NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
614998 |
5uzf   |
30254 | cing | 2-parsed | STAR | dipolar coupling | 67 |
data_5uzf_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5uzf
_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_5uzf 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5uzf
_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 5uzf "Master copy" parsed_5uzf
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5uzf
_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 5uzf.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5uzf 1
1 5uzf.mr . . XPLOR/CNS 2 "dipolar coupling" "Not applicable" "Not applicable" 67 parsed_5uzf 1
1 5uzf.mr . . XPLOR/CNS 3 distance NOE simple 0 parsed_5uzf 1
1 5uzf.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5uzf 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_2
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_5uzf
_RDC_constraint_list.ID 1
_RDC_constraint_list.Constraint_file_ID 1
_RDC_constraint_list.Block_ID 2
_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 . . . . . . . . . . . . . . . . 26.10 23.1000 29.1000 . . . 2 . C1' . 2 . H1' parsed_5uzf 1
2 . . . . . . . . . . . . . . . . 24.50 21.5000 27.5000 . . . 3 . C1' . 3 . H1' parsed_5uzf 1
3 . . . . . . . . . . . . . . . . 20.30 17.3000 23.3000 . . . 4 . C1' . 4 . H1' parsed_5uzf 1
4 . . . . . . . . . . . . . . . . 34.10 31.1000 37.1000 . . . 5 . C1' . 5 . H1' parsed_5uzf 1
5 . . . . . . . . . . . . . . . . 30.30 27.3000 33.3000 . . . 6 . C1' . 6 . H1' parsed_5uzf 1
6 . . . . . . . . . . . . . . . . 26.80 23.8000 29.8000 . . . 7 . C1' . 7 . H1' parsed_5uzf 1
7 . . . . . . . . . . . . . . . . 28.40 25.4000 31.4000 . . . 8 . C1' . 8 . H1' parsed_5uzf 1
8 . . . . . . . . . . . . . . . . 26.40 23.4000 29.4000 . . . 9 . C1' . 9 . H1' parsed_5uzf 1
9 . . . . . . . . . . . . . . . . 19.50 16.5000 22.5000 . . . 10 . C1' . 10 . H1' parsed_5uzf 1
10 . . . . . . . . . . . . . . . . 20.50 17.5000 23.5000 . . . 11 . C1' . 11 . H1' parsed_5uzf 1
11 . . . . . . . . . . . . . . . . 13.00 10.0000 16.0000 . . . 14 . C1' . 14 . H1' parsed_5uzf 1
12 . . . . . . . . . . . . . . . . 12.40 9.4000 15.4000 . . . 15 . C1' . 15 . H1' parsed_5uzf 1
13 . . . . . . . . . . . . . . . . 27.90 24.9000 30.9000 . . . 16 . C1' . 16 . H1' parsed_5uzf 1
14 . . . . . . . . . . . . . . . . 24.40 21.4000 27.4000 . . . 17 . C1' . 17 . H1' parsed_5uzf 1
15 . . . . . . . . . . . . . . . . 27.20 24.2000 30.2000 . . . 18 . C1' . 18 . H1' parsed_5uzf 1
16 . . . . . . . . . . . . . . . . 27.60 24.6000 30.6000 . . . 19 . C1' . 19 . H1' parsed_5uzf 1
17 . . . . . . . . . . . . . . . . 25.70 22.7000 28.7000 . . . 20 . C1' . 20 . H1' parsed_5uzf 1
18 . . . . . . . . . . . . . . . . 24.90 21.9000 27.9000 . . . 21 . C1' . 21 . H1' parsed_5uzf 1
19 . . . . . . . . . . . . . . . . 29.30 26.3000 32.3000 . . . 22 . C1' . 22 . H1' parsed_5uzf 1
20 . . . . . . . . . . . . . . . . 18.70 15.7000 21.7000 . . . 23 . C1' . 23 . H1' parsed_5uzf 1
21 . . . . . . . . . . . . . . . . 0.50 -2.5000 3.5000 . . . 2 . C4' . 2 . H4' parsed_5uzf 1
22 . . . . . . . . . . . . . . . . -7.400 -10.4000 -4.4000 . . . 3 . C4' . 3 . H4' parsed_5uzf 1
23 . . . . . . . . . . . . . . . . -7.40 -10.4000 -4.4000 . . . 4 . C4' . 4 . H4' parsed_5uzf 1
24 . . . . . . . . . . . . . . . . 9.00 6.0000 12.0000 . . . 5 . C4' . 5 . H4' parsed_5uzf 1
25 . . . . . . . . . . . . . . . . 9.40 6.4000 12.4000 . . . 6 . C4' . 6 . H4' parsed_5uzf 1
26 . . . . . . . . . . . . . . . . 10.80 7.8000 13.8000 . . . 7 . C4' . 7 . H4' parsed_5uzf 1
27 . . . . . . . . . . . . . . . . 23.50 20.5000 26.5000 . . . 8 . C4' . 8 . H4' parsed_5uzf 1
28 . . . . . . . . . . . . . . . . 22.60 19.6000 25.6000 . . . 9 . C4' . 9 . H4' parsed_5uzf 1
29 . . . . . . . . . . . . . . . . 19.10 16.1000 22.1000 . . . 10 . C4' . 10 . H4' parsed_5uzf 1
30 . . . . . . . . . . . . . . . . 2.50 -0.5000 5.5000 . . . 15 . C4' . 15 . H4' parsed_5uzf 1
31 . . . . . . . . . . . . . . . . -9.60 -12.6000 -6.6000 . . . 16 . C4' . 16 . H4' parsed_5uzf 1
32 . . . . . . . . . . . . . . . . -5.00 -8.0000 -2.0000 . . . 17 . C4' . 17 . H4' parsed_5uzf 1
33 . . . . . . . . . . . . . . . . -4.00 -7.0000 -1.0000 . . . 18 . C4' . 18 . H4' parsed_5uzf 1
34 . . . . . . . . . . . . . . . . 1.20 -1.8000 4.2000 . . . 19 . C4' . 19 . H4' parsed_5uzf 1
35 . . . . . . . . . . . . . . . . 12.10 9.1000 15.1000 . . . 20 . C4' . 20 . H4' parsed_5uzf 1
36 . . . . . . . . . . . . . . . . 16.10 13.1000 19.1000 . . . 21 . C4' . 21 . H4' parsed_5uzf 1
37 . . . . . . . . . . . . . . . . 23.90 20.9000 26.9000 . . . 22 . C4' . 22 . H4' parsed_5uzf 1
38 . . . . . . . . . . . . . . . . 28.40 25.4000 31.4000 . . . 23 . C4' . 23 . H4' parsed_5uzf 1
39 . . . . . . . . . . . . . . . . 24.50 21.5000 27.5000 . . . 2 . C8 . 2 . H8 parsed_5uzf 1
40 . . . . . . . . . . . . . . . . 31.80 28.8000 34.8000 . . . 3 . C8 . 3 . H8 parsed_5uzf 1
41 . . . . . . . . . . . . . . . . 36.70 33.7000 39.7000 . . . 4 . C6 . 4 . H6 parsed_5uzf 1
42 . . . . . . . . . . . . . . . . 31.90 28.9000 34.9000 . . . 6 . C6 . 6 . H6 parsed_5uzf 1
43 . . . . . . . . . . . . . . . . 31.10 28.1000 34.1000 . . . 7 . C6 . 7 . H6 parsed_5uzf 1
44 . . . . . . . . . . . . . . . . 29.50 26.5000 32.5000 . . . 8 . C6 . 8 . H6 parsed_5uzf 1
45 . . . . . . . . . . . . . . . . 33.00 30.0000 36.0000 . . . 9 . C6 . 9 . H6 parsed_5uzf 1
46 . . . . . . . . . . . . . . . . 30.50 27.5000 33.5000 . . . 10 . C8 . 10 . H8 parsed_5uzf 1
47 . . . . . . . . . . . . . . . . 24.60 21.6000 27.6000 . . . 11 . C8 . 11 . H8 parsed_5uzf 1
48 . . . . . . . . . . . . . . . . 21.70 18.7000 24.7000 . . . 14 . C6 . 14 . H6 parsed_5uzf 1
49 . . . . . . . . . . . . . . . . 22.60 19.6000 25.6000 . . . 15 . C6 . 15 . H6 parsed_5uzf 1
50 . . . . . . . . . . . . . . . . 32.20 29.2000 35.2000 . . . 16 . C8 . 16 . H8 parsed_5uzf 1
51 . . . . . . . . . . . . . . . . 33.10 30.1000 36.1000 . . . 17 . C8 . 17 . H8 parsed_5uzf 1
52 . . . . . . . . . . . . . . . . 34.80 31.8000 37.8000 . . . 18 . C8 . 18 . H8 parsed_5uzf 1
53 . . . . . . . . . . . . . . . . 32.70 29.7000 35.7000 . . . 19 . C8 . 19 . H8 parsed_5uzf 1
54 . . . . . . . . . . . . . . . . 30.40 27.4000 33.4000 . . . 20 . C8 . 20 . H8 parsed_5uzf 1
55 . . . . . . . . . . . . . . . . 36.50 33.5000 39.5000 . . . 21 . C8 . 21 . H8 parsed_5uzf 1
56 . . . . . . . . . . . . . . . . 31.60 28.6000 34.6000 . . . 22 . C6 . 22 . H6 parsed_5uzf 1
57 . . . . . . . . . . . . . . . . 28.60 25.6000 31.6000 . . . 23 . C6 . 23 . H6 parsed_5uzf 1
58 . . . . . . . . . . . . . . . . 25.60 22.6000 28.6000 . . . 14 . C5 . 14 . H5 parsed_5uzf 1
59 . . . . . . . . . . . . . . . . 15.20 12.2000 18.2000 . . . 15 . C5 . 15 . H5 parsed_5uzf 1
60 . . . . . . . . . . . . . . . . 31.40 28.4000 34.4000 . . . 23 . C5 . 23 . H5 parsed_5uzf 1
61 . . . . . . . . . . . . . . . . 24.70 21.7000 27.7000 . . . 3 . C2 . 3 . H2 parsed_5uzf 1
62 . . . . . . . . . . . . . . . . 24.00 21.0000 27.0000 . . . 16 . C2 . 16 . H2 parsed_5uzf 1
63 . . . . . . . . . . . . . . . . 29.20 26.2000 32.2000 . . . 17 . C2 . 17 . H2 parsed_5uzf 1
64 . . . . . . . . . . . . . . . . 34.20 31.2000 37.2000 . . . 18 . C2 . 18 . H2 parsed_5uzf 1
65 . . . . . . . . . . . . . . . . 32.50 29.5000 35.5000 . . . 19 . C2 . 19 . H2 parsed_5uzf 1
66 . . . . . . . . . . . . . . . . 32.10 29.1000 35.1000 . . . 20 . C2 . 20 . H2 parsed_5uzf 1
67 . . . . . . . . . . . . . . . . 31.70 28.7000 34.7000 . . . 21 . C2 . 21 . H2 parsed_5uzf 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_5uzf 1
2 "2nd strand" 76 1 78 2 parsed_5uzf 1
3 "First strand DC correct. version" 150 1 152 2 parsed_5uzf 1
4 "2nd strand" 217 1 219 2 parsed_5uzf 1
5 "Base dipolar coupling" 284 1 285 2 parsed_5uzf 1
6 check 312 61 312 67 parsed_5uzf 1
7 check 319 61 319 67 parsed_5uzf 1
8
;
2nd strand
Base dipolar coupling
;
350 1 352 2 parsed_5uzf 1
9 check 394 61 394 67 parsed_5uzf 1
10 "C5-H5 CYT RDCs" 424 1 424 17 parsed_5uzf 1
11 "C2-H2 ADE RDCs" 448 1 448 17 parsed_5uzf 1
12 check 491 61 491 67 parsed_5uzf 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 1: dipolar_all.tbl" 1 1 1 36 parsed_5uzf 1
stop_
save_
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