NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | item_count |
|
|
615007 |
5uzi   |
30255 | cing | 2-parsed | STAR | dipolar coupling | 59 |
data_5uzi_MR_file_constraints
save_Conversion_project
_Study_list.Sf_category study_list
_Study_list.Entry_ID parsed_5uzi
_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_5uzi 1
stop_
save_
save_entry_information
_Entry.Sf_category entry_information
_Entry.ID parsed_5uzi
_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 5uzi "Master copy" parsed_5uzi
stop_
save_
save_global_Org_file_characteristics
_Constraint_stat_list.Sf_category constraint_statistics
_Constraint_stat_list.Entry_ID parsed_5uzi
_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 5uzi.mr . . "MR format" 1 comment "Not applicable" "Not applicable" 0 parsed_5uzi 1
1 5uzi.mr . . XPLOR/CNS 2 distance NOE simple 261 parsed_5uzi 1
1 5uzi.mr . . XPLOR/CNS 3 "dipolar coupling" "Not applicable" "Not applicable" 59 parsed_5uzi 1
1 5uzi.mr . . "MR format" 4 "nomenclature mapping" "Not applicable" "Not applicable" 0 parsed_5uzi 1
stop_
save_
save_CNS/XPLOR_dipolar_coupling_3
_RDC_constraint_list.Sf_category RDC_constraints
_RDC_constraint_list.Entry_ID parsed_5uzi
_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 . . . . . . . . . . . . . . . . 25.40 22.4000 28.4000 . . . 3 . C1' . 3 . H1' parsed_5uzi 1
2 . . . . . . . . . . . . . . . . 22.00 19.0000 25.0000 . . . 4 . C1' . 4 . H1' parsed_5uzi 1
3 . . . . . . . . . . . . . . . . 31.00 28.0000 34.0000 . . . 5 . C1' . 5 . H1' parsed_5uzi 1
4 . . . . . . . . . . . . . . . . 33.20 30.2000 36.2000 . . . 6 . C1' . 6 . H1' parsed_5uzi 1
5 . . . . . . . . . . . . . . . . 31.80 28.8000 34.8000 . . . 7 . C1' . 7 . H1' parsed_5uzi 1
6 . . . . . . . . . . . . . . . . 28.10 25.1000 31.1000 . . . 8 . C1' . 8 . H1' parsed_5uzi 1
7 . . . . . . . . . . . . . . . . 25.50 22.5000 28.5000 . . . 9 . C1' . 9 . H1' parsed_5uzi 1
8 . . . . . . . . . . . . . . . . 18.70 15.7000 21.7000 . . . 10 . C1' . 10 . H1' parsed_5uzi 1
9 . . . . . . . . . . . . . . . . 22.00 19.0000 25.0000 . . . 11 . C1' . 11 . H1' parsed_5uzi 1
10 . . . . . . . . . . . . . . . . 15.70 12.7000 18.7000 . . . 15 . C1' . 15 . H1' parsed_5uzi 1
11 . . . . . . . . . . . . . . . . 22.90 19.9000 25.9000 . . . 17 . C1' . 17 . H1' parsed_5uzi 1
12 . . . . . . . . . . . . . . . . 29.30 26.3000 32.3000 . . . 18 . C1' . 18 . H1' parsed_5uzi 1
13 . . . . . . . . . . . . . . . . 33.20 30.2000 36.2000 . . . 19 . C1' . 19 . H1' parsed_5uzi 1
14 . . . . . . . . . . . . . . . . 24.10 21.1000 27.1000 . . . 20 . C1' . 20 . H1' parsed_5uzi 1
15 . . . . . . . . . . . . . . . . 25.90 22.9000 28.9000 . . . 21 . C1' . 21 . H1' parsed_5uzi 1
16 . . . . . . . . . . . . . . . . 31.00 28.0000 34.0000 . . . 22 . C1' . 22 . H1' parsed_5uzi 1
17 . . . . . . . . . . . . . . . . -2.40 -5.4000 0.6000 . . . 2 . C4' . 2 . H4' parsed_5uzi 1
18 . . . . . . . . . . . . . . . . -14.40 -17.4000 -11.4000 . . . 3 . C4' . 3 . H4' parsed_5uzi 1
19 . . . . . . . . . . . . . . . . -5.80 -8.8000 -2.8000 . . . 4 . C4' . 4 . H4' parsed_5uzi 1
20 . . . . . . . . . . . . . . . . 13.60 10.6000 16.6000 . . . 5 . C4' . 5 . H4' parsed_5uzi 1
21 . . . . . . . . . . . . . . . . 8.00 5.0000 11.0000 . . . 6 . C4' . 6 . H4' parsed_5uzi 1
22 . . . . . . . . . . . . . . . . 12.80 9.8000 15.8000 . . . 7 . C4' . 7 . H4' parsed_5uzi 1
23 . . . . . . . . . . . . . . . . 6.40 3.4000 9.4000 . . . 8 . C4' . 8 . H4' parsed_5uzi 1
24 . . . . . . . . . . . . . . . . 30.10 27.1000 33.1000 . . . 9 . C4' . 9 . H4' parsed_5uzi 1
25 . . . . . . . . . . . . . . . . 28.80 25.8000 31.8000 . . . 10 . C4' . 10 . H4' parsed_5uzi 1
26 . . . . . . . . . . . . . . . . 25.20 22.2000 28.2000 . . . 11 . C4' . 11 . H4' parsed_5uzi 1
27 . . . . . . . . . . . . . . . . -18.10 -21.1000 -15.1000 . . . 15 . C4' . 15 . H4' parsed_5uzi 1
28 . . . . . . . . . . . . . . . . -0.80 -3.8000 2.2000 . . . 17 . C4' . 17 . H4' parsed_5uzi 1
29 . . . . . . . . . . . . . . . . 8.00 5.0000 11.0000 . . . 18 . C4' . 18 . H4' parsed_5uzi 1
30 . . . . . . . . . . . . . . . . 3.80 0.8000 6.8000 . . . 19 . C4' . 19 . H4' parsed_5uzi 1
31 . . . . . . . . . . . . . . . . 9.60 6.6000 12.6000 . . . 20 . C4' . 20 . H4' parsed_5uzi 1
32 . . . . . . . . . . . . . . . . 17.20 14.2000 20.2000 . . . 21 . C4' . 21 . H4' parsed_5uzi 1
33 . . . . . . . . . . . . . . . . 28.80 25.8000 31.8000 . . . 22 . C4' . 22 . H4' parsed_5uzi 1
34 . . . . . . . . . . . . . . . . 29.10 26.1000 32.1000 . . . 23 . C4' . 23 . H4' parsed_5uzi 1
35 . . . . . . . . . . . . . . . . 25.90 22.9000 28.9000 . . . 2 . C8 . 2 . H8 parsed_5uzi 1
36 . . . . . . . . . . . . . . . . 31.30 28.3000 34.3000 . . . 3 . C8 . 3 . H8 parsed_5uzi 1
37 . . . . . . . . . . . . . . . . 38.70 35.7000 41.7000 . . . 4 . C6 . 4 . H6 parsed_5uzi 1
38 . . . . . . . . . . . . . . . . 34.90 31.9000 37.9000 . . . 5 . C6 . 5 . H6 parsed_5uzi 1
39 . . . . . . . . . . . . . . . . 31.90 28.9000 34.9000 . . . 6 . C6 . 6 . H6 parsed_5uzi 1
40 . . . . . . . . . . . . . . . . 32.60 29.6000 35.6000 . . . 7 . C6 . 7 . H6 parsed_5uzi 1
41 . . . . . . . . . . . . . . . . 37.40 34.4000 40.4000 . . . 9 . C6 . 9 . H6 parsed_5uzi 1
42 . . . . . . . . . . . . . . . . 29.50 26.5000 32.5000 . . . 10 . C8 . 10 . H8 parsed_5uzi 1
43 . . . . . . . . . . . . . . . . 26.00 23.0000 29.0000 . . . 15 . C6 . 15 . H6 parsed_5uzi 1
44 . . . . . . . . . . . . . . . . 14.60 11.6000 17.6000 . . . 16 . C8 . 16 . H8 parsed_5uzi 1
45 . . . . . . . . . . . . . . . . 31.90 28.9000 34.9000 . . . 18 . C8 . 18 . H8 parsed_5uzi 1
46 . . . . . . . . . . . . . . . . 31.70 28.7000 34.7000 . . . 19 . C8 . 19 . H8 parsed_5uzi 1
47 . . . . . . . . . . . . . . . . 33.90 30.9000 36.9000 . . . 20 . C8 . 20 . H8 parsed_5uzi 1
48 . . . . . . . . . . . . . . . . 35.60 32.6000 38.6000 . . . 21 . C8 . 21 . H8 parsed_5uzi 1
49 . . . . . . . . . . . . . . . . 35.60 32.6000 38.6000 . . . 22 . C6 . 22 . H6 parsed_5uzi 1
50 . . . . . . . . . . . . . . . . 29.70 26.7000 32.7000 . . . 23 . C6 . 23 . H6 parsed_5uzi 1
51 . . . . . . . . . . . . . . . . 24.70 21.7000 27.7000 . . . 14 . C5 . 14 . H5 parsed_5uzi 1
52 . . . . . . . . . . . . . . . . 20.00 17.0000 23.0000 . . . 15 . C5 . 15 . H5 parsed_5uzi 1
53 . . . . . . . . . . . . . . . . 35.90 32.9000 38.9000 . . . 23 . C5 . 23 . H5 parsed_5uzi 1
54 . . . . . . . . . . . . . . . . 26.30 23.3000 29.3000 . . . 3 . C2 . 3 . H2 parsed_5uzi 1
55 . . . . . . . . . . . . . . . . 22.00 19.0000 25.0000 . . . 16 . C2 . 16 . H2 parsed_5uzi 1
56 . . . . . . . . . . . . . . . . 34.30 31.3000 37.3000 . . . 18 . C2 . 18 . H2 parsed_5uzi 1
57 . . . . . . . . . . . . . . . . 31.20 28.2000 34.2000 . . . 19 . C2 . 19 . H2 parsed_5uzi 1
58 . . . . . . . . . . . . . . . . 32.30 29.3000 35.3000 . . . 20 . C2 . 20 . H2 parsed_5uzi 1
59 . . . . . . . . . . . . . . . . 39.50 36.5000 42.5000 . . . 21 . C2 . 21 . H2 parsed_5uzi 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_5uzi 1
2 "2nd strand" 69 1 71 2 parsed_5uzi 1
3 "First strand DC correct. version" 122 1 124 2 parsed_5uzi 1
4 check 180 61 180 67 parsed_5uzi 1
5 check 187 61 187 67 parsed_5uzi 1
6 "2nd strand" 196 1 198 2 parsed_5uzi 1
7 check 247 61 247 67 parsed_5uzi 1
8 "Base dipolar coupling" 256 1 257 2 parsed_5uzi 1
9
;
2nd strand
Base dipolar coupling
;
315 1 317 2 parsed_5uzi 1
10 check 338 61 338 67 parsed_5uzi 1
11 check 345 61 345 67 parsed_5uzi 1
12 "C5-H5 CYT RDCs" 375 1 375 17 parsed_5uzi 1
13 check 390 61 390 67 parsed_5uzi 1
14 "C2-H2 ADE RDCs" 399 1 399 17 parsed_5uzi 1
15 "only du-dd" 442 61 442 73 parsed_5uzi 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_5uzi 1
stop_
save_
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