 1
9 1 2 . . . . . . . . . 141 PRO O parsed_5kqj 1
10 1 1 . . . . . . . . . 62 GLU N parsed_5kqj 1
10 1 2 . . . . . . . . . 141 PRO O parsed_5kqj 1
11 1 1 . . . . . . . . . 75 GLY H parsed_5kqj 1
11 1 2 . . . . . . . . . 58 GLU O parsed_5kqj 1
12 1 1 . . . . . . . . . 75 GLY N parsed_5kqj 1
12 1 2 . . . . . . . . . 58 GLU O parsed_5kqj 1
13 1 1 . . . . . . . . . 76 PHE H parsed_5kqj 1
13 1 2 . . . . . . . . . 65 GLY O parsed_5kqj 1
14 1 1 . . . . . . . . . 76 PHE N parsed_5kqj 1
14 1 2 . . . . . . . . . 65 GLY O parsed_5kqj 1
15 1 1 . . . . . . . . . 82 ASP H parsed_5kqj 1
15 1 2 . . . . . . . . . 138 GLU O parsed_5kqj 1
16 1 1 . . . . . . . . . 82 ASP N parsed_5kqj 1
16 1 2 . . . . . . . . . 138 GLU O parsed_5kqj 1
17 1 1 . . . . . . . . . 85 LEU H parsed_5kqj 1
17 1 2 . . . . . . . . . 81 GLY O parsed_5kqj 1
18 1 1 . . . . . . . . . 85 LEU N parsed_5kqj 1
18 1 2 . . . . . . . . . 81 GLY O parsed_5kqj 1
19 1 1 . . . . . . . . . 90 ALA H parsed_5kqj 1
19 1 2 . . . . . . . . . 67 ARG O parsed_5kqj 1
20 1 1 . . . . . . . . . 90 ALA N parsed_5kqj 1
20 1 2 . . . . . . . . . 67 ARG O parsed_5kqj 1
21 1 1 . . . . . . . . . 131 ASP H parsed_5kqj 1
21 1 2 . . . . . . . . . 127 ALA O parsed_5kqj 1
22 1 1 . . . . . . . . . 131 ASP N parsed_5kqj 1
22 1 2 . . . . . . . . . 127 ALA O parsed_5kqj 1
23 1 1 . . . . . . . . . 142 VAL H parsed_5kqj 1
23 1 2 . . . . . . . . . 160 GLY O parsed_5kqj 1
24 1 1 . . . . . . . . . 142 VAL N parsed_5kqj 1
24 1 2 . . . . . . . . . 160 GLY O parsed_5kqj 1
25 1 1 . . . . . . . . . 156 CYS H parsed_5kqj 1
25 1 2 . . . . . . . . . 152 TYR O parsed_5kqj 1
26 1 1 . . . . . . . . . 156 CYS N parsed_5kqj 1
26 1 2 . . . . . . . . . 152 TYR O parsed_5kqj 1
27 1 1 . . . . . . . . . 170 ALA H parsed_5kqj 1
27 1 2 . . . . . . . . . 166 VAL O parsed_5kqj 1
28 1 1 . . . . . . . . . 170 ALA N parsed_5kqj 1
28 1 2 . . . . . . . . . 166 VAL O parsed_5kqj 1
29 1 1 . . . . . . . . . 171 PHE H parsed_5kqj 1
29 1 2 . . . . . . . . . 167 LEU O parsed_5kqj 1
30 1 1 . . . . . . . . . 171 PHE N parsed_5kqj 1
30 1 2 . . . . . . . . . 167 LEU O parsed_5kqj 1
31 1 1 . . . . . . . . . 174 ARG H parsed_5kqj 1
31 1 2 . . . . . . . . . 170 ALA O parsed_5kqj 1
32 1 1 . . . . . . . . . 174 ARG N parsed_5kqj 1
32 1 2 . . . . . . . . . 170 ALA O parsed_5kqj 1
33 1 1 . . . . . . . . . 175 TYR H parsed_5kqj 1
33 1 2 . . . . . . . . . 171 PHE O parsed_5kqj 1
34 1 1 . . . . . . . . . 175 TYR N parsed_5kqj 1
34 1 2 . . . . . . . . . 171 PHE O parsed_5kqj 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 . . . . . . . 2.20 parsed_5kqj 1
2 1 . . . . . . . 3.30 parsed_5kqj 1
3 1 . . . . . . . 2.20 parsed_5kqj 1
4 1 . . . . . . . 3.30 parsed_5kqj 1
5 1 . . . . . . . 2.20 parsed_5kqj 1
6 1 . . . . . . . 3.30 parsed_5kqj 1
7 1 . . . . . . . 2.20 parsed_5kqj 1
8 1 . . . . . . . 3.30 parsed_5kqj 1
9 1 . . . . . . . 2.20 parsed_5kqj 1
10 1 . . . . . . . 3.30 parsed_5kqj 1
11 1 . . . . . . . 2.20 parsed_5kqj 1
12 1 . . . . . . . 3.30 parsed_5kqj 1
13 1 . . . . . . . 2.20 parsed_5kqj 1
14 1 . . . . . . . 3.30 parsed_5kqj 1
15 1 . . . . . . . 2.20 parsed_5kqj 1
16 1 . . . . . . . 3.30 parsed_5kqj 1
17 1 . . . . . . . 2.20 parsed_5kqj 1
18 1 . . . . . . . 3.30 parsed_5kqj 1
19 1 . . . . . . . 2.20 parsed_5kqj 1
20 1 . . . . . . . 3.30 parsed_5kqj 1
21 1 . . . . . . . 2.20 parsed_5kqj 1
22 1 . . . . . . . 3.30 parsed_5kqj 1
23 1 . . . . . . . 2.20 parsed_5kqj 1
24 1 . . . . . . . 3.30 parsed_5kqj 1
25 1 . . . . . . . 2.20 parsed_5kqj 1
26 1 . . . . . . . 3.30 parsed_5kqj 1
27 1 . . . . . . . 2.20 parsed_5kqj 1
28 1 . . . . . . . 3.30 parsed_5kqj 1
29 1 . . . . . . . 2.20 parsed_5kqj 1
30 1 . . . . . . . 3.30 parsed_5kqj 1
31 1 . . . . . . . 2.20 parsed_5kqj 1
32 1 . . . . . . . 3.30 parsed_5kqj 1
33 1 . . . . . . . 2.20 parsed_5kqj 1
34 1 . . . . . . . 3.30 parsed_5kqj 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 "ENDURANCE 0.0" 1 41 1 54 parsed_5kqj 1
2 "ENDURANCE 0.0" 2 41 2 54 parsed_5kqj 1
3 "ENDURANCE 0.0" 3 41 3 54 parsed_5kqj 1
4 "ENDURANCE 0.0" 4 41 4 54 parsed_5kqj 1
5 "ENDURANCE 0.0" 5 41 5 54 parsed_5kqj 1
6 "ENDURANCE 0.0" 6 41 6 54 parsed_5kqj 1
7 "ENDURANCE 0.0" 7 41 7 54 parsed_5kqj 1
8 "ENDURANCE 0.0" 8 41 8 54 parsed_5kqj 1
9 "ENDURANCE 0.0" 9 41 9 54 parsed_5kqj 1
10 "ENDURANCE 0.0" 10 41 10 54 parsed_5kqj 1
11 "ENDURANCE 0.0" 11 41 11 54 parsed_5kqj 1
12 "ENDURANCE 0.0" 12 41 12 54 parsed_5kqj 1
13 "ENDURANCE 0.0" 13 41 13 54 parsed_5kqj 1
14 "ENDURANCE 0.0" 14 41 14 54 parsed_5kqj 1
15 "ENDURANCE 0.0" 15 41 15 54 parsed_5kqj 1
16 "ENDURANCE 0.0" 16 41 16 54 parsed_5kqj 1
17 "ENDURANCE 0.0" 17 41 17 54 parsed_5kqj 1
18 "ENDURANCE 0.0" 18 41 18 54 parsed_5kqj 1
19 "ENDURANCE 0.0" 19 41 19 54 parsed_5kqj 1
20 "ENDURANCE 0.0" 20 41 20 54 parsed_5kqj 1
21 "ENDURANCE 0.0" 21 41 21 54 parsed_5kqj 1
22 "ENDURANCE 0.0" 22 41 22 54 parsed_5kqj 1
23 "ENDURANCE 0.0" 23 41 23 54 parsed_5kqj 1
24 "ENDURANCE 0.0" 24 41 24 54 parsed_5kqj 1
25 "ENDURANCE 0.0" 25 41 25 54 parsed_5kqj 1
26 "ENDURANCE 0.0" 26 41 26 54 parsed_5kqj 1
27 "ENDURANCE 0.0" 27 41 27 54 parsed_5kqj 1
28 "ENDURANCE 0.0" 28 41 28 54 parsed_5kqj 1
29 "ENDURANCE 0.0" 29 41 29 54 parsed_5kqj 1
30 "ENDURANCE 0.0" 30 41 30 54 parsed_5kqj 1
31 "ENDURANCE 0.0" 31 41 31 54 parsed_5kqj 1
32 "ENDURANCE 0.0" 32 41 32 54 parsed_5kqj 1
33 "ENDURANCE 0.0" 33 41 33 54 parsed_5kqj 1
34 "ENDURANCE 0.0" 34 41 34 54 parsed_5kqj 1
stop_
save_
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