NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | in_dress | stage | program | type | item_count |
|
|
29989 |
1bno   |
4326 | cing | recoord | dress | 2-parsed | STAR | dihedral angle | 68 |
data_1bno_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1bno
_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_1bno 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1bno
_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 1bno "Master copy" parsed_1bno
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1bno
_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 1bno.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1bno 1
1 1bno.mr . . n/a 2 comment "Not applicable" "Not applicable" 0 parsed_1bno 1
1 1bno.mr . . XPLOR/CNS 3 distance NOE simple 1029 parsed_1bno 1
1 1bno.mr . . XPLOR/CNS 4 distance "hydrogen bond" simple 44 parsed_1bno 1
1 1bno.mr . . n/a 5 comment "Not applicable" "Not applicable" 0 parsed_1bno 1
1 1bno.mr . . XPLOR/CNS 6 "dihedral angle" "Not applicable" "Not applicable" 68 parsed_1bno 1
1 1bno.mr . . n/a 7 comment "Not applicable" "Not applicable" 0 parsed_1bno 1
1 1bno.mr . . "MR format" 8 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1bno 1
stop_
save_
save_CNS/XPLOR_dihedral_6
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1bno
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 6
_Torsion_angle_constraint_list.Details "Generated by Wattos"
loop_
_Torsion_angle_constraint.ID
_Torsion_angle_constraint.Torsion_angle_name
_Torsion_angle_constraint.Assembly_atom_ID_1
_Torsion_angle_constraint.Entity_assembly_ID_1
_Torsion_angle_constraint.Entity_ID_1
_Torsion_angle_constraint.Comp_index_ID_1
_Torsion_angle_constraint.Seq_ID_1
_Torsion_angle_constraint.Comp_ID_1
_Torsion_angle_constraint.Atom_ID_1
_Torsion_angle_constraint.Resonance_ID_1
_Torsion_angle_constraint.Assembly_atom_ID_2
_Torsion_angle_constraint.Entity_assembly_ID_2
_Torsion_angle_constraint.Entity_ID_2
_Torsion_angle_constraint.Comp_index_ID_2
_Torsion_angle_constraint.Seq_ID_2
_Torsion_angle_constraint.Comp_ID_2
_Torsion_angle_constraint.Atom_ID_2
_Torsion_angle_constraint.Resonance_ID_2
_Torsion_angle_constraint.Assembly_atom_ID_3
_Torsion_angle_constraint.Entity_assembly_ID_3
_Torsion_angle_constraint.Entity_ID_3
_Torsion_angle_constraint.Comp_index_ID_3
_Torsion_angle_constraint.Seq_ID_3
_Torsion_angle_constraint.Comp_ID_3
_Torsion_angle_constraint.Atom_ID_3
_Torsion_angle_constraint.Resonance_ID_3
_Torsion_angle_constraint.Assembly_atom_ID_4
_Torsion_angle_constraint.Entity_assembly_ID_4
_Torsion_angle_constraint.Entity_ID_4
_Torsion_angle_constraint.Comp_index_ID_4
_Torsion_angle_constraint.Seq_ID_4
_Torsion_angle_constraint.Comp_ID_4
_Torsion_angle_constraint.Atom_ID_4
_Torsion_angle_constraint.Resonance_ID_4
_Torsion_angle_constraint.Angle_lower_bound_val
_Torsion_angle_constraint.Angle_upper_bound_val
_Torsion_angle_constraint.Source_experiment_ID
_Torsion_angle_constraint.Auth_asym_ID_1
_Torsion_angle_constraint.Auth_seq_ID_1
_Torsion_angle_constraint.Auth_comp_ID_1
_Torsion_angle_constraint.Auth_atom_ID_1
_Torsion_angle_constraint.Auth_asym_ID_2
_Torsion_angle_constraint.Auth_seq_ID_2
_Torsion_angle_constraint.Auth_comp_ID_2
_Torsion_angle_constraint.Auth_atom_ID_2
_Torsion_angle_constraint.Auth_asym_ID_3
_Torsion_angle_constraint.Auth_seq_ID_3
_Torsion_angle_constraint.Auth_comp_ID_3
_Torsion_angle_constraint.Auth_atom_ID_3
_Torsion_angle_constraint.Auth_asym_ID_4
_Torsion_angle_constraint.Auth_seq_ID_4
_Torsion_angle_constraint.Auth_comp_ID_4
_Torsion_angle_constraint.Auth_atom_ID_4
_Torsion_angle_constraint.Entry_ID
_Torsion_angle_constraint.Torsion_angle_constraint_list_ID
1 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 14 . c . 15 . n . 15 . ca . 15 . c parsed_1bno 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 15 . c . 16 . n . 16 . ca . 16 . c parsed_1bno 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 16 . c . 17 . n . 17 . ca . 17 . c parsed_1bno 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 17 . c . 18 . n . 18 . ca . 18 . c parsed_1bno 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 18 . c . 19 . n . 19 . ca . 19 . c parsed_1bno 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 19 . c . 20 . n . 20 . ca . 20 . c parsed_1bno 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 20 . c . 21 . n . 21 . ca . 21 . c parsed_1bno 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 21 . c . 22 . n . 22 . ca . 22 . c parsed_1bno 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 22 . c . 23 . n . 23 . ca . 23 . c parsed_1bno 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 23 . c . 24 . n . 24 . ca . 24 . c parsed_1bno 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 24 . c . 25 . n . 25 . ca . 25 . c parsed_1bno 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 29 . c . 30 . n . 30 . ca . 30 . c parsed_1bno 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 35 . c . 36 . n . 36 . ca . 36 . c parsed_1bno 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 36 . c . 37 . n . 37 . ca . 37 . c parsed_1bno 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 37 . c . 38 . n . 38 . ca . 38 . c parsed_1bno 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 39 . c . 40 . n . 40 . ca . 40 . c parsed_1bno 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 40 . c . 41 . n . 41 . ca . 41 . c parsed_1bno 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 41 . c . 42 . n . 42 . ca . 42 . c parsed_1bno 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 42 . c . 43 . n . 43 . ca . 43 . c parsed_1bno 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 43 . c . 44 . n . 44 . ca . 44 . c parsed_1bno 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 44 . c . 45 . n . 45 . ca . 45 . c parsed_1bno 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 45 . c . 46 . n . 46 . ca . 46 . c parsed_1bno 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 46 . c . 47 . n . 47 . ca . 47 . c parsed_1bno 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -170.0 -70.0 . . 47 . c . 48 . n . 48 . ca . 48 . c parsed_1bno 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 48 . c . 49 . n . 49 . ca . 49 . c parsed_1bno 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 56 . c . 57 . n . 57 . ca . 57 . c parsed_1bno 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 57 . c . 58 . n . 58 . ca . 58 . c parsed_1bno 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 58 . c . 59 . n . 59 . ca . 59 . c parsed_1bno 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 59 . c . 60 . n . 60 . ca . 60 . c parsed_1bno 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 60 . c . 61 . n . 61 . ca . 61 . c parsed_1bno 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -50.0 . . 61 . c . 62 . n . 62 . ca . 62 . c parsed_1bno 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 68 . c . 69 . n . 69 . ca . 69 . c parsed_1bno 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 69 . c . 70 . n . 70 . ca . 70 . c parsed_1bno 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 70 . c . 71 . n . 71 . ca . 71 . c parsed_1bno 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 71 . c . 72 . n . 72 . ca . 72 . c parsed_1bno 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 72 . c . 73 . n . 73 . ca . 73 . c parsed_1bno 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 73 . c . 74 . n . 74 . ca . 74 . c parsed_1bno 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 74 . c . 75 . n . 75 . ca . 75 . c parsed_1bno 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 75 . c . 76 . n . 76 . ca . 76 . c parsed_1bno 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 76 . c . 77 . n . 77 . ca . 77 . c parsed_1bno 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 77 . c . 78 . n . 78 . ca . 78 . c parsed_1bno 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 78 . c . 79 . n . 79 . ca . 79 . c parsed_1bno 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 5 . c . 6 . n . 6 . ca . 6 . c parsed_1bno 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 7 . c . 8 . n . 8 . ca . 8 . c parsed_1bno 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 10 . c . 11 . n . 11 . ca . 11 . c parsed_1bno 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -150.0 -90.0 . . 11 . c . 12 . n . 12 . ca . 12 . c parsed_1bno 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 27 . c . 28 . n . 28 . ca . 28 . c parsed_1bno 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 32 . c . 33 . n . 33 . ca . 33 . c parsed_1bno 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 53 . c . 54 . n . 54 . ca . 54 . c parsed_1bno 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 80 . c . 81 . n . 81 . ca . 81 . c parsed_1bno 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -160.0 -80.0 . . 64 . c . 65 . n . 65 . ca . 65 . c parsed_1bno 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -30.0 . . 38 . c . 39 . n . 39 . ca . 39 . c parsed_1bno 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 65 . n . 65 . ca . 65 . cb . 65 . cg1 parsed_1bno 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 29 . n . 29 . ca . 29 . cb . 29 . cg1 parsed_1bno 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 0.0 120.0 . . 45 . n . 45 . ca . 45 . cb . 45 . cg1 parsed_1bno 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 20 . n . 20 . ca . 20 . cb . 20 . cg1 parsed_1bno 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 130.0 230.0 . . 36 . n . 36 . ca . 36 . cb . 36 . cg parsed_1bno 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 76 . n . 76 . ca . 76 . cb . 76 . cg parsed_1bno 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 25 . n . 25 . ca . 25 . cb . 25 . cg parsed_1bno 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 49 . n . 49 . ca . 49 . cb . 49 . cg parsed_1bno 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 39 . n . 39 . ca . 39 . cb . 39 . cg parsed_1bno 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -110.0 -10.0 . . 15 . n . 15 . ca . 15 . cb . 15 . cg1 parsed_1bno 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 46 . n . 46 . ca . 46 . cb . 46 . cg1 parsed_1bno 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 69 . n . 69 . ca . 69 . cb . 69 . cg1 parsed_1bno 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 73 . n . 73 . ca . 73 . cb . 73 . cg1 parsed_1bno 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 33 . n . 33 . ca . 33 . cb . 33 . cg1 parsed_1bno 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -120.0 0.0 . . 62 . n . 62 . ca . 62 . cb . 62 . cg parsed_1bno 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 120.0 240.0 . . 62 . ca . 62 . cb . 62 . cg . 62 . cd1 parsed_1bno 1
stop_
loop_
_TA_constraint_comment_org.ID
_TA_constraint_comment_org.Comment_text
_TA_constraint_comment_org.Comment_begin_line
_TA_constraint_comment_org.Comment_begin_column
_TA_constraint_comment_org.Comment_end_line
_TA_constraint_comment_org.Comment_end_column
_TA_constraint_comment_org.Entry_ID
_TA_constraint_comment_org.Torsion_angle_constraint_list_ID
1
;
! Phi restraints: minimum deviation = 30 degrees
! 15
;
1 1 2 11 parsed_1bno 1
2 "! 16" 5 3 5 11 parsed_1bno 1
3 "! 17" 8 3 8 11 parsed_1bno 1
4 "! 18" 11 3 11 11 parsed_1bno 1
5 "! 19" 14 3 14 11 parsed_1bno 1
6 "! 20" 17 3 17 12 parsed_1bno 1
7 "! 21" 20 3 20 11 parsed_1bno 1
8 "! 22" 23 3 23 12 parsed_1bno 1
9 "! 23" 26 3 26 11 parsed_1bno 1
10 "! 24" 29 3 29 11 parsed_1bno 1
11 "! 25" 32 3 32 12 parsed_1bno 1
12 "! 30" 35 3 35 11 parsed_1bno 1
13 "! 36" 38 3 38 12 parsed_1bno 1
14 "! 37" 41 3 41 12 parsed_1bno 1
15 "! 38" 44 3 44 12 parsed_1bno 1
16 "! 40" 47 3 47 12 parsed_1bno 1
17 "! 41" 50 3 50 12 parsed_1bno 1
18 "! 42" 53 3 53 12 parsed_1bno 1
19 "! 43" 56 3 56 12 parsed_1bno 1
20 "! 44" 59 3 59 12 parsed_1bno 1
21 "! 45" 62 3 62 12 parsed_1bno 1
22 "! 46" 65 3 65 12 parsed_1bno 1
23 "! 47" 68 3 68 12 parsed_1bno 1
24 "! 48" 71 3 71 12 parsed_1bno 1
25 "! 49" 74 3 74 12 parsed_1bno 1
26 "! 57" 77 3 77 11 parsed_1bno 1
27 "! 58" 80 3 80 11 parsed_1bno 1
28 "! 59" 83 3 83 11 parsed_1bno 1
29 "! 60" 86 3 86 12 parsed_1bno 1
30 "! 61" 89 3 89 12 parsed_1bno 1
31 "! 62" 92 3 92 11 parsed_1bno 1
32 "! 69" 95 3 95 12 parsed_1bno 1
33 "! 70" 98 3 98 12 parsed_1bno 1
34 "! 71" 101 3 101 12 parsed_1bno 1
35 "! 72" 104 3 104 12 parsed_1bno 1
36 "! 73" 107 3 107 11 parsed_1bno 1
37 "! 74" 110 3 110 11 parsed_1bno 1
38 "! 75" 113 3 113 12 parsed_1bno 1
39 "! 76" 116 3 116 12 parsed_1bno 1
40 "! 77" 119 3 119 11 parsed_1bno 1
41 "! 78" 122 3 122 11 parsed_1bno 1
42 "! 79" 125 3 125 11 parsed_1bno 1
43 "! 6" 128 3 128 11 parsed_1bno 1
44 "! 8" 131 3 131 11 parsed_1bno 1
45 "! 11" 134 3 134 11 parsed_1bno 1
46 "! 12" 137 3 137 11 parsed_1bno 1
47 "! 28" 140 3 140 11 parsed_1bno 1
48 "! 33" 143 3 143 11 parsed_1bno 1
49 "! 54" 146 3 146 11 parsed_1bno 1
50 "! 81" 149 3 149 11 parsed_1bno 1
51 "! 65" 152 3 152 11 parsed_1bno 1
52 "! 39" 155 3 155 11 parsed_1bno 1
53
;
Chi +/- 50
!65
;
159 1 161 7 parsed_1bno 1
54 !29 164 3 164 7 parsed_1bno 1
55 !45 167 3 167 7 parsed_1bno 1
56 !20 170 3 170 7 parsed_1bno 1
57 !36 173 3 173 7 parsed_1bno 1
58 !76 176 3 176 7 parsed_1bno 1
59 !25 179 3 179 7 parsed_1bno 1
60 !49 182 3 182 7 parsed_1bno 1
61 !39 185 3 185 7 parsed_1bno 1
62 !15 188 3 188 7 parsed_1bno 1
63 !46 191 3 191 7 parsed_1bno 1
64 !69 194 3 194 7 parsed_1bno 1
65 !73 197 3 197 7 parsed_1bno 1
66 !33 200 3 200 7 parsed_1bno 1
67 !62 203 3 203 7 parsed_1bno 1
68 !62 206 3 206 7 parsed_1bno 1
stop_
save_
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