NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
279003 |
2kkd   |
16849 | cing | 2-parsed | STAR | dipolar coupling | 66 |
data_2kkd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_2kkd
_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_2kkd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_2kkd
_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 2kkd "Master copy" parsed_2kkd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_2kkd
_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 2kkd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_2kkd 1
1 2kkd.mr . . DYANA/DIANA 2 distance NOE simple 857 parsed_2kkd 1
1 2kkd.mr . . DYANA/DIANA 3 distance "general distance" simple 18 parsed_2kkd 1
1 2kkd.mr . . DYANA/DIANA 4 "dipolar coupling" "Not applicable" "Not applicable" 66 parsed_2kkd 1
1 2kkd.mr . . "MR format" 5 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_2kkd 1
stop_
save_
save_DYANA/DIANA_dipolar_coupling_4
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_2kkd
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 4
_RDC_constraint_list.Details "Generated by Wattos"
loop_
_RDC_constraint.ID
_RDC_constraint.Assembly_atom_ID_1
_RDC_constraint.Entity_assembly_ID_1
_RDC_constraint.Entity_ID_1
_RDC_constraint.Comp_index_ID_1
_RDC_constraint.Seq_ID_1
_RDC_constraint.Comp_ID_1
_RDC_constraint.Atom_ID_1
_RDC_constraint.Resonance_ID_1
_RDC_constraint.Assembly_atom_ID_2
_RDC_constraint.Entity_assembly_ID_2
_RDC_constraint.Entity_ID_2
_RDC_constraint.Comp_index_ID_2
_RDC_constraint.Seq_ID_2
_RDC_constraint.Comp_ID_2
_RDC_constraint.Atom_ID_2
_RDC_constraint.Resonance_ID_2
_RDC_constraint.RDC_val
_RDC_constraint.RDC_lower_bound
_RDC_constraint.RDC_upper_bound
_RDC_constraint.RDC_val_err
_RDC_constraint.Source_experiment_ID
_RDC_constraint.Auth_asym_ID_1
_RDC_constraint.Auth_seq_ID_1
_RDC_constraint.Auth_comp_ID_1
_RDC_constraint.Auth_atom_ID_1
_RDC_constraint.Auth_asym_ID_2
_RDC_constraint.Auth_seq_ID_2
_RDC_constraint.Auth_comp_ID_2
_RDC_constraint.Auth_atom_ID_2
_RDC_constraint.Entry_ID
_RDC_constraint.RDC_constraint_list_ID
1 . . . . . . . . . . . . . . . . 0.17 . . 1 . . 2 LYS HA . . . . parsed_2kkd 1
2 . . . . . . . . . . . . . . . . 0.22 . . 1 . . 3 LYS HN . . . . parsed_2kkd 1
3 . . . . . . . . . . . . . . . . 0.32 . . 1 . . 3 LYS HA . . . . parsed_2kkd 1
4 . . . . . . . . . . . . . . . . 0.57 . . 1 . . 4 TYR HN . . . . parsed_2kkd 1
5 . . . . . . . . . . . . . . . . 0.77 . . 1 . . 4 TYR HA . . . . parsed_2kkd 1
6 . . . . . . . . . . . . . . . . 0.46 . . 1 . . 12 GLU HA . . . . parsed_2kkd 1
7 . . . . . . . . . . . . . . . . 0.80 . . 1 . . 13 TYR HN . . . . parsed_2kkd 1
8 . . . . . . . . . . . . . . . . 0.04 . . 1 . . 13 TYR HA . . . . parsed_2kkd 1
9 . . . . . . . . . . . . . . . . -0.11 . . 1 . . 14 ASP HN . . . . parsed_2kkd 1
10 . . . . . . . . . . . . . . . . 0.08 . . 1 . . 14 ASP HA . . . . parsed_2kkd 1
11 . . . . . . . . . . . . . . . . 0.14 . . 1 . . 15 PRO HA . . . . parsed_2kkd 1
12 . . . . . . . . . . . . . . . . 0.01 . . 1 . . 16 ALA HN . . . . parsed_2kkd 1
13 . . . . . . . . . . . . . . . . -0.00 . . 1 . . 16 ALA HA . . . . parsed_2kkd 1
14 . . . . . . . . . . . . . . . . -0.08 . . 1 . . 17 GLU HN . . . . parsed_2kkd 1
15 . . . . . . . . . . . . . . . . -0.14 . . 1 . . 17 GLU HA . . . . parsed_2kkd 1
16 . . . . . . . . . . . . . . . . -0.05 . . 1 . . 18 GLY HN . . . . parsed_2kkd 1
17 . . . . . . . . . . . . . . . . 0.07 . . 1 . . 18 GLY HA1 . . . . parsed_2kkd 1
18 . . . . . . . . . . . . . . . . -0.02 . . 1 . . 18 GLY HA2 . . . . parsed_2kkd 1
19 . . . . . . . . . . . . . . . . -0.03 . . 1 . . 19 ASP HN . . . . parsed_2kkd 1
20 . . . . . . . . . . . . . . . . -0.28 . . 1 . . 19 ASP HA . . . . parsed_2kkd 1
21 . . . . . . . . . . . . . . . . -0.23 . . 1 . . 21 ASP HN . . . . parsed_2kkd 1
22 . . . . . . . . . . . . . . . . -0.16 . . 1 . . 21 ASP HA . . . . parsed_2kkd 1
23 . . . . . . . . . . . . . . . . -0.08 . . 1 . . 22 ASN HN . . . . parsed_2kkd 1
24 . . . . . . . . . . . . . . . . 0.02 . . 1 . . 22 ASN HA . . . . parsed_2kkd 1
25 . . . . . . . . . . . . . . . . 0.00 . . 1 . . 23 GLY HN . . . . parsed_2kkd 1
26 . . . . . . . . . . . . . . . . 0.06 . . 1 . . 23 GLY HA1 . . . . parsed_2kkd 1
27 . . . . . . . . . . . . . . . . 0.02 . . 1 . . 23 GLY HA2 . . . . parsed_2kkd 1
28 . . . . . . . . . . . . . . . . 0.03 . . 1 . . 24 VAL HN . . . . parsed_2kkd 1
29 . . . . . . . . . . . . . . . . 0.11 . . 1 . . 24 VAL HA . . . . parsed_2kkd 1
30 . . . . . . . . . . . . . . . . 0.08 . . 1 . . 25 LYS HN . . . . parsed_2kkd 1
31 . . . . . . . . . . . . . . . . -0.00 . . 1 . . 25 LYS HA . . . . parsed_2kkd 1
32 . . . . . . . . . . . . . . . . -0.01 . . 1 . . 26 PRO HA . . . . parsed_2kkd 1
33 . . . . . . . . . . . . . . . . 0.04 . . 1 . . 27 GLY HN . . . . parsed_2kkd 1
34 . . . . . . . . . . . . . . . . 0.04 . . 1 . . 27 GLY HA1 . . . . parsed_2kkd 1
35 . . . . . . . . . . . . . . . . 0.05 . . 1 . . 27 GLY HA2 . . . . parsed_2kkd 1
36 . . . . . . . . . . . . . . . . 0.09 . . 1 . . 28 THR HN . . . . parsed_2kkd 1
37 . . . . . . . . . . . . . . . . 0.13 . . 1 . . 28 THR HA . . . . parsed_2kkd 1
38 . . . . . . . . . . . . . . . . 0.19 . . 1 . . 29 SER HN . . . . parsed_2kkd 1
39 . . . . . . . . . . . . . . . . 0.19 . . 1 . . 29 SER HA . . . . parsed_2kkd 1
40 . . . . . . . . . . . . . . . . 0.33 . . 1 . . 30 PHE HN . . . . parsed_2kkd 1
41 . . . . . . . . . . . . . . . . 0.52 . . 1 . . 30 PHE HA . . . . parsed_2kkd 1
42 . . . . . . . . . . . . . . . . 0.32 . . 1 . . 31 ASP HN . . . . parsed_2kkd 1
43 . . . . . . . . . . . . . . . . 0.30 . . 1 . . 31 ASP HA . . . . parsed_2kkd 1
44 . . . . . . . . . . . . . . . . 0.25 . . 1 . . 32 ASP HN . . . . parsed_2kkd 1
45 . . . . . . . . . . . . . . . . 0.19 . . 1 . . 32 ASP HA . . . . parsed_2kkd 1
46 . . . . . . . . . . . . . . . . 0.38 . . 1 . . 33 LEU HN . . . . parsed_2kkd 1
47 . . . . . . . . . . . . . . . . 0.35 . . 1 . . 33 LEU HA . . . . parsed_2kkd 1
48 . . . . . . . . . . . . . . . . 0.25 . . 1 . . 34 PRO HA . . . . parsed_2kkd 1
49 . . . . . . . . . . . . . . . . 0.03 . . 1 . . 35 ALA HN . . . . parsed_2kkd 1
50 . . . . . . . . . . . . . . . . 0.28 . . 1 . . 35 ALA HA . . . . parsed_2kkd 1
51 . . . . . . . . . . . . . . . . 0.28 . . 1 . . 36 ASP HN . . . . parsed_2kkd 1
52 . . . . . . . . . . . . . . . . 0.30 . . 1 . . 36 ASP HA . . . . parsed_2kkd 1
53 . . . . . . . . . . . . . . . . 0.54 . . 1 . . 37 TRP HN . . . . parsed_2kkd 1
54 . . . . . . . . . . . . . . . . 0.70 . . 1 . . 37 TRP HA . . . . parsed_2kkd 1
55 . . . . . . . . . . . . . . . . 0.67 . . 1 . . 46 LYS HN . . . . parsed_2kkd 1
56 . . . . . . . . . . . . . . . . 1.33 . . 1 . . 46 LYS HA . . . . parsed_2kkd 1
57 . . . . . . . . . . . . . . . . 0.01 . . 1 . . 47 SER HN . . . . parsed_2kkd 1
58 . . . . . . . . . . . . . . . . -0.01 . . 1 . . 47 SER HA . . . . parsed_2kkd 1
59 . . . . . . . . . . . . . . . . -0.59 . . 1 . . 48 GLU HN . . . . parsed_2kkd 1
60 . . . . . . . . . . . . . . . . 0.35 . . 1 . . 49 PHE HN . . . . parsed_2kkd 1
61 . . . . . . . . . . . . . . . . 1.46 . . 1 . . 49 PHE HA . . . . parsed_2kkd 1
62 . . . . . . . . . . . . . . . . 1.05 . . 1 . . 50 GLU HN . . . . parsed_2kkd 1
63 . . . . . . . . . . . . . . . . 0.36 . . 1 . . 51 ALA HN . . . . parsed_2kkd 1
64 . . . . . . . . . . . . . . . . 0.53 . . 1 . . 51 ALA HA . . . . parsed_2kkd 1
65 . . . . . . . . . . . . . . . . 0.41 . . 1 . . 52 ALA HN . . . . parsed_2kkd 1
66 . . . . . . . . . . . . . . . . 0.34 . . 1 . . 52 ALA HA . . . . parsed_2kkd 1
stop_
loop_
_RDC_constraint_parse_err.ID
_RDC_constraint_parse_err.Content
_RDC_constraint_parse_err.Begin_line
_RDC_constraint_parse_err.Begin_column
_RDC_constraint_parse_err.End_line
_RDC_constraint_parse_err.End_column
_RDC_constraint_parse_err.Entry_ID
_RDC_constraint_parse_err.RDC_constraint_list_ID
1 1.00 1 33 1 37 parsed_2kkd 1
2 1.00 2 33 2 37 parsed_2kkd 1
3 1.00 3 33 3 37 parsed_2kkd 1
4 1.00 4 33 4 37 parsed_2kkd 1
5 1.00 5 33 5 37 parsed_2kkd 1
6 1.00 6 33 6 37 parsed_2kkd 1
7 1.00 7 33 7 37 parsed_2kkd 1
8 1.00 8 33 8 37 parsed_2kkd 1
9 1.00 9 33 9 37 parsed_2kkd 1
10 1.00 10 33 10 37 parsed_2kkd 1
11 1.00 11 33 11 37 parsed_2kkd 1
12 1.00 12 33 12 37 parsed_2kkd 1
13 1.00 13 33 13 37 parsed_2kkd 1
14 1.00 14 33 14 37 parsed_2kkd 1
15 1.00 15 33 15 37 parsed_2kkd 1
16 1.00 16 33 16 37 parsed_2kkd 1
17 1.00 17 33 17 37 parsed_2kkd 1
18 1.00 18 33 18 37 parsed_2kkd 1
19 1.00 19 33 19 37 parsed_2kkd 1
20 1.00 20 33 20 37 parsed_2kkd 1
21 1.00 21 33 21 37 parsed_2kkd 1
22 1.00 22 33 22 37 parsed_2kkd 1
23 1.00 23 33 23 37 parsed_2kkd 1
24 1.00 24 33 24 37 parsed_2kkd 1
25 1.00 25 33 25 37 parsed_2kkd 1
26 1.00 26 33 26 37 parsed_2kkd 1
27 1.00 27 33 27 37 parsed_2kkd 1
28 1.00 28 33 28 37 parsed_2kkd 1
29 1.00 29 33 29 37 parsed_2kkd 1
30 1.00 30 33 30 37 parsed_2kkd 1
31 1.00 31 33 31 37 parsed_2kkd 1
32 1.00 32 33 32 37 parsed_2kkd 1
33 1.00 33 33 33 37 parsed_2kkd 1
34 1.00 34 33 34 37 parsed_2kkd 1
35 1.00 35 33 35 37 parsed_2kkd 1
36 1.00 36 33 36 37 parsed_2kkd 1
37 1.00 37 33 37 37 parsed_2kkd 1
38 1.00 38 33 38 37 parsed_2kkd 1
39 1.00 39 33 39 37 parsed_2kkd 1
40 1.00 40 33 40 37 parsed_2kkd 1
41 1.00 41 33 41 37 parsed_2kkd 1
42 1.00 42 33 42 37 parsed_2kkd 1
43 1.00 43 33 43 37 parsed_2kkd 1
44 1.00 44 33 44 37 parsed_2kkd 1
45 1.00 45 33 45 37 parsed_2kkd 1
46 1.00 46 33 46 37 parsed_2kkd 1
47 1.00 47 33 47 37 parsed_2kkd 1
48 1.00 48 33 48 37 parsed_2kkd 1
49 1.00 49 33 49 37 parsed_2kkd 1
50 1.00 50 33 50 37 parsed_2kkd 1
51 1.00 51 33 51 37 parsed_2kkd 1
52 1.00 52 33 52 37 parsed_2kkd 1
53 1.00 53 33 53 37 parsed_2kkd 1
54 1.00 54 33 54 37 parsed_2kkd 1
55 1.00 55 33 55 37 parsed_2kkd 1
56 1.00 56 33 56 37 parsed_2kkd 1
57 1.00 57 33 57 37 parsed_2kkd 1
58 1.00 58 33 58 37 parsed_2kkd 1
59 1.00 59 33 59 37 parsed_2kkd 1
60 1.00 60 33 60 37 parsed_2kkd 1
61 1.00 61 33 61 37 parsed_2kkd 1
62 1.00 62 33 62 37 parsed_2kkd 1
63 1.00 63 33 63 37 parsed_2kkd 1
64 1.00 64 33 64 37 parsed_2kkd 1
65 1.00 65 33 65 37 parsed_2kkd 1
66 1.00 66 33 66 37 parsed_2kkd 1
67
;
73 LTNS PCN
;
67 2 68 1 parsed_2kkd 1
stop_
save_
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