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 |
|
|
512111 |
2l93   |
17435 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 20 |
data_2l93_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2l93
_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_2l93 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2l93
_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 2l93 "Master copy" parsed_2l93
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2l93
_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 2l93.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2l93 1
1 2l93.mr . . AMBER 2 "dihedral angle" "Not applicable" "Not applicable" 62 parsed_2l93 1
1 2l93.mr . . AMBER 3 stereochemistry chirality "Not applicable" 0 parsed_2l93 1
1 2l93.mr . . AMBER 4 "dihedral angle" "Not applicable" "Not applicable" 48 parsed_2l93 1
1 2l93.mr . . AMBER 5 distance "hydrogen bond" simple 20 parsed_2l93 1
1 2l93.mr . . AMBER 6 distance NOE ambi 0 parsed_2l93 1
1 2l93.mr . . "MR format" 7 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2l93 1
stop_
save_
save_AMBER_distance_constraints_5
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2l93
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type "hydrogen bond"
_Distance_constraint_list.Constraint_file_ID 1
_Distance_constraint_list.Block_ID 5
_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_2l93 1
2 1 . . . parsed_2l93 1
3 1 . . . parsed_2l93 1
4 1 . . . parsed_2l93 1
5 1 . . . parsed_2l93 1
6 1 . . . parsed_2l93 1
7 1 . . . parsed_2l93 1
8 1 . . . parsed_2l93 1
9 1 . . . parsed_2l93 1
10 1 . . . parsed_2l93 1
11 1 . . . parsed_2l93 1
12 1 . . . parsed_2l93 1
13 1 . . . parsed_2l93 1
14 1 . . . parsed_2l93 1
15 1 . . . parsed_2l93 1
16 1 . . . parsed_2l93 1
17 1 . . . parsed_2l93 1
18 1 . . . parsed_2l93 1
19 1 . . . parsed_2l93 1
20 1 . . . parsed_2l93 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 . . . . . . . . 2l93_ambr001 9 TYR H parsed_2l93 1
1 1 2 . . . . . . . . 2l93_ambr001 17 LYS O parsed_2l93 1
2 1 1 . . . . . . . . 2l93_ambr001 7 TYR H parsed_2l93 1
2 1 2 . . . . . . . . 2l93_ambr001 19 TRP O parsed_2l93 1
3 1 1 . . . . . . . . 2l93_ambr001 16 THR H parsed_2l93 1
3 1 2 . . . . . . . . 2l93_ambr001 9 TYR O parsed_2l93 1
4 1 1 . . . . . . . . 2l93_ambr001 17 LYS H parsed_2l93 1
4 1 2 . . . . . . . . 2l93_ambr001 9 TYR O parsed_2l93 1
5 1 1 . . . . . . . . 2l93_ambr001 19 TRP H parsed_2l93 1
5 1 2 . . . . . . . . 2l93_ambr001 7 TYR O parsed_2l93 1
6 1 1 . . . . . . . . 2l93_ambr001 31 LYS H parsed_2l93 1
6 1 2 . . . . . . . . 2l93_ambr001 27 ALA O parsed_2l93 1
7 1 1 . . . . . . . . 2l93_ambr001 32 ALA H parsed_2l93 1
7 1 2 . . . . . . . . 2l93_ambr001 28 VAL O parsed_2l93 1
8 1 1 . . . . . . . . 2l93_ambr001 33 MET H parsed_2l93 1
8 1 2 . . . . . . . . 2l93_ambr001 29 ILE O parsed_2l93 1
9 1 1 . . . . . . . . 2l93_ambr001 34 GLU H parsed_2l93 1
9 1 2 . . . . . . . . 2l93_ambr001 30 LYS O parsed_2l93 1
10 1 1 . . . . . . . . 2l93_ambr001 43 PHE H parsed_2l93 1
10 1 2 . . . . . . . . 2l93_ambr001 40 LEU O parsed_2l93 1
11 1 1 . . . . . . . . 2l93_ambr001 9 TYR N parsed_2l93 1
11 1 2 . . . . . . . . 2l93_ambr001 17 LYS O parsed_2l93 1
12 1 1 . . . . . . . . 2l93_ambr001 7 TYR N parsed_2l93 1
12 1 2 . . . . . . . . 2l93_ambr001 19 TRP O parsed_2l93 1
13 1 1 . . . . . . . . 2l93_ambr001 16 THR N parsed_2l93 1
13 1 2 . . . . . . . . 2l93_ambr001 9 TYR O parsed_2l93 1
14 1 1 . . . . . . . . 2l93_ambr001 17 LYS N parsed_2l93 1
14 1 2 . . . . . . . . 2l93_ambr001 9 TYR O parsed_2l93 1
15 1 1 . . . . . . . . 2l93_ambr001 19 TRP N parsed_2l93 1
15 1 2 . . . . . . . . 2l93_ambr001 7 TYR O parsed_2l93 1
16 1 1 . . . . . . . . 2l93_ambr001 31 LYS N parsed_2l93 1
16 1 2 . . . . . . . . 2l93_ambr001 27 ALA O parsed_2l93 1
17 1 1 . . . . . . . . 2l93_ambr001 32 ALA N parsed_2l93 1
17 1 2 . . . . . . . . 2l93_ambr001 28 VAL O parsed_2l93 1
18 1 1 . . . . . . . . 2l93_ambr001 33 MET N parsed_2l93 1
18 1 2 . . . . . . . . 2l93_ambr001 29 ILE O parsed_2l93 1
19 1 1 . . . . . . . . 2l93_ambr001 34 GLU N parsed_2l93 1
19 1 2 . . . . . . . . 2l93_ambr001 30 LYS O parsed_2l93 1
20 1 1 . . . . . . . . 2l93_ambr001 43 PHE N parsed_2l93 1
20 1 2 . . . . . . . . 2l93_ambr001 40 LEU O parsed_2l93 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_2l93 1
2 1 . . . . . 2.30 1.80 3.05 parsed_2l93 1
3 1 . . . . . 2.30 1.80 3.05 parsed_2l93 1
4 1 . . . . . 2.30 1.80 3.05 parsed_2l93 1
5 1 . . . . . 2.30 1.80 3.05 parsed_2l93 1
6 1 . . . . . 2.30 1.80 3.05 parsed_2l93 1
7 1 . . . . . 2.30 1.80 3.05 parsed_2l93 1
8 1 . . . . . 2.30 1.80 3.05 parsed_2l93 1
9 1 . . . . . 2.30 1.80 3.05 parsed_2l93 1
10 1 . . . . . 2.30 1.80 3.05 parsed_2l93 1
11 1 . . . . . 3.30 2.50 4.05 parsed_2l93 1
12 1 . . . . . 3.30 2.50 4.05 parsed_2l93 1
13 1 . . . . . 3.30 2.50 4.05 parsed_2l93 1
14 1 . . . . . 3.30 2.50 4.05 parsed_2l93 1
15 1 . . . . . 3.30 2.50 4.05 parsed_2l93 1
16 1 . . . . . 3.30 2.50 4.05 parsed_2l93 1
17 1 . . . . . 3.30 2.50 4.05 parsed_2l93 1
18 1 . . . . . 3.30 2.50 4.05 parsed_2l93 1
19 1 . . . . . 3.30 2.50 4.05 parsed_2l93 1
20 1 . . . . . 3.30 2.50 4.05 parsed_2l93 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 "9 TYR HN 17 LYS O 1.8 2.3" 1 1 2 42 parsed_2l93 1
2 "7 TYR HN 19 TRP O 1.8 2.3" 7 1 8 42 parsed_2l93 1
3 "16 THR HN 9 TYR O 1.8 2.3" 11 1 12 42 parsed_2l93 1
4 "17 LYS HN 9 TYR O 1.8 2.3" 15 1 16 42 parsed_2l93 1
5 "19 TRP HN 7 TYR O 1.8 2.3" 19 1 20 42 parsed_2l93 1
6 "31 LYS HN 27 ALA O 1.8 2.3" 23 1 24 42 parsed_2l93 1
7 "32 ALA HN 28 VAL O 1.8 2.3" 27 1 28 42 parsed_2l93 1
8 "33 MET HN 29 ILE O 1.8 2.3" 31 1 32 42 parsed_2l93 1
9 "34 GLU HN 30 LYS O 1.8 2.3" 35 1 36 42 parsed_2l93 1
10 "43 PHE HN 40 LEU O 1.8 2.3" 39 1 40 42 parsed_2l93 1
11 "9 TYR N 17 LYS O 2.5 3.3" 43 1 44 41 parsed_2l93 1
12 "7 TYR N 19 TRP O 2.5 3.3" 47 1 48 41 parsed_2l93 1
13 "16 THR N 9 TYR O 2.5 3.3" 51 1 52 41 parsed_2l93 1
14 "17 LYS N 9 TYR O 2.5 3.3" 55 1 56 41 parsed_2l93 1
15 "19 TRP N 7 TYR O 2.5 3.3" 59 1 60 41 parsed_2l93 1
16 "31 LYS N 27 ALA O 2.5 3.3" 63 1 64 41 parsed_2l93 1
17 "32 ALA N 28 VAL O 2.5 3.3" 67 1 68 41 parsed_2l93 1
18 "33 MET N 29 ILE O 2.5 3.3" 71 1 72 41 parsed_2l93 1
19 "34 GLU N 30 LYS O 2.5 3.3" 75 1 76 41 parsed_2l93 1
20 "43 PHE N 40 LEU O 2.5 3.3" 79 1 80 41 parsed_2l93 1
stop_
save_
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