NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype | item_count |
|
|
35552 |
1luu   |
5531 | cing | 2-parsed | STAR | distance | NOE | simple | 39 |
data_1luu_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1luu
_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_1luu 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1luu
_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 1luu "Master copy" parsed_1luu
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1luu
_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 1luu.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1luu 1
1 1luu.mr . . DISCOVER 2 stereochemistry chirality "Not applicable" 0 parsed_1luu 1
1 1luu.mr . . DISCOVER 3 distance NOE simple 39 parsed_1luu 1
1 1luu.mr . . DISCOVER 4 distance "hydrogen bond" simple 0 parsed_1luu 1
1 1luu.mr . . DISCOVER 5 "dihedral angle" "Not applicable" "Not applicable" 0 parsed_1luu 1
1 1luu.mr . . "MR format" 6 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1luu 1
stop_
save_
save_Discover_distance_constraints_3
_Distance_constraint_list.Sf_category distance_constraints
_Distance_constraint_list.Entry_ID parsed_1luu
_Distance_constraint_list.ID 1
_Distance_constraint_list.Constraint_type NOE
_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_1luu 1
2 1 . . . parsed_1luu 1
3 1 . . . parsed_1luu 1
4 1 . . . parsed_1luu 1
5 1 . . . parsed_1luu 1
6 1 . . . parsed_1luu 1
7 1 . . . parsed_1luu 1
8 1 . . . parsed_1luu 1
9 1 . . . parsed_1luu 1
10 1 . . . parsed_1luu 1
11 1 . . . parsed_1luu 1
12 1 . . . parsed_1luu 1
13 1 . . . parsed_1luu 1
14 1 . . . parsed_1luu 1
15 1 . . . parsed_1luu 1
16 1 . . . parsed_1luu 1
17 1 . . . parsed_1luu 1
18 1 . . . parsed_1luu 1
19 1 . . . parsed_1luu 1
20 1 . . . parsed_1luu 1
21 1 . . . parsed_1luu 1
22 1 . . . parsed_1luu 1
23 1 . . . parsed_1luu 1
24 1 . . . parsed_1luu 1
25 1 . . . parsed_1luu 1
26 1 . . . parsed_1luu 1
27 1 . . . parsed_1luu 1
28 1 . . . parsed_1luu 1
29 1 . . . parsed_1luu 1
30 1 . . . parsed_1luu 1
31 1 . . . parsed_1luu 1
32 1 . . . parsed_1luu 1
33 1 . . . parsed_1luu 1
34 1 . . . parsed_1luu 1
35 1 . . . parsed_1luu 1
36 1 . . . parsed_1luu 1
37 1 . . . parsed_1luu 1
38 1 . . . parsed_1luu 1
39 1 . . . parsed_1luu 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 . . . . . . . . 1 30 G H1 parsed_1luu 1
1 1 2 . . . . . . . . 1 41 U H3 parsed_1luu 1
2 1 1 . . . . . . . . 1 42 G H1 parsed_1luu 1
2 1 2 . . . . . . . . 1 41 U H3 parsed_1luu 1
3 1 1 . . . . . . . . 1 41 U H3 parsed_1luu 1
3 1 2 . . . . . . . . 1 40 5MC H41 parsed_1luu 1
4 1 1 . . . . . . . . 1 30 G H1 parsed_1luu 1
4 1 2 . . . . . . . . 1 40 5MC H41 parsed_1luu 1
5 1 1 . . . . . . . . 1 42 G H1 parsed_1luu 1
5 1 2 . . . . . . . . 1 28 C H41 parsed_1luu 1
6 1 1 . . . . . . . . 1 42 G H1 parsed_1luu 1
6 1 2 . . . . . . . . 1 27 C5' H41 parsed_1luu 1
7 1 1 . . . . . . . . 1 41 U H3 parsed_1luu 1
7 1 2 . . . . . . . . 1 30 G H21 parsed_1luu 1
8 1 1 . . . . . . . . 1 39 U H3 parsed_1luu 1
8 1 2 . . . . . . . . 1 31 A H2 parsed_1luu 1
9 1 1 . . . . . . . . 1 30 G H1 parsed_1luu 1
9 1 2 . . . . . . . . 1 31 A H2 parsed_1luu 1
10 1 1 . . . . . . . . 1 30 G H1 parsed_1luu 1
10 1 2 . . . . . . . . 1 29 A H61 parsed_1luu 1
11 1 1 . . . . . . . . 1 39 U H3 parsed_1luu 1
11 1 2 . . . . . . . . 1 31 A H61 parsed_1luu 1
12 1 1 . . . . . . . . 1 41 U H3 parsed_1luu 1
12 1 2 . . . . . . . . 1 29 A H61 parsed_1luu 1
13 1 1 . . . . . . . . 1 42 G H1 parsed_1luu 1
13 1 2 . . . . . . . . 1 28 C H42 parsed_1luu 1
14 1 1 . . . . . . . . 1 42 G H1 parsed_1luu 1
14 1 2 . . . . . . . . 1 29 A H2 parsed_1luu 1
15 1 1 . . . . . . . . 1 41 U H3 parsed_1luu 1
15 1 2 . . . . . . . . 1 29 A H2 parsed_1luu 1
16 1 1 . . . . . . . . 1 30 G H1 parsed_1luu 1
16 1 2 . . . . . . . . 1 40 5MC H42 parsed_1luu 1
17 1 1 . . . . . . . . 1 41 U H3 parsed_1luu 1
17 1 2 . . . . . . . . 1 40 5MC H42 parsed_1luu 1
18 1 1 . . . . . . . . 1 41 U H3 parsed_1luu 1
18 1 2 . . . . . . . . 1 29 A H62 parsed_1luu 1
19 1 1 . . . . . . . . 1 30 G H1 parsed_1luu 1
19 1 2 . . . . . . . . 1 31 A H1' parsed_1luu 1
20 1 1 . . . . . . . . 1 41 U H3 parsed_1luu 1
20 1 2 . . . . . . . . 1 42 G H1' parsed_1luu 1
21 1 1 . . . . . . . . 1 41 U H3 parsed_1luu 1
21 1 2 . . . . . . . . 1 41 U H1' parsed_1luu 1
22 1 1 . . . . . . . . 1 30 G H1 parsed_1luu 1
22 1 2 . . . . . . . . 1 41 U H1' parsed_1luu 1
23 1 1 . . . . . . . . 1 30 G H1 parsed_1luu 1
23 1 2 . . . . . . . . 1 41 U H5 parsed_1luu 1
24 1 1 . . . . . . . . 1 41 U H3 parsed_1luu 1
24 1 2 . . . . . . . . 1 40 5MC H5A* parsed_1luu 1
25 1 1 . . . . . . . . 1 30 G H1 parsed_1luu 1
25 1 2 . . . . . . . . 1 40 5MC H5A* parsed_1luu 1
26 1 1 . . . . . . . . 1 40 5MC H41 parsed_1luu 1
26 1 2 . . . . . . . . 1 41 U H5 parsed_1luu 1
27 1 1 . . . . . . . . 1 30 G H21 parsed_1luu 1
27 1 2 . . . . . . . . 1 41 U H1' parsed_1luu 1
28 1 1 . . . . . . . . 1 27 C5' H41 parsed_1luu 1
28 1 2 . . . . . . . . 1 28 C H5 parsed_1luu 1
29 1 1 . . . . . . . . 1 28 C H42 parsed_1luu 1
29 1 2 . . . . . . . . 1 27 C5' H5 parsed_1luu 1
30 1 1 . . . . . . . . 1 28 C H41 parsed_1luu 1
30 1 2 . . . . . . . . 1 29 A H62 parsed_1luu 1
31 1 1 . . . . . . . . 1 28 C H41 parsed_1luu 1
31 1 2 . . . . . . . . 1 27 C5' H5 parsed_1luu 1
32 1 1 . . . . . . . . 1 27 C5' H41 parsed_1luu 1
32 1 2 . . . . . . . . 1 28 C H42 parsed_1luu 1
33 1 1 . . . . . . . . 1 28 C H41 parsed_1luu 1
33 1 2 . . . . . . . . 1 29 A H61 parsed_1luu 1
34 1 1 . . . . . . . . 1 28 C H41 parsed_1luu 1
34 1 2 . . . . . . . . 1 27 C5' H42 parsed_1luu 1
35 1 1 . . . . . . . . 1 42 G H1 parsed_1luu 1
35 1 2 . . . . . . . . 1 29 A H62 parsed_1luu 1
36 1 1 . . . . . . . . 1 30 G H21 parsed_1luu 1
36 1 2 . . . . . . . . 1 31 A H1' parsed_1luu 1
37 1 1 . . . . . . . . 1 39 U H6 parsed_1luu 1
37 1 2 . . . . . . . . 1 39 U H5 parsed_1luu 1
38 1 1 . . . . . . . . 1 41 U H6 parsed_1luu 1
38 1 2 . . . . . . . . 1 41 U H5 parsed_1luu 1
39 1 1 . . . . . . . . 1 28 C H6 parsed_1luu 1
39 1 2 . . . . . . . . 1 28 C H5 parsed_1luu 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 . . . . . . 1.700 4.500 parsed_1luu 1
2 1 . . . . . . 1.700 6.000 parsed_1luu 1
3 1 . . . . . . 1.700 4.500 parsed_1luu 1
4 1 . . . . . . 1.700 4.500 parsed_1luu 1
5 1 . . . . . . 1.700 3.500 parsed_1luu 1
6 1 . . . . . . 1.700 6.000 parsed_1luu 1
7 1 . . . . . . 1.700 6.000 parsed_1luu 1
8 1 . . . . . . 1.700 3.500 parsed_1luu 1
9 1 . . . . . . 1.700 4.500 parsed_1luu 1
10 1 . . . . . . 1.700 4.500 parsed_1luu 1
11 1 . . . . . . 1.700 4.500 parsed_1luu 1
12 1 . . . . . . 1.700 4.500 parsed_1luu 1
13 1 . . . . . . 1.700 3.500 parsed_1luu 1
14 1 . . . . . . 1.700 6.000 parsed_1luu 1
15 1 . . . . . . 1.700 3.500 parsed_1luu 1
16 1 . . . . . . 1.700 3.500 parsed_1luu 1
17 1 . . . . . . 1.700 6.000 parsed_1luu 1
18 1 . . . . . . 1.700 3.500 parsed_1luu 1
19 1 . . . . . . 1.700 4.500 parsed_1luu 1
20 1 . . . . . . 1.700 6.000 parsed_1luu 1
21 1 . . . . . . 1.700 4.500 parsed_1luu 1
22 1 . . . . . . 1.700 4.500 parsed_1luu 1
23 1 . . . . . . 1.700 6.000 parsed_1luu 1
24 1 . . . . . . 1.700 7.000 parsed_1luu 1
25 1 . . . . . . 1.700 5.500 parsed_1luu 1
26 1 . . . . . . 1.700 6.000 parsed_1luu 1
27 1 . . . . . . 1.700 3.500 parsed_1luu 1
28 1 . . . . . . 1.700 6.000 parsed_1luu 1
29 1 . . . . . . 1.700 6.000 parsed_1luu 1
30 1 . . . . . . 1.700 3.500 parsed_1luu 1
31 1 . . . . . . 1.700 4.500 parsed_1luu 1
32 1 . . . . . . 1.700 3.500 parsed_1luu 1
33 1 . . . . . . 1.700 3.500 parsed_1luu 1
34 1 . . . . . . 1.700 3.500 parsed_1luu 1
35 1 . . . . . . 1.700 6.000 parsed_1luu 1
36 1 . . . . . . 1.700 3.500 parsed_1luu 1
37 1 . . . . . . 1.700 3.500 parsed_1luu 1
38 1 . . . . . . 1.700 3.500 parsed_1luu 1
39 1 . . . . . . 1.700 3.500 parsed_1luu 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 distance 1 1 1 9 parsed_1luu 1
2 "3.662 !medium:" 2 74 2 97 parsed_1luu 1
3 "4.745 !weak:" 3 74 3 97 parsed_1luu 1
4 "4.086 !medium:" 4 74 4 97 parsed_1luu 1
5 "2.788 !medium jws" 5 74 5 92 parsed_1luu 1
6 "2.877 !strong:" 6 74 6 97 parsed_1luu 1
7 "4.649 !weak:" 7 74 7 97 parsed_1luu 1
8 "5.276 !weak:" 8 74 8 97 parsed_1luu 1
9 "3.235 !strong:" 9 74 9 97 parsed_1luu 1
10 "3.937 !medium:" 10 74 10 97 parsed_1luu 1
11 "3.763 !medium:" 11 74 11 97 parsed_1luu 1
12 "3.614 !medium:" 12 74 12 97 parsed_1luu 1
13 "2.872 !medium jws (same condition for phe3mod)" 13 74 13 121 parsed_1luu 1
14 "3.318 !strong:" 14 74 14 97 parsed_1luu 1
15 "5.749 !weak:" 15 74 15 97 parsed_1luu 1
16 "2.596 !strong:" 16 74 16 97 parsed_1luu 1
17 "3.126 !strong:" 17 74 17 97 parsed_1luu 1
18 "5.658 !weak:" 18 74 18 97 parsed_1luu 1
19 "2.956 !strong:" 19 74 19 97 parsed_1luu 1
20 "4.016 !medium:" 20 74 20 97 parsed_1luu 1
21 "4.649 !weak:" 21 74 21 97 parsed_1luu 1
22 "4.344 !medium:" 22 74 22 97 parsed_1luu 1
23 "4.360 !medium:" 23 74 23 97 parsed_1luu 1
24 "5.288 !weak:" 24 74 24 97 parsed_1luu 1
25 "5.052 !weak:" 25 74 25 97 parsed_1luu 1
26 "4.123 !medium:" 26 74 26 97 parsed_1luu 1
27 "5.698 !weak:" 27 74 27 97 parsed_1luu 1
28 "3.277 !strong:" 28 74 28 97 parsed_1luu 1
29 "4.894 !weak:" 29 74 29 97 parsed_1luu 1
30 "5.049 !weak:" 30 74 30 97 parsed_1luu 1
31 "3.299 !strong:" 31 74 31 97 parsed_1luu 1
32 "4.408 !medium:" 32 74 32 97 parsed_1luu 1
33 "3.260 !strong:" 33 74 33 97 parsed_1luu 1
34 "2.744 !strong:" 34 74 34 97 parsed_1luu 1
35 "3.213 !strong:" 35 74 35 97 parsed_1luu 1
36 "4.843 !weak:" 36 74 36 97 parsed_1luu 1
37 "3.084 !strong:" 37 74 37 97 parsed_1luu 1
38 "2.458 !strong:" 38 74 38 97 parsed_1luu 1
39 "2.420 !strong:" 39 74 39 97 parsed_1luu 1
stop_
save_
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