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 |
|
|
535303 |
2lee   |
17709 | cing | 2-parsed | STAR | distance | hydrogen bond | simple | 24 |
data_2lee_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2lee
_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_2lee 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2lee
_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 2lee "Master copy" parsed_2lee
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2lee
_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 2lee.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2lee 1
1 2lee.mr . . AMBER 2 distance NOE simple 332 parsed_2lee 1
1 2lee.mr . . AMBER 3 distance "hydrogen bond" simple 24 parsed_2lee 1
1 2lee.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2lee 1
stop_
save_
save_AMBER_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_2lee
_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_2lee 1
2 1 . . . parsed_2lee 1
3 1 . . . parsed_2lee 1
4 1 . . . parsed_2lee 1
5 1 . . . parsed_2lee 1
6 1 . . . parsed_2lee 1
7 1 . . . parsed_2lee 1
8 1 . . . parsed_2lee 1
9 1 . . . parsed_2lee 1
10 1 . . . parsed_2lee 1
11 1 . . . parsed_2lee 1
12 1 . . . parsed_2lee 1
13 1 . . . parsed_2lee 1
14 1 . . . parsed_2lee 1
15 1 . . . parsed_2lee 1
16 1 . . . parsed_2lee 1
17 1 . . . parsed_2lee 1
18 1 . . . parsed_2lee 1
19 1 . . . parsed_2lee 1
20 1 . . . parsed_2lee 1
21 1 . . . parsed_2lee 1
22 1 . . . parsed_2lee 1
23 1 . . . parsed_2lee 1
24 1 . . . parsed_2lee 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 . . . . . . . . 2lee_ambr001 3 DG O6 parsed_2lee 1
1 1 2 . . . . . . . . 2lee_ambr001 15 DG H1 parsed_2lee 1
2 1 1 . . . . . . . . 2lee_ambr001 3 DG N7 parsed_2lee 1
2 1 2 . . . . . . . . 2lee_ambr001 15 DG H21 parsed_2lee 1
3 1 1 . . . . . . . . 2lee_ambr001 7 DG O6 parsed_2lee 1
3 1 2 . . . . . . . . 2lee_ambr001 3 DG H1 parsed_2lee 1
4 1 1 . . . . . . . . 2lee_ambr001 7 DG N7 parsed_2lee 1
4 1 2 . . . . . . . . 2lee_ambr001 3 DG H21 parsed_2lee 1
5 1 1 . . . . . . . . 2lee_ambr001 11 DG O6 parsed_2lee 1
5 1 2 . . . . . . . . 2lee_ambr001 7 DG H1 parsed_2lee 1
6 1 1 . . . . . . . . 2lee_ambr001 11 DG N7 parsed_2lee 1
6 1 2 . . . . . . . . 2lee_ambr001 7 DG H21 parsed_2lee 1
7 1 1 . . . . . . . . 2lee_ambr001 15 DG O6 parsed_2lee 1
7 1 2 . . . . . . . . 2lee_ambr001 11 DG H1 parsed_2lee 1
8 1 1 . . . . . . . . 2lee_ambr001 15 DG N7 parsed_2lee 1
8 1 2 . . . . . . . . 2lee_ambr001 11 DG H21 parsed_2lee 1
9 1 1 . . . . . . . . 2lee_ambr001 4 DG O6 parsed_2lee 1
9 1 2 . . . . . . . . 2lee_ambr001 16 DG H1 parsed_2lee 1
10 1 1 . . . . . . . . 2lee_ambr001 4 DG N7 parsed_2lee 1
10 1 2 . . . . . . . . 2lee_ambr001 16 DG H21 parsed_2lee 1
11 1 1 . . . . . . . . 2lee_ambr001 8 DG O6 parsed_2lee 1
11 1 2 . . . . . . . . 2lee_ambr001 4 DG H1 parsed_2lee 1
12 1 1 . . . . . . . . 2lee_ambr001 8 DG N7 parsed_2lee 1
12 1 2 . . . . . . . . 2lee_ambr001 4 DG H21 parsed_2lee 1
13 1 1 . . . . . . . . 2lee_ambr001 12 DG O6 parsed_2lee 1
13 1 2 . . . . . . . . 2lee_ambr001 8 DG H1 parsed_2lee 1
14 1 1 . . . . . . . . 2lee_ambr001 12 DG N7 parsed_2lee 1
14 1 2 . . . . . . . . 2lee_ambr001 8 DG H21 parsed_2lee 1
15 1 1 . . . . . . . . 2lee_ambr001 16 DG O6 parsed_2lee 1
15 1 2 . . . . . . . . 2lee_ambr001 12 DG H1 parsed_2lee 1
16 1 1 . . . . . . . . 2lee_ambr001 16 DG N7 parsed_2lee 1
16 1 2 . . . . . . . . 2lee_ambr001 12 DG H21 parsed_2lee 1
17 1 1 . . . . . . . . 2lee_ambr001 5 DG O6 parsed_2lee 1
17 1 2 . . . . . . . . 2lee_ambr001 17 DG H1 parsed_2lee 1
18 1 1 . . . . . . . . 2lee_ambr001 5 DG N7 parsed_2lee 1
18 1 2 . . . . . . . . 2lee_ambr001 17 DG H21 parsed_2lee 1
19 1 1 . . . . . . . . 2lee_ambr001 9 DG O6 parsed_2lee 1
19 1 2 . . . . . . . . 2lee_ambr001 5 DG H1 parsed_2lee 1
20 1 1 . . . . . . . . 2lee_ambr001 9 DG N7 parsed_2lee 1
20 1 2 . . . . . . . . 2lee_ambr001 5 DG H21 parsed_2lee 1
21 1 1 . . . . . . . . 2lee_ambr001 13 DG O6 parsed_2lee 1
21 1 2 . . . . . . . . 2lee_ambr001 9 DG H1 parsed_2lee 1
22 1 1 . . . . . . . . 2lee_ambr001 13 DG N7 parsed_2lee 1
22 1 2 . . . . . . . . 2lee_ambr001 9 DG H21 parsed_2lee 1
23 1 1 . . . . . . . . 2lee_ambr001 17 DG O6 parsed_2lee 1
23 1 2 . . . . . . . . 2lee_ambr001 13 DG H1 parsed_2lee 1
24 1 1 . . . . . . . . 2lee_ambr001 17 DG N7 parsed_2lee 1
24 1 2 . . . . . . . . 2lee_ambr001 13 DG H21 parsed_2lee 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 . . . . . 1.90 1.70 2.40 parsed_2lee 1
2 1 . . . . . 2.10 1.90 2.60 parsed_2lee 1
3 1 . . . . . 1.90 1.70 2.40 parsed_2lee 1
4 1 . . . . . 2.10 1.90 2.60 parsed_2lee 1
5 1 . . . . . 1.90 1.70 2.40 parsed_2lee 1
6 1 . . . . . 2.10 1.90 2.60 parsed_2lee 1
7 1 . . . . . 1.90 1.70 2.40 parsed_2lee 1
8 1 . . . . . 2.10 1.90 2.60 parsed_2lee 1
9 1 . . . . . 1.90 1.70 2.40 parsed_2lee 1
10 1 . . . . . 2.10 1.90 2.60 parsed_2lee 1
11 1 . . . . . 1.90 1.70 2.40 parsed_2lee 1
12 1 . . . . . 2.10 1.90 2.60 parsed_2lee 1
13 1 . . . . . 1.90 1.70 2.40 parsed_2lee 1
14 1 . . . . . 2.10 1.90 2.60 parsed_2lee 1
15 1 . . . . . 1.90 1.70 2.40 parsed_2lee 1
16 1 . . . . . 2.10 1.90 2.60 parsed_2lee 1
17 1 . . . . . 1.90 1.70 2.40 parsed_2lee 1
18 1 . . . . . 2.10 1.90 2.60 parsed_2lee 1
19 1 . . . . . 1.90 1.70 2.40 parsed_2lee 1
20 1 . . . . . 2.10 1.90 2.60 parsed_2lee 1
21 1 . . . . . 1.90 1.70 2.40 parsed_2lee 1
22 1 . . . . . 2.10 1.90 2.60 parsed_2lee 1
23 1 . . . . . 1.90 1.70 2.40 parsed_2lee 1
24 1 . . . . . 2.10 1.90 2.60 parsed_2lee 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 bonding within G-quartets
3 DG O6 15 DG H1 1.7 1.9
;
1 1 4 42 parsed_2lee 1
2 "3 DG N7 15 DG H21 1.9 2.1" 7 1 8 42 parsed_2lee 1
3 "7 DG O6 3 DG H1 1.7 1.9" 11 1 12 42 parsed_2lee 1
4 "7 DG N7 3 DG H21 1.9 2.1" 15 1 16 42 parsed_2lee 1
5 "11 DG O6 7 DG H1 1.7 1.9" 19 1 20 42 parsed_2lee 1
6 "11 DG N7 7 DG H21 1.9 2.1" 23 1 24 42 parsed_2lee 1
7 "15 DG O6 11 DG H1 1.7 1.9" 27 1 28 42 parsed_2lee 1
8 "15 DG N7 11 DG H21 1.9 2.1" 31 1 32 42 parsed_2lee 1
9 "4 DG O6 16 DG H1 1.7 1.9" 35 1 36 42 parsed_2lee 1
10 "4 DG N7 16 DG H21 1.9 2.1" 39 1 40 42 parsed_2lee 1
11 "8 DG O6 4 DG H1 1.7 1.9" 43 1 44 42 parsed_2lee 1
12 "8 DG N7 4 DG H21 1.9 2.1" 47 1 48 42 parsed_2lee 1
13 "12 DG O6 8 DG H1 1.7 1.9" 51 1 52 42 parsed_2lee 1
14 "12 DG N7 8 DG H21 1.9 2.1" 55 1 56 42 parsed_2lee 1
15 "16 DG O6 12 DG H1 1.7 1.9" 59 1 60 42 parsed_2lee 1
16 "16 DG N7 12 DG H21 1.9 2.1" 63 1 64 42 parsed_2lee 1
17 "5 DG O6 17 DG H1 1.7 1.9" 67 1 68 42 parsed_2lee 1
18 "5 DG N7 17 DG H21 1.9 2.1" 71 1 72 42 parsed_2lee 1
19 "9 DG O6 5 DG H1 1.7 1.9" 75 1 76 42 parsed_2lee 1
20 "9 DG N7 5 DG H21 1.9 2.1" 79 1 80 42 parsed_2lee 1
21 "13 DG O6 9 DG H1 1.7 1.9" 83 1 84 42 parsed_2lee 1
22 "13 DG N7 9 DG H21 1.9 2.1" 87 1 88 42 parsed_2lee 1
23 "17 DG O6 13 DG H1 1.7 1.9" 91 1 92 42 parsed_2lee 1
24 "17 DG N7 13 DG H21 1.9 2.1" 95 1 96 42 parsed_2lee 1
stop_
save_
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