NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
551060 |
2ljk   |
16413 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 22 |
data_2ljk_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2ljk
_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_2ljk 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2ljk
_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 2ljk "Master copy" parsed_2ljk
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2ljk
_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 2ljk.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2ljk 1
1 2ljk.mr . . DYANA/DIANA 2 distance NOE simple 1457 parsed_2ljk 1
1 2ljk.mr . . DYANA/DIANA 3 "dihedral angle" "Not applicable" "Not applicable" 115 parsed_2ljk 1
1 2ljk.mr . . DYANA/DIANA 4 distance "hydrogen bond" simple 22 parsed_2ljk 1
1 2ljk.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2ljk 1
stop_
save_
save_DYANA/DIANA_distance_constraints_4
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2ljk
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_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_2ljk 1
2 1 . . . parsed_2ljk 1
3 1 . . . parsed_2ljk 1
4 1 . . . parsed_2ljk 1
5 1 . . . parsed_2ljk 1
6 1 . . . parsed_2ljk 1
7 1 . . . parsed_2ljk 1
8 1 . . . parsed_2ljk 1
9 1 . . . parsed_2ljk 1
10 1 . . . parsed_2ljk 1
11 1 . . . parsed_2ljk 1
12 1 . . . parsed_2ljk 1
13 1 . . . parsed_2ljk 1
14 1 . . . parsed_2ljk 1
15 1 . . . parsed_2ljk 1
16 1 . . . parsed_2ljk 1
17 1 . . . parsed_2ljk 1
18 1 . . . parsed_2ljk 1
19 1 . . . parsed_2ljk 1
20 1 . . . parsed_2ljk 1
21 1 . . . parsed_2ljk 1
22 1 . . . parsed_2ljk 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 . . . . . . . . . 28 VAL O parsed_2ljk 1
1 1 2 . . . . . . . . . 70 GLU H parsed_2ljk 1
2 1 1 . . . . . . . . . 28 VAL O parsed_2ljk 1
2 1 2 . . . . . . . . . 70 GLU N parsed_2ljk 1
3 1 1 . . . . . . . . . 28 VAL H parsed_2ljk 1
3 1 2 . . . . . . . . . 70 GLU O parsed_2ljk 1
4 1 1 . . . . . . . . . 28 VAL N parsed_2ljk 1
4 1 2 . . . . . . . . . 70 GLU O parsed_2ljk 1
5 1 1 . . . . . . . . . 30 GLU O parsed_2ljk 1
5 1 2 . . . . . . . . . 68 GLU H parsed_2ljk 1
6 1 1 . . . . . . . . . 30 GLU O parsed_2ljk 1
6 1 2 . . . . . . . . . 68 GLU N parsed_2ljk 1
7 1 1 . . . . . . . . . 30 GLU H parsed_2ljk 1
7 1 2 . . . . . . . . . 68 GLU O parsed_2ljk 1
8 1 1 . . . . . . . . . 30 GLU N parsed_2ljk 1
8 1 2 . . . . . . . . . 68 GLU O parsed_2ljk 1
9 1 1 . . . . . . . . . 28 VAL O parsed_2ljk 1
9 1 2 . . . . . . . . . 70 GLU H parsed_2ljk 1
10 1 1 . . . . . . . . . 28 VAL O parsed_2ljk 1
10 1 2 . . . . . . . . . 70 GLU N parsed_2ljk 1
11 1 1 . . . . . . . . . 28 VAL H parsed_2ljk 1
11 1 2 . . . . . . . . . 70 GLU O parsed_2ljk 1
12 1 1 . . . . . . . . . 28 VAL N parsed_2ljk 1
12 1 2 . . . . . . . . . 70 GLU O parsed_2ljk 1
13 1 1 . . . . . . . . . 30 GLU O parsed_2ljk 1
13 1 2 . . . . . . . . . 68 GLU H parsed_2ljk 1
14 1 1 . . . . . . . . . 30 GLU O parsed_2ljk 1
14 1 2 . . . . . . . . . 68 GLU N parsed_2ljk 1
15 1 1 . . . . . . . . . 30 GLU H parsed_2ljk 1
15 1 2 . . . . . . . . . 68 GLU O parsed_2ljk 1
16 1 1 . . . . . . . . . 30 GLU N parsed_2ljk 1
16 1 2 . . . . . . . . . 68 GLU O parsed_2ljk 1
17 1 1 . . . . . . . . . 32 CYSS SG parsed_2ljk 1
17 1 2 . . . . . . . . . 35 CYSS SG parsed_2ljk 1
18 1 1 . . . . . . . . . 32 CYSS SG parsed_2ljk 1
18 1 2 . . . . . . . . . 35 CYSS CB parsed_2ljk 1
19 1 1 . . . . . . . . . 32 CYSS CB parsed_2ljk 1
19 1 2 . . . . . . . . . 35 CYSS SG parsed_2ljk 1
20 1 1 . . . . . . . . . 32 CYSS SG parsed_2ljk 1
20 1 2 . . . . . . . . . 35 CYSS SG parsed_2ljk 1
21 1 1 . . . . . . . . . 32 CYSS SG parsed_2ljk 1
21 1 2 . . . . . . . . . 35 CYSS CB parsed_2ljk 1
22 1 1 . . . . . . . . . 32 CYSS CB parsed_2ljk 1
22 1 2 . . . . . . . . . 35 CYSS SG parsed_2ljk 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 . . . . . . . 2.40 parsed_2ljk 1
2 1 . . . . . . . 3.40 parsed_2ljk 1
3 1 . . . . . . . 2.40 parsed_2ljk 1
4 1 . . . . . . . 3.40 parsed_2ljk 1
5 1 . . . . . . . 2.40 parsed_2ljk 1
6 1 . . . . . . . 3.40 parsed_2ljk 1
7 1 . . . . . . . 2.40 parsed_2ljk 1
8 1 . . . . . . . 3.40 parsed_2ljk 1
9 1 . . . . . . . 1.80 parsed_2ljk 1
10 1 . . . . . . . 2.70 parsed_2ljk 1
11 1 . . . . . . . 1.80 parsed_2ljk 1
12 1 . . . . . . . 2.70 parsed_2ljk 1
13 1 . . . . . . . 1.80 parsed_2ljk 1
14 1 . . . . . . . 2.70 parsed_2ljk 1
15 1 . . . . . . . 1.80 parsed_2ljk 1
16 1 . . . . . . . 2.70 parsed_2ljk 1
17 1 . . . . . . . 2.20 parsed_2ljk 1
18 1 . . . . . . . 3.00 parsed_2ljk 1
19 1 . . . . . . . 3.00 parsed_2ljk 1
20 1 . . . . . . . 2.30 parsed_2ljk 1
21 1 . . . . . . . 3.10 parsed_2ljk 1
22 1 . . . . . . . 3.10 parsed_2ljk 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 "42 ARG O 88 ASN H 2.40" 1 2 1 38 parsed_2ljk 1
2 "42 ARG O 88 ASN N 3.40" 2 2 2 38 parsed_2ljk 1
3 "42 ARG H 88 ASN O 2.40" 3 2 3 38 parsed_2ljk 1
4 "42 ARG N 88 ASN O 3.40" 4 2 4 38 parsed_2ljk 1
5 "85 ILE O 93 PHE H 2.40" 13 2 13 38 parsed_2ljk 1
6 "85 ILE O 93 PHE N 3.40" 14 2 14 38 parsed_2ljk 1
7 "85 ILE H 93 PHE O 2.40" 15 2 15 38 parsed_2ljk 1
8 "85 ILE N 93 PHE O 3.40" 16 2 16 38 parsed_2ljk 1
9 "42 ARG O 88 ASN H 1.80" 17 2 17 38 parsed_2ljk 1
10 "42 ARG O 88 ASN N 2.70" 18 2 18 38 parsed_2ljk 1
11 "42 ARG H 88 ASN O 1.80" 19 2 19 38 parsed_2ljk 1
12 "42 ARG N 88 ASN O 2.70" 20 2 20 38 parsed_2ljk 1
13 "85 ILE O 93 PHE H 1.80" 29 2 29 38 parsed_2ljk 1
14 "85 ILE O 93 PHE N 2.70" 30 2 30 38 parsed_2ljk 1
15 "85 ILE H 93 PHE O 1.80" 31 2 31 38 parsed_2ljk 1
16 "85 ILE N 93 PHE O 2.70" 32 2 32 38 parsed_2ljk 1
stop_
save_
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