NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
614991 |
5uzd   |
30253 | cing | 2-parsed | STAR | dipolar coupling | 57 |
data_5uzd_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5uzd
_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_5uzd 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5uzd
_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 5uzd "Master copy" parsed_5uzd
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5uzd
_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 5uzd.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5uzd 1
1 5uzd.mr . . XPLOR/CNS 2 distance NOE simple 284 parsed_5uzd 1
1 5uzd.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 57 parsed_5uzd 1
1 5uzd.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5uzd 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_5uzd
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 3
_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 . . . . . . . . . . . . . . . . 12.80 9.8000 15.8000 . . . 2 . C1' . 2 . H1' parsed_5uzd 1
2 . . . . . . . . . . . . . . . . 19.60 16.6000 22.6000 . . . 3 . C1' . 3 . H1' parsed_5uzd 1
3 . . . . . . . . . . . . . . . . 9.10 6.1000 12.1000 . . . 4 . C1' . 4 . H1' parsed_5uzd 1
4 . . . . . . . . . . . . . . . . 17.90 14.9000 20.9000 . . . 5 . C1' . 5 . H1' parsed_5uzd 1
5 . . . . . . . . . . . . . . . . 24.50 21.5000 27.5000 . . . 6 . C1' . 6 . H1' parsed_5uzd 1
6 . . . . . . . . . . . . . . . . 19.80 16.8000 22.8000 . . . 7 . C1' . 7 . H1' parsed_5uzd 1
7 . . . . . . . . . . . . . . . . 25.90 22.9000 28.9000 . . . 8 . C1' . 8 . H1' parsed_5uzd 1
8 . . . . . . . . . . . . . . . . 23.50 20.5000 26.5000 . . . 9 . C1' . 9 . H1' parsed_5uzd 1
9 . . . . . . . . . . . . . . . . 19.70 16.7000 22.7000 . . . 10 . C1' . 10 . H1' parsed_5uzd 1
10 . . . . . . . . . . . . . . . . 21.70 18.7000 24.7000 . . . 11 . C1' . 11 . H1' parsed_5uzd 1
11 . . . . . . . . . . . . . . . . 14.20 11.2000 17.2000 . . . 14 . C1' . 14 . H1' parsed_5uzd 1
12 . . . . . . . . . . . . . . . . 15.40 12.4000 18.4000 . . . 15 . C1' . 15 . H1' parsed_5uzd 1
13 . . . . . . . . . . . . . . . . 28.10 25.1000 31.1000 . . . 16 . C1' . 16 . H1' parsed_5uzd 1
14 . . . . . . . . . . . . . . . . 22.10 19.1000 25.1000 . . . 17 . C1' . 17 . H1' parsed_5uzd 1
15 . . . . . . . . . . . . . . . . 22.10 19.1000 25.1000 . . . 18 . C1' . 18 . H1' parsed_5uzd 1
16 . . . . . . . . . . . . . . . . 19.60 16.6000 22.6000 . . . 19 . C1' . 19 . H1' parsed_5uzd 1
17 . . . . . . . . . . . . . . . . 16.10 13.1000 19.1000 . . . 20 . C1' . 20 . H1' parsed_5uzd 1
18 . . . . . . . . . . . . . . . . 23.50 20.5000 26.5000 . . . 21 . C1' . 21 . H1' parsed_5uzd 1
19 . . . . . . . . . . . . . . . . 23.80 20.8000 26.8000 . . . 22 . C1' . 22 . H1' parsed_5uzd 1
20 . . . . . . . . . . . . . . . . -11.90 -14.9000 -8.9000 . . . 3 . C4' . 3 . H4' parsed_5uzd 1
21 . . . . . . . . . . . . . . . . -8.50 -11.5000 -5.5000 . . . 4 . C4' . 4 . H4' parsed_5uzd 1
22 . . . . . . . . . . . . . . . . 9.90 6.9000 12.9000 . . . 5 . C4' . 5 . H4' parsed_5uzd 1
23 . . . . . . . . . . . . . . . . 12.50 9.5000 15.5000 . . . 6 . C4' . 6 . H4' parsed_5uzd 1
24 . . . . . . . . . . . . . . . . 13.70 10.7000 16.7000 . . . 7 . C4' . 7 . H4' parsed_5uzd 1
25 . . . . . . . . . . . . . . . . 12.20 9.2000 15.2000 . . . 8 . C4' . 8 . H4' parsed_5uzd 1
26 . . . . . . . . . . . . . . . . 12.30 9.3000 15.3000 . . . 9 . C4' . 9 . H4' parsed_5uzd 1
27 . . . . . . . . . . . . . . . . 25.70 22.7000 28.7000 . . . 10 . C4' . 10 . H4' parsed_5uzd 1
28 . . . . . . . . . . . . . . . . 10.90 7.9000 13.9000 . . . 15 . C4' . 15 . H4' parsed_5uzd 1
29 . . . . . . . . . . . . . . . . -4.30 -7.3000 -1.3000 . . . 16 . C4' . 16 . H4' parsed_5uzd 1
30 . . . . . . . . . . . . . . . . 0.30 -2.7000 3.3000 . . . 17 . C4' . 17 . H4' parsed_5uzd 1
31 . . . . . . . . . . . . . . . . 8.40 5.4000 11.4000 . . . 18 . C4' . 18 . H4' parsed_5uzd 1
32 . . . . . . . . . . . . . . . . 3.30 0.3000 6.3000 . . . 19 . C4' . 19 . H4' parsed_5uzd 1
33 . . . . . . . . . . . . . . . . 19.00 16.0000 22.0000 . . . 21 . C4' . 21 . H4' parsed_5uzd 1
34 . . . . . . . . . . . . . . . . 26.10 23.1000 29.1000 . . . 22 . C4' . 22 . H4' parsed_5uzd 1
35 . . . . . . . . . . . . . . . . 21.70 18.7000 24.7000 . . . 3 . C8 . 3 . H8 parsed_5uzd 1
36 . . . . . . . . . . . . . . . . 29.40 26.4000 32.4000 . . . 5 . C6 . 5 . H6 parsed_5uzd 1
37 . . . . . . . . . . . . . . . . 34.80 31.8000 37.8000 . . . 6 . C8 . 6 . H8 parsed_5uzd 1
38 . . . . . . . . . . . . . . . . 31.10 28.1000 34.1000 . . . 8 . C6 . 8 . H6 parsed_5uzd 1
39 . . . . . . . . . . . . . . . . 27.40 24.4000 30.4000 . . . 9 . C6 . 9 . H6 parsed_5uzd 1
40 . . . . . . . . . . . . . . . . 26.10 23.1000 29.1000 . . . 10 . C8 . 10 . H8 parsed_5uzd 1
41 . . . . . . . . . . . . . . . . 24.10 21.1000 27.1000 . . . 11 . C8 . 11 . H8 parsed_5uzd 1
42 . . . . . . . . . . . . . . . . 21.70 18.7000 24.7000 . . . 15 . C6 . 15 . H6 parsed_5uzd 1
43 . . . . . . . . . . . . . . . . 25.80 22.8000 28.8000 . . . 16 . C8 . 16 . H8 parsed_5uzd 1
44 . . . . . . . . . . . . . . . . 30.40 27.4000 33.4000 . . . 17 . C8 . 17 . H8 parsed_5uzd 1
45 . . . . . . . . . . . . . . . . 32.70 29.7000 35.7000 . . . 18 . C6 . 18 . H6 parsed_5uzd 1
46 . . . . . . . . . . . . . . . . 34.70 31.7000 37.7000 . . . 19 . C6 . 19 . H6 parsed_5uzd 1
47 . . . . . . . . . . . . . . . . 30.50 27.5000 33.5000 . . . 20 . C8 . 20 . H8 parsed_5uzd 1
48 . . . . . . . . . . . . . . . . 25.90 22.9000 28.9000 . . . 22 . C6 . 22 . H6 parsed_5uzd 1
49 . . . . . . . . . . . . . . . . 26.00 23.0000 29.0000 . . . 5 . C5 . 5 . H5 parsed_5uzd 1
50 . . . . . . . . . . . . . . . . 25.00 22.0000 28.0000 . . . 14 . C5 . 14 . H5 parsed_5uzd 1
51 . . . . . . . . . . . . . . . . 23.70 20.7000 26.7000 . . . 15 . C5 . 15 . H5 parsed_5uzd 1
52 . . . . . . . . . . . . . . . . 29.00 26.0000 32.0000 . . . 19 . C5 . 19 . H5 parsed_5uzd 1
53 . . . . . . . . . . . . . . . . 17.40 14.4000 20.4000 . . . 3 . C2 . 3 . H2 parsed_5uzd 1
54 . . . . . . . . . . . . . . . . 33.90 30.9000 36.9000 . . . 7 . C2 . 7 . H2 parsed_5uzd 1
55 . . . . . . . . . . . . . . . . 23.30 20.3000 26.3000 . . . 16 . C2 . 16 . H2 parsed_5uzd 1
56 . . . . . . . . . . . . . . . . 27.10 24.1000 30.1000 . . . 17 . C2 . 17 . H2 parsed_5uzd 1
57 . . . . . . . . . . . . . . . . 32.30 29.3000 35.3000 . . . 21 . C2 . 21 . H2 parsed_5uzd 1
stop_
loop_
_RDC_constraint_comment_org.ID
_RDC_constraint_comment_org.Comment_text
_RDC_constraint_comment_org.Comment_begin_line
_RDC_constraint_comment_org.Comment_begin_column
_RDC_constraint_comment_org.Comment_end_line
_RDC_constraint_comment_org.Comment_end_column
_RDC_constraint_comment_org.Entry_ID
_RDC_constraint_comment_org.RDC_constraint_list_ID
1 "First strand DC correct. version" 2 1 4 2 parsed_5uzd 1
2 "2nd strand" 76 1 78 2 parsed_5uzd 1
3 "First strand DC correct. version" 143 1 145 2 parsed_5uzd 1
4 "2nd strand" 203 1 205 2 parsed_5uzd 1
5
;
First strand
Base dipolar coupling
;
256 1 258 2 parsed_5uzd 1
6
;
2nd strand
Base dipolar coupling
;
309 1 311 2 parsed_5uzd 1
7 check 339 61 339 67 parsed_5uzd 1
8 "C5-H5 CYT RDCs" 362 1 362 17 parsed_5uzd 1
9 "C2-H2 ADE RDCs" 393 1 393 17 parsed_5uzd 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 "# Restraints file 2: dipolar_all.tbl" 1 1 1 36 parsed_5uzd 1
stop_
save_
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