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test2.str
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9101 lines (8726 loc) · 558 KB
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data_c16102_2kd1
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID c16102_2kd1
_Entry.Title
;
Solution NMR Structure of the Integrase-Like Domain from Bacillus cereus Ordered Locus BC_1272. Northeast Structural Genomics Target BcR268F
;
_Entry.Version_type new
_Entry.Submission_date 2008-12-31
_Entry.Accession_date 2008-12-31
_Entry.Last_release_date .
_Entry.Original_release_date .
_Entry.Origination author
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Original_NMR_STAR_version 3.0.9.13
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype SOLUTION
_Entry.Details .
_Entry.BMRB_internal_directory_name .
loop_
_Entry_author.Ordinal
_Entry_author.Given_name
_Entry_author.Family_name
_Entry_author.First_initial
_Entry_author.Middle_initials
_Entry_author.Family_title
_Entry_author.Entry_ID
1 Paolo Rossi . . . c16102_2kd1
2 Hsiau-Wei Lee . . . c16102_2kd1
3 Melissa Maglaqui . . . c16102_2kd1
4 Erica Foote . L. . c16102_2kd1
5 William Buchwald . A. . c16102_2kd1
6 Mei Jiang . . . c16102_2kd1
7 Swapna Gurla . . . c16102_2kd1
8 Rajesh Nair . . . c16102_2kd1
9 Rong Xiao . . . c16102_2kd1
10 Thomas Acton . B. . c16102_2kd1
11 Burkhard Rost . . . c16102_2kd1
12 James Prestegard . H. . c16102_2kd1
13 Gaetano Montelione . T. . c16102_2kd1
stop_
loop_
_SG_project.SG_project_ID
_SG_project.Project_name
_SG_project.Full_name_of_center
_SG_project.Initial_of_center
_SG_project.Entry_ID
. 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . c16102_2kd1
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 c16102_2kd1
spectral_peak_list 3 c16102_2kd1
RDCs 1 c16102_2kd1
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 840 c16102_2kd1
'13C chemical shifts' 511 c16102_2kd1
'15N chemical shifts' 123 c16102_2kd1
stop_
loop_
_Release.Release_number
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
3 2010-05-27 2008-12-31 update BMRB 'edit entity/assembly name' c16102_2kd1
2 2009-06-01 2008-12-31 update BMRB 'added time domain data' c16102_2kd1
1 2009-02-19 2008-12-31 original author 'original release' c16102_2kd1
stop_
save_
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID c16102_2kd1
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID .
_Citation.Full_citation .
_Citation.Title 'Solution NMR Structure of the Integrase-Like Domain from Bacillus cereus Ordered Locus BC_1272. Northeast Structural Genomics Target BcR268F'
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev 'Not known'
_Citation.Journal_name_full .
_Citation.Journal_volume .
_Citation.Journal_issue .
_Citation.Journal_ASTM .
_Citation.Journal_ISSN .
_Citation.Journal_CSD .
_Citation.Book_title .
_Citation.Book_chapter_title .
_Citation.Book_volume .
_Citation.Book_series .
_Citation.Book_publisher .
_Citation.Book_publisher_city .
_Citation.Book_ISBN .
_Citation.Conference_title .
_Citation.Conference_site .
_Citation.Conference_state_province .
_Citation.Conference_country .
_Citation.Conference_start_date .
_Citation.Conference_end_date .
_Citation.Conference_abstract_number .
_Citation.Thesis_institution .
_Citation.Thesis_institution_city .
_Citation.Thesis_institution_country .
_Citation.WWW_URL .
_Citation.Page_first .
_Citation.Page_last .
_Citation.Year .
_Citation.Details .
loop_
_Citation_author.Ordinal
_Citation_author.Given_name
_Citation_author.Family_name
_Citation_author.First_initial
_Citation_author.Middle_initials
_Citation_author.Family_title
_Citation_author.Entry_ID
_Citation_author.Citation_ID
1 Paolo Rossi . . . c16102_2kd1 1
2 Hsiau-Wei Lee . . . c16102_2kd1 1
3 Rong Xiao . . . c16102_2kd1 1
4 Thomas Acton . . . c16102_2kd1 1
5 James Prestegard . H. . c16102_2kd1 1
6 Gaetano Montelione . . . c16102_2kd1 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'Solution NMR Structure' c16102_2kd1 1
'DNA Integration' c16102_2kd1 1
stop_
save_
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID c16102_2kd1
_Assembly.ID 1
_Assembly.Name BcR268F
_Assembly.BMRB_code .
_Assembly.Number_of_components 1
_Assembly.Organic_ligands .
_Assembly.Metal_ions .
_Assembly.Non_standard_bonds .
_Assembly.Ambiguous_conformational_states .
_Assembly.Ambiguous_chem_comp_sites .
_Assembly.Molecules_in_chemical_exchange .
_Assembly.Paramagnetic no
_Assembly.Thiol_state .
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Entity_assembly.ID
_Entity_assembly.Entity_assembly_name
_Entity_assembly.Entity_ID
_Entity_assembly.Entity_label
_Entity_assembly.Asym_ID
_Entity_assembly.PDB_chain_ID
_Entity_assembly.Experimental_data_reported
_Entity_assembly.Physical_state
_Entity_assembly.Conformational_isomer
_Entity_assembly.Chemical_exchange_state
_Entity_assembly.Magnetic_equivalence_group_code
_Entity_assembly.Role
_Entity_assembly.Details
_Entity_assembly.Entry_ID
_Entity_assembly.Assembly_ID
1 BcR268F 1 $entity A . yes native no no . . . c16102_2kd1 1
stop_
loop_
_Assembly_db_link.Author_supplied
_Assembly_db_link.Database_code
_Assembly_db_link.Accession_code
_Assembly_db_link.Entry_mol_code
_Assembly_db_link.Entry_mol_name
_Assembly_db_link.Entry_experimental_method
_Assembly_db_link.Entry_structure_resolution
_Assembly_db_link.Entry_relation_type
_Assembly_db_link.Entry_details
_Assembly_db_link.Entry_ID
_Assembly_db_link.Assembly_ID
yes PDB 1oug . . . . . . c16102_2kd1 1
stop_
save_
save_entity
_Entity.Sf_category entity
_Entity.Sf_framecode entity
_Entity.Entry_ID c16102_2kd1
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name BcR268F
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID A
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MEPSKLSYGEYLESWFNTKR
HSVGIQTAKVLKGYLNSRII
PSLGNIKLAKLTSLHMQNYV
NSLRDEGLKRGTIEKIIKVI
RNSLEHAIDLELITKNVAAK
TKLPKADKEELEHHHHHH
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states no
_Entity.Ambiguous_chem_comp_sites no
_Entity.Nstd_monomer no
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 118
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'not present'
_Entity.Src_method man
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 13570.846
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date 2011-01-08
_Entity.DB_query_revised_last_date 2011-01-08
loop_
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment
_Entity_db_link.Seq_query_to_submitted_percent
_Entity_db_link.Seq_subject_length
_Entity_db_link.Seq_identity
_Entity_db_link.Seq_positive
_Entity_db_link.Seq_homology_expectation_val
_Entity_db_link.Seq_align_begin
_Entity_db_link.Seq_align_end
_Entity_db_link.Seq_difference_details
_Entity_db_link.Seq_alignment_details
_Entity_db_link.Entry_ID
_Entity_db_link.Entity_ID
. SWS Q81GD4_BACCR . BC_1272 . . . . . . . . . . . . . . c16102_2kd1 1
no PDB 2KD1 . "Solution Nmr Structure Of The Integrase-Like Domain From Bacillus Cereus Ordered Locus Bc_1272. Northeast Structural Genomics Consortium Target Bcr268f" . . . . . 100.00 118 100.00 100.00 3.25e-61 . . . . c16102_2kd1 1
no GB AAP08256 . "DNA integration/recombination/invertion protein [Bacillus cereus ATCC 14579]" . . . . . 94.07 370 99.10 100.00 2.09e-56 . . . . c16102_2kd1 1
no GB EEL12452 . "DNA integration/recombination/invertion protein [Bacillus cereus BDRD-Cer4]" . . . . . 94.07 370 99.10 100.00 2.09e-56 . . . . c16102_2kd1 1
no REF NP_831055 . "DNA integration/recombination/invertion protein [Bacillus cereus ATCC 14579]" . . . . . 94.07 370 99.10 100.00 2.09e-56 . . . . c16102_2kd1 1
no REF ZP_04255698 . "DNA integration/recombination/invertion protein [Bacillus cereus BDRD-Cer4]" . . . . . 94.07 370 99.10 100.00 2.09e-56 . . . . c16102_2kd1 1
stop_
loop_
_Entity_biological_function.Biological_function
_Entity_biological_function.Entry_ID
_Entity_biological_function.Entity_ID
'DNA INTEGRATION' c16102_2kd1 1
stop_
loop_
_Entity_comp_index.ID
_Entity_comp_index.Auth_seq_ID
_Entity_comp_index.Comp_ID
_Entity_comp_index.Comp_label
_Entity_comp_index.Entry_ID
_Entity_comp_index.Entity_ID
1 . MET . c16102_2kd1 1
2 . GLU . c16102_2kd1 1
3 . PRO . c16102_2kd1 1
4 . SER . c16102_2kd1 1
5 . LYS . c16102_2kd1 1
6 . LEU . c16102_2kd1 1
7 . SER . c16102_2kd1 1
8 . TYR . c16102_2kd1 1
9 . GLY . c16102_2kd1 1
10 . GLU . c16102_2kd1 1
11 . TYR . c16102_2kd1 1
12 . LEU . c16102_2kd1 1
13 . GLU . c16102_2kd1 1
14 . SER . c16102_2kd1 1
15 . TRP . c16102_2kd1 1
16 . PHE . c16102_2kd1 1
17 . ASN . c16102_2kd1 1
18 . THR . c16102_2kd1 1
19 . LYS . c16102_2kd1 1
20 . ARG . c16102_2kd1 1
21 . HIS . c16102_2kd1 1
22 . SER . c16102_2kd1 1
23 . VAL . c16102_2kd1 1
24 . GLY . c16102_2kd1 1
25 . ILE . c16102_2kd1 1
26 . GLN . c16102_2kd1 1
27 . THR . c16102_2kd1 1
28 . ALA . c16102_2kd1 1
29 . LYS . c16102_2kd1 1
30 . VAL . c16102_2kd1 1
31 . LEU . c16102_2kd1 1
32 . LYS . c16102_2kd1 1
33 . GLY . c16102_2kd1 1
34 . TYR . c16102_2kd1 1
35 . LEU . c16102_2kd1 1
36 . ASN . c16102_2kd1 1
37 . SER . c16102_2kd1 1
38 . ARG . c16102_2kd1 1
39 . ILE . c16102_2kd1 1
40 . ILE . c16102_2kd1 1
41 . PRO . c16102_2kd1 1
42 . SER . c16102_2kd1 1
43 . LEU . c16102_2kd1 1
44 . GLY . c16102_2kd1 1
45 . ASN . c16102_2kd1 1
46 . ILE . c16102_2kd1 1
47 . LYS . c16102_2kd1 1
48 . LEU . c16102_2kd1 1
49 . ALA . c16102_2kd1 1
50 . LYS . c16102_2kd1 1
51 . LEU . c16102_2kd1 1
52 . THR . c16102_2kd1 1
53 . SER . c16102_2kd1 1
54 . LEU . c16102_2kd1 1
55 . HIS . c16102_2kd1 1
56 . MET . c16102_2kd1 1
57 . GLN . c16102_2kd1 1
58 . ASN . c16102_2kd1 1
59 . TYR . c16102_2kd1 1
60 . VAL . c16102_2kd1 1
61 . ASN . c16102_2kd1 1
62 . SER . c16102_2kd1 1
63 . LEU . c16102_2kd1 1
64 . ARG . c16102_2kd1 1
65 . ASP . c16102_2kd1 1
66 . GLU . c16102_2kd1 1
67 . GLY . c16102_2kd1 1
68 . LEU . c16102_2kd1 1
69 . LYS . c16102_2kd1 1
70 . ARG . c16102_2kd1 1
71 . GLY . c16102_2kd1 1
72 . THR . c16102_2kd1 1
73 . ILE . c16102_2kd1 1
74 . GLU . c16102_2kd1 1
75 . LYS . c16102_2kd1 1
76 . ILE . c16102_2kd1 1
77 . ILE . c16102_2kd1 1
78 . LYS . c16102_2kd1 1
79 . VAL . c16102_2kd1 1
80 . ILE . c16102_2kd1 1
81 . ARG . c16102_2kd1 1
82 . ASN . c16102_2kd1 1
83 . SER . c16102_2kd1 1
84 . LEU . c16102_2kd1 1
85 . GLU . c16102_2kd1 1
86 . HIS . c16102_2kd1 1
87 . ALA . c16102_2kd1 1
88 . ILE . c16102_2kd1 1
89 . ASP . c16102_2kd1 1
90 . LEU . c16102_2kd1 1
91 . GLU . c16102_2kd1 1
92 . LEU . c16102_2kd1 1
93 . ILE . c16102_2kd1 1
94 . THR . c16102_2kd1 1
95 . LYS . c16102_2kd1 1
96 . ASN . c16102_2kd1 1
97 . VAL . c16102_2kd1 1
98 . ALA . c16102_2kd1 1
99 . ALA . c16102_2kd1 1
100 . LYS . c16102_2kd1 1
101 . THR . c16102_2kd1 1
102 . LYS . c16102_2kd1 1
103 . LEU . c16102_2kd1 1
104 . PRO . c16102_2kd1 1
105 . LYS . c16102_2kd1 1
106 . ALA . c16102_2kd1 1
107 . ASP . c16102_2kd1 1
108 . LYS . c16102_2kd1 1
109 . GLU . c16102_2kd1 1
110 . GLU . c16102_2kd1 1
111 . LEU . c16102_2kd1 1
112 . GLU . c16102_2kd1 1
113 . HIS . c16102_2kd1 1
114 . HIS . c16102_2kd1 1
115 . HIS . c16102_2kd1 1
116 . HIS . c16102_2kd1 1
117 . HIS . c16102_2kd1 1
118 . HIS . c16102_2kd1 1
stop_
loop_
_Entity_poly_seq.Hetero
_Entity_poly_seq.Mon_ID
_Entity_poly_seq.Num
_Entity_poly_seq.Comp_index_ID
_Entity_poly_seq.Entry_ID
_Entity_poly_seq.Entity_ID
. MET 1 1 c16102_2kd1 1
. GLU 2 2 c16102_2kd1 1
. PRO 3 3 c16102_2kd1 1
. SER 4 4 c16102_2kd1 1
. LYS 5 5 c16102_2kd1 1
. LEU 6 6 c16102_2kd1 1
. SER 7 7 c16102_2kd1 1
. TYR 8 8 c16102_2kd1 1
. GLY 9 9 c16102_2kd1 1
. GLU 10 10 c16102_2kd1 1
. TYR 11 11 c16102_2kd1 1
. LEU 12 12 c16102_2kd1 1
. GLU 13 13 c16102_2kd1 1
. SER 14 14 c16102_2kd1 1
. TRP 15 15 c16102_2kd1 1
. PHE 16 16 c16102_2kd1 1
. ASN 17 17 c16102_2kd1 1
. THR 18 18 c16102_2kd1 1
. LYS 19 19 c16102_2kd1 1
. ARG 20 20 c16102_2kd1 1
. HIS 21 21 c16102_2kd1 1
. SER 22 22 c16102_2kd1 1
. VAL 23 23 c16102_2kd1 1
. GLY 24 24 c16102_2kd1 1
. ILE 25 25 c16102_2kd1 1
. GLN 26 26 c16102_2kd1 1
. THR 27 27 c16102_2kd1 1
. ALA 28 28 c16102_2kd1 1
. LYS 29 29 c16102_2kd1 1
. VAL 30 30 c16102_2kd1 1
. LEU 31 31 c16102_2kd1 1
. LYS 32 32 c16102_2kd1 1
. GLY 33 33 c16102_2kd1 1
. TYR 34 34 c16102_2kd1 1
. LEU 35 35 c16102_2kd1 1
. ASN 36 36 c16102_2kd1 1
. SER 37 37 c16102_2kd1 1
. ARG 38 38 c16102_2kd1 1
. ILE 39 39 c16102_2kd1 1
. ILE 40 40 c16102_2kd1 1
. PRO 41 41 c16102_2kd1 1
. SER 42 42 c16102_2kd1 1
. LEU 43 43 c16102_2kd1 1
. GLY 44 44 c16102_2kd1 1
. ASN 45 45 c16102_2kd1 1
. ILE 46 46 c16102_2kd1 1
. LYS 47 47 c16102_2kd1 1
. LEU 48 48 c16102_2kd1 1
. ALA 49 49 c16102_2kd1 1
. LYS 50 50 c16102_2kd1 1
. LEU 51 51 c16102_2kd1 1
. THR 52 52 c16102_2kd1 1
. SER 53 53 c16102_2kd1 1
. LEU 54 54 c16102_2kd1 1
. HIS 55 55 c16102_2kd1 1
. MET 56 56 c16102_2kd1 1
. GLN 57 57 c16102_2kd1 1
. ASN 58 58 c16102_2kd1 1
. TYR 59 59 c16102_2kd1 1
. VAL 60 60 c16102_2kd1 1
. ASN 61 61 c16102_2kd1 1
. SER 62 62 c16102_2kd1 1
. LEU 63 63 c16102_2kd1 1
. ARG 64 64 c16102_2kd1 1
. ASP 65 65 c16102_2kd1 1
. GLU 66 66 c16102_2kd1 1
. GLY 67 67 c16102_2kd1 1
. LEU 68 68 c16102_2kd1 1
. LYS 69 69 c16102_2kd1 1
. ARG 70 70 c16102_2kd1 1
. GLY 71 71 c16102_2kd1 1
. THR 72 72 c16102_2kd1 1
. ILE 73 73 c16102_2kd1 1
. GLU 74 74 c16102_2kd1 1
. LYS 75 75 c16102_2kd1 1
. ILE 76 76 c16102_2kd1 1
. ILE 77 77 c16102_2kd1 1
. LYS 78 78 c16102_2kd1 1
. VAL 79 79 c16102_2kd1 1
. ILE 80 80 c16102_2kd1 1
. ARG 81 81 c16102_2kd1 1
. ASN 82 82 c16102_2kd1 1
. SER 83 83 c16102_2kd1 1
. LEU 84 84 c16102_2kd1 1
. GLU 85 85 c16102_2kd1 1
. HIS 86 86 c16102_2kd1 1
. ALA 87 87 c16102_2kd1 1
. ILE 88 88 c16102_2kd1 1
. ASP 89 89 c16102_2kd1 1
. LEU 90 90 c16102_2kd1 1
. GLU 91 91 c16102_2kd1 1
. LEU 92 92 c16102_2kd1 1
. ILE 93 93 c16102_2kd1 1
. THR 94 94 c16102_2kd1 1
. LYS 95 95 c16102_2kd1 1
. ASN 96 96 c16102_2kd1 1
. VAL 97 97 c16102_2kd1 1
. ALA 98 98 c16102_2kd1 1
. ALA 99 99 c16102_2kd1 1
. LYS 100 100 c16102_2kd1 1
. THR 101 101 c16102_2kd1 1
. LYS 102 102 c16102_2kd1 1
. LEU 103 103 c16102_2kd1 1
. PRO 104 104 c16102_2kd1 1
. LYS 105 105 c16102_2kd1 1
. ALA 106 106 c16102_2kd1 1
. ASP 107 107 c16102_2kd1 1
. LYS 108 108 c16102_2kd1 1
. GLU 109 109 c16102_2kd1 1
. GLU 110 110 c16102_2kd1 1
. LEU 111 111 c16102_2kd1 1
. GLU 112 112 c16102_2kd1 1
. HIS 113 113 c16102_2kd1 1
. HIS 114 114 c16102_2kd1 1
. HIS 115 115 c16102_2kd1 1
. HIS 116 116 c16102_2kd1 1
. HIS 117 117 c16102_2kd1 1
. HIS 118 118 c16102_2kd1 1
stop_
save_
save_natural_source
_Entity_natural_src_list.Sf_category natural_source
_Entity_natural_src_list.Sf_framecode natural_source
_Entity_natural_src_list.Entry_ID c16102_2kd1
_Entity_natural_src_list.ID 1
loop_
_Entity_natural_src.ID
_Entity_natural_src.Entity_ID
_Entity_natural_src.Entity_label
_Entity_natural_src.Entity_chimera_segment_ID
_Entity_natural_src.NCBI_taxonomy_ID
_Entity_natural_src.Type
_Entity_natural_src.Common
_Entity_natural_src.Organism_name_scientific
_Entity_natural_src.Organism_name_common
_Entity_natural_src.Organism_acronym
_Entity_natural_src.ICTVdb_decimal_code
_Entity_natural_src.Superkingdom
_Entity_natural_src.Kingdom
_Entity_natural_src.Genus
_Entity_natural_src.Species
_Entity_natural_src.Strain
_Entity_natural_src.Variant
_Entity_natural_src.Subvariant
_Entity_natural_src.Organ
_Entity_natural_src.Tissue
_Entity_natural_src.Tissue_fraction
_Entity_natural_src.Cell_line
_Entity_natural_src.Cell_type
_Entity_natural_src.ATCC_number
_Entity_natural_src.Organelle
_Entity_natural_src.Cellular_location
_Entity_natural_src.Fragment
_Entity_natural_src.Fraction
_Entity_natural_src.Secretion
_Entity_natural_src.Plasmid
_Entity_natural_src.Plasmid_details
_Entity_natural_src.Gene_mnemonic
_Entity_natural_src.Dev_stage
_Entity_natural_src.Details
_Entity_natural_src.Citation_ID
_Entity_natural_src.Citation_label
_Entity_natural_src.Entry_ID
_Entity_natural_src.Entity_natural_src_list_ID
1 1 $entity . 1396 organism . 'Bacillus cereus' 'Bacillus cereus' . . Bacteria . Bacillus cereus 'ATCC 14579 / DSM 31' . . . . . . . . . . . . . . . . . . . . c16102_2kd1 1
stop_
save_
save_experimental_source
_Entity_experimental_src_list.Sf_category experimental_source
_Entity_experimental_src_list.Sf_framecode experimental_source
_Entity_experimental_src_list.Entry_ID c16102_2kd1
_Entity_experimental_src_list.ID 1
loop_
_Entity_experimental_src.ID
_Entity_experimental_src.Entity_ID
_Entity_experimental_src.Entity_label
_Entity_experimental_src.Entity_chimera_segment_ID
_Entity_experimental_src.Production_method
_Entity_experimental_src.Host_org_scientific_name
_Entity_experimental_src.Host_org_name_common
_Entity_experimental_src.Host_org_details
_Entity_experimental_src.Host_org_NCBI_taxonomy_ID
_Entity_experimental_src.Host_org_genus
_Entity_experimental_src.Host_org_species
_Entity_experimental_src.Host_org_strain
_Entity_experimental_src.Host_org_variant
_Entity_experimental_src.Host_org_subvariant
_Entity_experimental_src.Host_org_organ
_Entity_experimental_src.Host_org_tissue
_Entity_experimental_src.Host_org_tissue_fraction
_Entity_experimental_src.Host_org_cell_line
_Entity_experimental_src.Host_org_cell_type
_Entity_experimental_src.Host_org_cellular_location
_Entity_experimental_src.Host_org_organelle
_Entity_experimental_src.Host_org_gene
_Entity_experimental_src.Host_org_culture_collection
_Entity_experimental_src.Host_org_ATCC_number
_Entity_experimental_src.Vector_type
_Entity_experimental_src.PDBview_host_org_vector_name
_Entity_experimental_src.PDBview_plasmid_name
_Entity_experimental_src.Vector_name
_Entity_experimental_src.Vector_details
_Entity_experimental_src.Vendor_name
_Entity_experimental_src.Host_org_dev_stage
_Entity_experimental_src.Details
_Entity_experimental_src.Citation_ID
_Entity_experimental_src.Citation_label
_Entity_experimental_src.Entry_ID
_Entity_experimental_src.Entity_experimental_src_list_ID
1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21(DE3)+ Magic' . . . . . . . . . . . . . . . 'pET 21-23C' . . .
;
Growth media
MJ9 100%N15 5%C13
MJ9 100%N15 100%C13
; . . c16102_2kd1 1
stop_
save_
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID c16102_2kd1
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details BcR268F.003
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 entity '[U-100% 13C; U-100% 15N]' . . 1 $entity . . 0.986 . . mM . . . . c16102_2kd1 1
2 DSS 'natural abundance' . . . . . . 50 . . uM . . . . c16102_2kd1 1
3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . c16102_2kd1 1
4 MES 'natural abundance' . . . . . . 20 . . mM . . . . c16102_2kd1 1
5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . c16102_2kd1 1
6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . c16102_2kd1 1
7 'Calcium Chloride' 'natural abundance' . . . . . . 5 . . mM . . . . c16102_2kd1 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID c16102_2kd1
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details
;
BcR268F.005
This sample was added to PolyAcrylAmide Gel for RDC collection
;
_Sample.Aggregate_sample_number .
_Sample.Solvent_system '90% H2O/10% D2O'
_Sample.Preparation_date .
_Sample.Preparation_expiration_date .
_Sample.Polycrystallization_protocol .
_Sample.Single_crystal_protocol .
_Sample.Crystal_grow_apparatus .
_Sample.Crystal_grow_atmosphere .
_Sample.Crystal_grow_details .
_Sample.Crystal_grow_method .
_Sample.Crystal_grow_method_cit_ID .
_Sample.Crystal_grow_pH .
_Sample.Crystal_grow_pH_range .
_Sample.Crystal_grow_pressure .
_Sample.Crystal_grow_pressure_esd .
_Sample.Crystal_grow_seeding .
_Sample.Crystal_grow_seeding_cit_ID .
_Sample.Crystal_grow_temp .
_Sample.Crystal_grow_temp_details .
_Sample.Crystal_grow_temp_esd .
_Sample.Crystal_grow_time .
_Sample.Oriented_sample_prep_protocol .
_Sample.Lyophilization_cryo_protectant .
_Sample.Storage_protocol .
loop_
_Sample_component.ID
_Sample_component.Mol_common_name
_Sample_component.Isotopic_labeling
_Sample_component.Assembly_ID
_Sample_component.Assembly_label
_Sample_component.Entity_ID
_Sample_component.Entity_label
_Sample_component.Product_ID
_Sample_component.Type
_Sample_component.Concentration_val
_Sample_component.Concentration_val_min
_Sample_component.Concentration_val_max
_Sample_component.Concentration_val_units
_Sample_component.Concentration_val_err
_Sample_component.Vendor
_Sample_component.Vendor_product_name
_Sample_component.Vendor_product_code
_Sample_component.Entry_ID
_Sample_component.Sample_ID
1 entity '[5% 13C; U-100% 15N]' . . 1 $entity . . 0.953 . . mM . . . . c16102_2kd1 2
2 DSS 'natural abundance' . . . . . . 50 . . uM . . . . c16102_2kd1 2
3 'sodium chloride' 'natural abundance' . . . . . . 200 . . mM . . . . c16102_2kd1 2
4 MES 'natural abundance' . . . . . . 20 . . mM . . . . c16102_2kd1 2
5 DTT 'natural abundance' . . . . . . 10 . . mM . . . . c16102_2kd1 2
6 NaN3 'natural abundance' . . . . . . 0.02 . . % . . . . c16102_2kd1 2
7 'Calcium Chloride' 'natural abundance' . . . . . . 5 . . mM . . . . c16102_2kd1 2
stop_
save_
save_sample_conditions_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode sample_conditions_1
_Sample_condition_list.Entry_ID c16102_2kd1
_Sample_condition_list.ID 1
_Sample_condition_list.Details .
loop_
_Sample_condition_variable.Type
_Sample_condition_variable.Val
_Sample_condition_variable.Val_err
_Sample_condition_variable.Val_units
_Sample_condition_variable.Entry_ID
_Sample_condition_variable.Sample_condition_list_ID
temperature 298 . K c16102_2kd1 1
pH 6.5 . pH c16102_2kd1 1
pressure 1.0 . atm c16102_2kd1 1
'ionic strength' 0.2 . M c16102_2kd1 1
stop_
save_
save_TOPSPIN
_Software.Sf_category software
_Software.Sf_framecode TOPSPIN
_Software.Entry_ID c16102_2kd1
_Software.ID 1
_Software.Name TOPSPIN
_Software.Version 2.1
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bruker Biospin' . . c16102_2kd1 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection c16102_2kd1 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID c16102_2kd1
_Software.ID 2
_Software.Name NMRPipe
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . c16102_2kd1 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing c16102_2kd1 2
stop_
save_
save_SPARKY
_Software.Sf_category software
_Software.Sf_framecode SPARKY
_Software.Entry_ID c16102_2kd1
_Software.ID 3
_Software.Name SPARKY
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Goddard . . c16102_2kd1 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' c16102_2kd1 3
stop_
save_
save_PINE
_Software.Sf_category software
_Software.Sf_framecode PINE
_Software.Entry_ID c16102_2kd1
_Software.ID 4
_Software.Name PINE
_Software.Version .
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Bahrami, Markley, Assadi, and Eghbalnia' . . c16102_2kd1 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'chemical shift assignment' c16102_2kd1 4
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID c16102_2kd1
_Software.ID 5
_Software.Name CYANA
_Software.Version '3.0 beta'
_Software.Details .
loop_
_Vendor.Name