NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | item_count |
|
|
34774 |
1kft   |
5217 | cing | recoord | 2-parsed | STAR | dihedral angle | 68 |
data_1kft_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_1kft
_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_1kft 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_1kft
_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 1kft "Master copy" parsed_1kft
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_1kft
_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 1kft.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_1kft 1
1 1kft.mr . . XPLOR/CNS 2 distance NOE ambi 1386 parsed_1kft 1
1 1kft.mr . . XPLOR/CNS 3 "dihedral angle" "Not applicable" "Not applicable" 68 parsed_1kft 1
1 1kft.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_1kft 1
stop_
save_
save_CNS/XPLOR_dihedral_3
_Torsion_angle_constraint_list.Sf_category torsion_angle_constraints
_Torsion_angle_constraint_list.Entry_ID parsed_1kft
_Torsion_angle_constraint_list.ID 1
_Torsion_angle_constraint_list.Constraint_file_ID 1
_Torsion_angle_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -126.0 -70.0 . . 11 . C . 12 . N . 12 . CA . 12 . C parsed_1kft 1
2 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -34.0 42.0 . . 12 . N . 12 . CA . 12 . C . 13 . N parsed_1kft 1
3 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -129.0 -73.0 . . 14 . C . 15 . N . 15 . CA . 15 . C parsed_1kft 1
4 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 73.0 169.0 . . 15 . N . 15 . CA . 15 . C . 16 . N parsed_1kft 1
5 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -99.0 -51.0 . . 26 . C . 27 . N . 27 . CA . 27 . C parsed_1kft 1
6 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -7.0 . . 27 . N . 27 . CA . 27 . C . 28 . N parsed_1kft 1
7 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -95.0 -51.0 . . 28 . C . 29 . N . 29 . CA . 29 . C parsed_1kft 1
8 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 83.0 179.0 . . 29 . N . 29 . CA . 29 . C . 30 . N parsed_1kft 1
9 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -71.0 -11.0 . . 35 . N . 35 . CA . 35 . C . 36 . N parsed_1kft 1
10 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 35 . C . 36 . N . 36 . CA . 36 . C parsed_1kft 1
11 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -18.0 . . 36 . N . 36 . CA . 36 . C . 37 . N parsed_1kft 1
12 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 36 . C . 37 . N . 37 . CA . 37 . C parsed_1kft 1
13 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -17.0 . . 37 . N . 37 . CA . 37 . C . 38 . N parsed_1kft 1
14 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -44.0 . . 37 . C . 38 . N . 38 . CA . 38 . C parsed_1kft 1
15 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 38 . N . 38 . CA . 38 . C . 39 . N parsed_1kft 1
16 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.0 -43.0 . . 38 . C . 39 . N . 39 . CA . 39 . C parsed_1kft 1
17 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 39 . N . 39 . CA . 39 . C . 40 . N parsed_1kft 1
18 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -46.0 . . 39 . C . 40 . N . 40 . CA . 40 . C parsed_1kft 1
19 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 40 . N . 40 . CA . 40 . C . 41 . N parsed_1kft 1
20 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 40 . C . 41 . N . 41 . CA . 41 . C parsed_1kft 1
21 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -18.0 . . 41 . N . 41 . CA . 41 . C . 42 . N parsed_1kft 1
22 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -44.0 . . 41 . C . 42 . N . 42 . CA . 42 . C parsed_1kft 1
23 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -61.0 -21.0 . . 42 . N . 42 . CA . 42 . C . 43 . N parsed_1kft 1
24 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -97.0 -49.0 . . 42 . C . 43 . N . 43 . CA . 43 . C parsed_1kft 1
25 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -54.0 -14.0 . . 43 . N . 43 . CA . 43 . C . 44 . N parsed_1kft 1
26 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.0 -56.0 . . 43 . C . 44 . N . 44 . CA . 44 . C parsed_1kft 1
27 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -39.0 17.0 . . 44 . N . 44 . CA . 44 . C . 45 . N parsed_1kft 1
28 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -42.0 . . 46 . C . 47 . N . 47 . CA . 47 . C parsed_1kft 1
29 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -70.0 -10.0 . . 47 . N . 47 . CA . 47 . C . 48 . N parsed_1kft 1
30 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.0 -43.0 . . 47 . C . 48 . N . 48 . CA . 48 . C parsed_1kft 1
31 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -65.0 -17.0 . . 48 . N . 48 . CA . 48 . C . 49 . N parsed_1kft 1
32 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -83.0 -43.0 . . 48 . C . 49 . N . 49 . CA . 49 . C parsed_1kft 1
33 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -18.0 . . 49 . N . 49 . CA . 49 . C . 50 . N parsed_1kft 1
34 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -86.0 -46.0 . . 49 . C . 50 . N . 50 . CA . 50 . C parsed_1kft 1
35 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -57.0 -17.0 . . 50 . N . 50 . CA . 50 . C . 51 . N parsed_1kft 1
36 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -109.0 -45.0 . . 50 . C . 51 . N . 51 . CA . 51 . C parsed_1kft 1
37 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 1.0 . . 51 . N . 51 . CA . 51 . C . 52 . N parsed_1kft 1
38 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -134.0 -38.0 . . 52 . C . 53 . N . 53 . CA . 53 . C parsed_1kft 1
39 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 76.0 192.0 . . 53 . N . 53 . CA . 53 . C . 54 . N parsed_1kft 1
40 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -131.0 -51.0 . . 53 . C . 54 . N . 54 . CA . 54 . C parsed_1kft 1
41 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 90.0 206.0 . . 54 . N . 54 . CA . 54 . C . 55 . N parsed_1kft 1
42 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -91.0 -39.0 . . 54 . C . 55 . N . 55 . CA . 55 . C parsed_1kft 1
43 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -11.0 . . 55 . N . 55 . CA . 55 . C . 56 . N parsed_1kft 1
44 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -44.0 . . 55 . C . 56 . N . 56 . CA . 56 . C parsed_1kft 1
45 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -15.0 . . 56 . N . 56 . CA . 56 . C . 57 . N parsed_1kft 1
46 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -87.0 -47.0 . . 56 . C . 57 . N . 57 . CA . 57 . C parsed_1kft 1
47 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 57 . N . 57 . CA . 57 . C . 58 . N parsed_1kft 1
48 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 57 . C . 58 . N . 58 . CA . 58 . C parsed_1kft 1
49 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -18.0 . . 58 . N . 58 . CA . 58 . C . 59 . N parsed_1kft 1
50 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -116.0 -56.0 . . 63 . C . 64 . N . 64 . CA . 64 . C parsed_1kft 1
51 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 85.0 169.0 . . 64 . N . 64 . CA . 64 . C . 65 . N parsed_1kft 1
52 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -15.0 . . 66 . N . 66 . CA . 66 . C . 67 . N parsed_1kft 1
53 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -44.0 . . 66 . C . 67 . N . 67 . CA . 67 . C parsed_1kft 1
54 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.0 -20.0 . . 67 . N . 67 . CA . 67 . C . 68 . N parsed_1kft 1
55 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.0 -44.0 . . 67 . C . 68 . N . 68 . CA . 68 . C parsed_1kft 1
56 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -15.0 . . 68 . N . 68 . CA . 68 . C . 69 . N parsed_1kft 1
57 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 68 . C . 69 . N . 69 . CA . 69 . C parsed_1kft 1
58 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -62.0 -22.0 . . 69 . N . 69 . CA . 69 . C . 70 . N parsed_1kft 1
59 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -84.8 -44.8 . . 69 . C . 70 . N . 70 . CA . 70 . C parsed_1kft 1
60 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -58.0 -18.0 . . 70 . N . 70 . CA . 70 . C . 71 . N parsed_1kft 1
61 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.9 -45.9 . . 70 . C . 71 . N . 71 . CA . 71 . C parsed_1kft 1
62 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -60.3 -20.3 . . 71 . N . 71 . CA . 71 . C . 72 . N parsed_1kft 1
63 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 71 . C . 72 . N . 72 . CA . 72 . C parsed_1kft 1
64 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -23.0 . . 72 . N . 72 . CA . 72 . C . 73 . N parsed_1kft 1
65 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -85.0 -45.0 . . 72 . C . 73 . N . 73 . CA . 73 . C parsed_1kft 1
66 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -63.0 -23.0 . . 73 . N . 73 . CA . 73 . C . 74 . N parsed_1kft 1
67 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -90.0 -50.0 . . 73 . C . 74 . N . 74 . CA . 74 . C parsed_1kft 1
68 . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . -55.0 -15.0 . . 74 . N . 74 . CA . 74 . C . 75 . N parsed_1kft 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
;
UvrC TALOS derived dihedral angle restraints
phi residue 12
;
1 1 3 21 parsed_1kft 1
2 "psi residue 12" 6 1 6 21 parsed_1kft 1
3 "phi residue 15" 9 1 9 21 parsed_1kft 1
4 "psi residue 15" 12 1 12 21 parsed_1kft 1
5 "phi residue 27" 15 1 15 21 parsed_1kft 1
6 "psi residue 27" 18 1 18 21 parsed_1kft 1
7 "phi residue 29" 21 1 21 21 parsed_1kft 1
8 "psi residue 29" 24 1 24 21 parsed_1kft 1
9 "psi residue 35" 27 1 27 21 parsed_1kft 1
10 "phi residue 36" 30 1 30 21 parsed_1kft 1
11 "psi residue 36" 33 1 33 21 parsed_1kft 1
12 "phi residue 37" 36 1 36 21 parsed_1kft 1
13 "psi residue 37" 39 1 39 21 parsed_1kft 1
14 "phi residue 38" 42 1 42 21 parsed_1kft 1
15 "psi residue 38" 45 1 45 21 parsed_1kft 1
16 "phi residue 39" 48 1 48 21 parsed_1kft 1
17 "psi residue 39" 51 1 51 21 parsed_1kft 1
18 "phi residue 40" 54 1 54 21 parsed_1kft 1
19 "psi residue 40" 57 1 57 21 parsed_1kft 1
20 "phi residue 41" 60 1 60 21 parsed_1kft 1
21 "psi residue 41" 63 1 63 21 parsed_1kft 1
22 "phi residue 42" 66 1 66 21 parsed_1kft 1
23 "psi residue 42" 69 1 69 21 parsed_1kft 1
24 "phi residue 43" 72 1 72 21 parsed_1kft 1
25 "psi residue 43" 75 1 75 21 parsed_1kft 1
26 "phi residue 44" 78 1 78 21 parsed_1kft 1
27 "psi residue 44" 81 1 81 21 parsed_1kft 1
28 "phi residue 47" 84 1 84 21 parsed_1kft 1
29 "psi residue 47" 87 1 87 21 parsed_1kft 1
30 "phi residue 48" 90 1 90 21 parsed_1kft 1
31 "psi residue 48" 93 1 93 21 parsed_1kft 1
32 "phi residue 49" 96 1 96 21 parsed_1kft 1
33 "psi residue 49" 99 1 99 21 parsed_1kft 1
34 "phi residue 50" 102 1 102 21 parsed_1kft 1
35 "psi residue 50" 105 1 105 21 parsed_1kft 1
36 "phi residue 51" 108 1 108 21 parsed_1kft 1
37 "psi residue 51" 111 1 111 21 parsed_1kft 1
38 "phi residue 53" 114 1 114 21 parsed_1kft 1
39 "psi residue 53" 117 1 117 21 parsed_1kft 1
40 "phi residue 54" 120 1 120 21 parsed_1kft 1
41 "psi residue 54" 123 1 123 21 parsed_1kft 1
42 "phi residue 55" 126 1 126 21 parsed_1kft 1
43 "psi residue 55" 129 1 129 21 parsed_1kft 1
44 "phi residue 56" 132 1 132 21 parsed_1kft 1
45 "psi residue 56" 135 1 135 21 parsed_1kft 1
46 "phi residue 57" 138 1 138 21 parsed_1kft 1
47 "psi residue 57" 141 1 141 21 parsed_1kft 1
48 "phi residue 58" 144 1 144 21 parsed_1kft 1
49 "psi residue 58" 147 1 147 21 parsed_1kft 1
50 "phi residue 64" 150 1 150 21 parsed_1kft 1
51 "psi residue 64" 153 1 153 21 parsed_1kft 1
52 "psi residue 66" 156 1 156 21 parsed_1kft 1
53 "phi residue 67" 159 1 159 21 parsed_1kft 1
54 "psi residue 67" 162 1 162 21 parsed_1kft 1
55 "phi residue 68" 165 1 165 21 parsed_1kft 1
56 "psi residue 68" 168 1 168 21 parsed_1kft 1
57 "phi residue 69" 171 1 171 21 parsed_1kft 1
58 "psi residue 69" 174 1 174 21 parsed_1kft 1
59 "phi residue 70" 177 1 177 21 parsed_1kft 1
60 "psi residue 70" 180 1 180 21 parsed_1kft 1
61 "phi residue 71" 183 1 183 21 parsed_1kft 1
62 "psi residue 71" 186 1 186 21 parsed_1kft 1
63 "phi residue 72" 189 1 189 21 parsed_1kft 1
64 "psi residue 72" 192 1 192 21 parsed_1kft 1
65 "phi residue 73" 195 1 195 21 parsed_1kft 1
66 "psi residue 73" 198 1 198 21 parsed_1kft 1
67 "phi residue 74" 201 1 201 21 parsed_1kft 1
68 "psi residue 74" 204 1 204 21 parsed_1kft 1
stop_
save_
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