data_5059
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 5059
_Entry.Title
;
Chemical shift assignments for EC005 from E. coli
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2001-06-15
_Entry.Accession_date 2001-06-18
_Entry.Last_release_date 2002-08-22
_Entry.Original_release_date 2002-08-22
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 2.1
_Entry.Experimental_method NMR
_Entry.Experimental_method_subtype .
_Entry.Details 'Residues 1-20 are from the His-Tag. EC005 actually comprises resiudes 20-97 in this deposition.'
_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 Adelinda Yee . . . 5059
2 X. Chang . . . 5059
3 A. Pineda_Lucena . . . 5059
4 B. Wu . . . 5059
5 A. Semesi . . . 5059
6 B. Le . . . 5059
7 T. Ramelot . . . 5059
8 G. Lee . M. . 5059
9 S. Bhattacharyya . . . 5059
10 P. Gutierrez . . . 5059
11 A. Denisov . . . 5059
12 C. Lee . H. . 5059
13 J. Cort . R. . 5059
14 G. Kozlov . . . 5059
15 J. Liao . . . 5059
16 G. Finak . . . 5059
17 L. Chen . . . 5059
18 D. Wishart . . . 5059
19 W. Lee . . . 5059
20 L. McIntosh . P. . 5059
21 Kalle Gehring . . . 5059
22 M. Kennedy . A. . 5059
23 A. Edwards . M. . 5059
24 Cheryl Arrowsmith . H. . 5059
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 5059
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'1H chemical shifts' 350 5059
'13C chemical shifts' 126 5059
'15N chemical shifts' 59 5059
stop_
loop_
_Release.Release_number
_Release.Format_type
_Release.Format_version
_Release.Date
_Release.Submission_date
_Release.Type
_Release.Author
_Release.Detail
_Release.Entry_ID
1 . . 2002-08-22 2001-06-15 original author . 5059
stop_
save_
###############
# Citations #
###############
save_entry_citation
_Citation.Sf_category citations
_Citation.Sf_framecode entry_citation
_Citation.Entry_ID 5059
_Citation.ID 1
_Citation.Class 'entry citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code 21843898
_Citation.DOI .
_Citation.PubMed_ID 11854485
_Citation.Full_citation .
_Citation.Title 'An NMR Approach to Stuctural Proteomics'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.'
_Citation.Journal_name_full .
_Citation.Journal_volume 99
_Citation.Journal_issue 4
_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 1825
_Citation.Page_last 1830
_Citation.Year 2002
_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 Adelinda Yee . . . 5059 1
2 X. Chang . . . 5059 1
3 A. Pineda_Lucena . . . 5059 1
4 B. Wu . . . 5059 1
5 A. Semesi . . . 5059 1
6 B. Le . . . 5059 1
7 T. Ramelot . . . 5059 1
8 G. Lee . M. . 5059 1
9 S. Bhattacharyya . . . 5059 1
10 P. Gutierrez . . . 5059 1
11 A. Denisov . . . 5059 1
12 C. Lee . H. . 5059 1
13 J. Cort . R. . 5059 1
14 G. Kozlov . . . 5059 1
15 J. Liao . . . 5059 1
16 G. Finak . . . 5059 1
17 L. Chen . . . 5059 1
18 D. Wishart . . . 5059 1
19 W. Lee . . . 5059 1
20 L. McIntosh . P. . 5059 1
21 Kalle Gehring . . . 5059 1
22 M. Kennedy . A. . 5059 1
23 A. Edwards . M. . 5059 1
24 Cheryl Arrowsmith . H. . 5059 1
stop_
loop_
_Citation_keyword.Keyword
_Citation_keyword.Entry_ID
_Citation_keyword.Citation_ID
'Structural genomics' 5059 1
stop_
save_
save_ref_1
_Citation.Sf_category citations
_Citation.Sf_framecode ref_1
_Citation.Entry_ID 5059
_Citation.ID 2
_Citation.Class 'reference citation'
_Citation.CAS_abstract_code .
_Citation.MEDLINE_UI_code .
_Citation.DOI .
_Citation.PubMed_ID 9097040
_Citation.Full_citation
;
Itoh T, Aiba H, Baba T, Hayashi K, Inada T, Isono K, Kasai H,
Kimura S, Kitakawa M, Kitagawa M, Makino K, Miki T,
Mizobuchi K, Mori H, Mori T, Motomura K, Nakade S,
Nakamura Y, Nashimoto H, Nishio Y, Oshima T, Saito N,
Sampei G, Seki Y, Horiuchi T, et al.
A 460-kb DNA sequence of the Escherichia coli K-12 genome corresponding to the
40.1-50.0 min region on the linkage map.
DNA Res. 1996 Dec 31;3(6):379-92.
;
_Citation.Title 'A 460-kb DNA sequence of the Escherichia coli K-12 genome corresponding to the 40.1-50.0 min region on the linkage map.'
_Citation.Status published
_Citation.Type journal
_Citation.Journal_abbrev 'DNA Res.'
_Citation.Journal_name_full 'DNA research : an international journal for rapid publication of reports on genes and genomes'
_Citation.Journal_volume 3
_Citation.Journal_issue 6
_Citation.Journal_ASTM .
_Citation.Journal_ISSN 1340-2838
_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 379
_Citation.Page_last 392
_Citation.Year 1996
_Citation.Details
;
The 465,813 base pair sequence corresponding to the 40.1-50.0 min region on the
genetic map of Escherichia coli K-12 (W3110) was determined. Analysis of the
sequence revealed that this region contained at least 466 potential open
reading frames, of which 187 (40%) were previously reported, 105 (23%) were
homologous to other known genes, 103 (22%) were identical or similar to
hypothetical genes registered in databases, and the remaining 71 (15%) did not
show a significant similarity to any other gene. At the 45.2-46.0 min region,
we found a very large cluster of about 30 genes, whose functions are involved
in the biosynthesis of polysaccharides as the components of outer membranes. In
addition, we identified a new asn-tRNA gene, designated asnW, between the asnT
and asnU genes and a new lysogenic phage attachment site as the cis-element.
;
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 T. Itoh T. . . 5059 2
2 H. Aiba H. . . 5059 2
3 T. Baba T. . . 5059 2
4 K. Hayashi K. . . 5059 2
5 T. Inada T. . . 5059 2
6 K. Isono K. . . 5059 2
7 H. Kasai H. . . 5059 2
8 S. Kimura S. . . 5059 2
9 M. Kitakawa M. . . 5059 2
10 M. Kitagawa M. . . 5059 2
11 K. Makino K. . . 5059 2
12 T. Miki T. . . 5059 2
13 K. Mizobuchi K. . . 5059 2
14 H. Mori H. . . 5059 2
15 T. Mori T. . . 5059 2
16 K. Motomura K. . . 5059 2
17 S. Nakade S. . . 5059 2
18 Y. Nakamura Y. . . 5059 2
19 H. Nashimoto H. . . 5059 2
20 Y. Nishio Y. . . 5059 2
21 T. Oshima T. . . 5059 2
22 N. Saito N. . . 5059 2
23 G. Sampei G. . . 5059 2
24 Y. Seki Y. . . 5059 2
25 T. Horiuchi T. . . 5059 2
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_system_EC005
_Assembly.Sf_category assembly
_Assembly.Sf_framecode system_EC005
_Assembly.Entry_ID 5059
_Assembly.ID 1
_Assembly.Name EC005
_Assembly.BMRB_code .
_Assembly.Number_of_components .
_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 'all free'
_Assembly.Molecular_mass .
_Assembly.Enzyme_commission_number .
_Assembly.Details .
_Assembly.DB_query_date .
_Assembly.DB_query_revised_last_date .
loop_
_Assembly_type.Type
_Assembly_type.Entry_ID
_Assembly_type.Assembly_ID
monomer 5059 1
stop_
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 EC005 1 $EC005 . . . native . . . . . 5059 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
. PDB 1JE3 . . . . . . 5059 1
stop_
loop_
_Assembly_common_name.Name
_Assembly_common_name.Type
_Assembly_common_name.Entry_ID
_Assembly_common_name.Assembly_ID
EC005 system 5059 1
EC005 abbreviation 5059 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_EC005
_Entity.Sf_category entity
_Entity.Sf_framecode EC005
_Entity.Entry_ID 5059
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name EC005
_Entity.Type polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type polypeptide(L)
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code
;
MGSSHHHHHHSSGLVPRGSH
MKNIVPDYRLDMVGEPCPYP
AVATLEAMPQLKKGEILEVV
SDCPQSINNIPLDARNHGYT
VLDIQQDGPTIRYLIQK
;
_Entity.Target_identifier .
_Entity.Polymer_author_defined_seq .
_Entity.Polymer_author_seq_details .
_Entity.Ambiguous_conformational_states .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_Entity.Nonpolymer_comp_ID .
_Entity.Nonpolymer_comp_label .
_Entity.Number_of_monomers 97
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state 'all free'
_Entity.Src_method .
_Entity.Parent_entity_ID 1
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight 10802.3
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-01-28
loop_
_Entity_db_link.Ordinal
_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_ID
_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
1 no PDB 1JE3 . "Solution Structure Of Ec005 From Escherichia Coli" . . . . . 100.00 97 100.00 100.00 3.81e-64 . . . . 5059 1
2 no DBJ BAA15758 . "conserved hypothetical protein [Escherichia coli str. K-12 substr. W3110]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
3 no DBJ BAB36092 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
4 no DBJ BAG77685 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
5 no DBJ BAI26061 . "conserved predicted protein [Escherichia coli O26:H11 str. 11368]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
6 no DBJ BAI30978 . "conserved predicted protein [Escherichia coli O103:H2 str. 12009]" . . . . . 79.38 77 98.70 100.00 2.24e-48 . . . . 5059 1
7 no EMBL CAD05714 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
8 no EMBL CAP76412 . "UPF0033 protein yedF [Escherichia coli LF82]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
9 no EMBL CAQ88691 . "conserved hypothetical protein [Escherichia fergusonii ATCC 35469]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
10 no EMBL CAQ98867 . "conserved hypothetical protein [Escherichia coli IAI1]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
11 no EMBL CAR03284 . "conserved hypothetical protein [Escherichia coli S88]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
12 no GB AAA71973 . "level of amino acid identity between E. coli and S.typhimurium proteins strongly indicates authentic gene [Salmonella enterica " . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
13 no GB AAA82578 . "Orf9 [Escherichia coli]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
14 no GB AAC74997 . "putative TusA family sulfurtransferase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
15 no GB AAG56945 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
16 no GB AAL20878 . "putative transcriptional regulator [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
17 no PIR AG0751 . "conserved hypothetical protein STY2174 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
18 no REF NP_288391 . "hypothetical protein Z3020 [Escherichia coli O157:H7 str. EDL933]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
19 no REF NP_310696 . "hypothetical protein ECs2669 [Escherichia coli O157:H7 str. Sakai]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
20 no REF NP_416440 . "putative TusA family sulfurtransferase [Escherichia coli str. K-12 substr. MG1655]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
21 no REF NP_456527 . "hypothetical protein STY2174 [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
22 no REF NP_460919 . "hypothetical protein STM1966 [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
23 no SP P0AA31 . "RecName: Full=UPF0033 protein YedF [Escherichia coli K-12]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
24 no SP P0AA32 . "RecName: Full=UPF0033 protein YedF [Escherichia coli CFT073]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
25 no SP P0AA33 . "RecName: Full=UPF0033 protein YedF [Escherichia coli O157:H7]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
26 no SP P0AA34 . "RecName: Full=UPF0033 protein YedF [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
27 no SP P0AA35 . "RecName: Full=UPF0033 protein YedF [Salmonella enterica subsp. enterica serovar Typhi]" . . . . . 79.38 77 100.00 100.00 1.33e-48 . . . . 5059 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
EC005 common 5059 1
EC005 abbreviation 5059 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 . 5059 1
2 . GLY . 5059 1
3 . SER . 5059 1
4 . SER . 5059 1
5 . HIS . 5059 1
6 . HIS . 5059 1
7 . HIS . 5059 1
8 . HIS . 5059 1
9 . HIS . 5059 1
10 . HIS . 5059 1
11 . SER . 5059 1
12 . SER . 5059 1
13 . GLY . 5059 1
14 . LEU . 5059 1
15 . VAL . 5059 1
16 . PRO . 5059 1
17 . ARG . 5059 1
18 . GLY . 5059 1
19 . SER . 5059 1
20 . HIS . 5059 1
21 . MET . 5059 1
22 . LYS . 5059 1
23 . ASN . 5059 1
24 . ILE . 5059 1
25 . VAL . 5059 1
26 . PRO . 5059 1
27 . ASP . 5059 1
28 . TYR . 5059 1
29 . ARG . 5059 1
30 . LEU . 5059 1
31 . ASP . 5059 1
32 . MET . 5059 1
33 . VAL . 5059 1
34 . GLY . 5059 1
35 . GLU . 5059 1
36 . PRO . 5059 1
37 . CYS . 5059 1
38 . PRO . 5059 1
39 . TYR . 5059 1
40 . PRO . 5059 1
41 . ALA . 5059 1
42 . VAL . 5059 1
43 . ALA . 5059 1
44 . THR . 5059 1
45 . LEU . 5059 1
46 . GLU . 5059 1
47 . ALA . 5059 1
48 . MET . 5059 1
49 . PRO . 5059 1
50 . GLN . 5059 1
51 . LEU . 5059 1
52 . LYS . 5059 1
53 . LYS . 5059 1
54 . GLY . 5059 1
55 . GLU . 5059 1
56 . ILE . 5059 1
57 . LEU . 5059 1
58 . GLU . 5059 1
59 . VAL . 5059 1
60 . VAL . 5059 1
61 . SER . 5059 1
62 . ASP . 5059 1
63 . CYS . 5059 1
64 . PRO . 5059 1
65 . GLN . 5059 1
66 . SER . 5059 1
67 . ILE . 5059 1
68 . ASN . 5059 1
69 . ASN . 5059 1
70 . ILE . 5059 1
71 . PRO . 5059 1
72 . LEU . 5059 1
73 . ASP . 5059 1
74 . ALA . 5059 1
75 . ARG . 5059 1
76 . ASN . 5059 1
77 . HIS . 5059 1
78 . GLY . 5059 1
79 . TYR . 5059 1
80 . THR . 5059 1
81 . VAL . 5059 1
82 . LEU . 5059 1
83 . ASP . 5059 1
84 . ILE . 5059 1
85 . GLN . 5059 1
86 . GLN . 5059 1
87 . ASP . 5059 1
88 . GLY . 5059 1
89 . PRO . 5059 1
90 . THR . 5059 1
91 . ILE . 5059 1
92 . ARG . 5059 1
93 . TYR . 5059 1
94 . LEU . 5059 1
95 . ILE . 5059 1
96 . GLN . 5059 1
97 . LYS . 5059 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 5059 1
. GLY 2 2 5059 1
. SER 3 3 5059 1
. SER 4 4 5059 1
. HIS 5 5 5059 1
. HIS 6 6 5059 1
. HIS 7 7 5059 1
. HIS 8 8 5059 1
. HIS 9 9 5059 1
. HIS 10 10 5059 1
. SER 11 11 5059 1
. SER 12 12 5059 1
. GLY 13 13 5059 1
. LEU 14 14 5059 1
. VAL 15 15 5059 1
. PRO 16 16 5059 1
. ARG 17 17 5059 1
. GLY 18 18 5059 1
. SER 19 19 5059 1
. HIS 20 20 5059 1
. MET 21 21 5059 1
. LYS 22 22 5059 1
. ASN 23 23 5059 1
. ILE 24 24 5059 1
. VAL 25 25 5059 1
. PRO 26 26 5059 1
. ASP 27 27 5059 1
. TYR 28 28 5059 1
. ARG 29 29 5059 1
. LEU 30 30 5059 1
. ASP 31 31 5059 1
. MET 32 32 5059 1
. VAL 33 33 5059 1
. GLY 34 34 5059 1
. GLU 35 35 5059 1
. PRO 36 36 5059 1
. CYS 37 37 5059 1
. PRO 38 38 5059 1
. TYR 39 39 5059 1
. PRO 40 40 5059 1
. ALA 41 41 5059 1
. VAL 42 42 5059 1
. ALA 43 43 5059 1
. THR 44 44 5059 1
. LEU 45 45 5059 1
. GLU 46 46 5059 1
. ALA 47 47 5059 1
. MET 48 48 5059 1
. PRO 49 49 5059 1
. GLN 50 50 5059 1
. LEU 51 51 5059 1
. LYS 52 52 5059 1
. LYS 53 53 5059 1
. GLY 54 54 5059 1
. GLU 55 55 5059 1
. ILE 56 56 5059 1
. LEU 57 57 5059 1
. GLU 58 58 5059 1
. VAL 59 59 5059 1
. VAL 60 60 5059 1
. SER 61 61 5059 1
. ASP 62 62 5059 1
. CYS 63 63 5059 1
. PRO 64 64 5059 1
. GLN 65 65 5059 1
. SER 66 66 5059 1
. ILE 67 67 5059 1
. ASN 68 68 5059 1
. ASN 69 69 5059 1
. ILE 70 70 5059 1
. PRO 71 71 5059 1
. LEU 72 72 5059 1
. ASP 73 73 5059 1
. ALA 74 74 5059 1
. ARG 75 75 5059 1
. ASN 76 76 5059 1
. HIS 77 77 5059 1
. GLY 78 78 5059 1
. TYR 79 79 5059 1
. THR 80 80 5059 1
. VAL 81 81 5059 1
. LEU 82 82 5059 1
. ASP 83 83 5059 1
. ILE 84 84 5059 1
. GLN 85 85 5059 1
. GLN 86 86 5059 1
. ASP 87 87 5059 1
. GLY 88 88 5059 1
. PRO 89 89 5059 1
. THR 90 90 5059 1
. ILE 91 91 5059 1
. ARG 92 92 5059 1
. TYR 93 93 5059 1
. LEU 94 94 5059 1
. ILE 95 95 5059 1
. GLN 96 96 5059 1
. LYS 97 97 5059 1
stop_
save_
####################
# Natural source #
####################
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 5059
_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 $EC005 . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Eubacteria . Escherichia coli K-12 . . . . . . . . . . . . . . . YEDF . . . . 5059 1
stop_
save_
#########################
# Experimental source #
#########################
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 5059
_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 $EC005 . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5059 1
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 5059
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_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 EC005 [U-15N] . . 1 $EC005 . . 2.0 1.0 2.0 mM . . . . 5059 1
2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5059 1
3 NaCl . . . . . . . 0.15 . . M . . . . 5059 1
4 DTT . . . . . . . 1 . . mM . . . . 5059 1
5 NaN3 . . . . . . . 1 . . mM . . . . 5059 1
stop_
save_
save_sample_2
_Sample.Sf_category sample
_Sample.Sf_framecode sample_2
_Sample.Entry_ID 5059
_Sample.ID 2
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_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 EC005 '[U-15N; U-13C]' . . 1 $EC005 . . 2.0 1.0 2.0 mM . . . . 5059 2
2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5059 2
3 NaCl . . . . . . . 0.15 . . M . . . . 5059 2
4 DTT . . . . . . . 1 . . mM . . . . 5059 2
5 NaN3 . . . . . . . 1 . . mM . . . . 5059 2
stop_
save_
save_sample_3
_Sample.Sf_category sample
_Sample.Sf_framecode sample_3
_Sample.Entry_ID 5059
_Sample.ID 3
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_Sample.Aggregate_sample_number .
_Sample.Solvent_system .
_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 EC005 . . . 1 $EC005 . . 2.0 1.0 2.0 mM . . . . 5059 3
2 'phosphate buffer' . . . . . . . 50 . . mM . . . . 5059 3
3 NaCl . . . . . . . 0.15 . . M . . . . 5059 3
4 DTT . . . . . . . 1 . . mM . . . . 5059 3
5 NaN3 . . . . . . . 1 . . mM . . . . 5059 3
stop_
save_
#######################
# Sample conditions #
#######################
save_Ex-cond_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode Ex-cond_1
_Sample_condition_list.Entry_ID 5059
_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
pH 7.5 0.1 n/a 5059 1
temperature 310 1 K 5059 1
'ionic strength' 0.3 . M 5059 1
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Software.Sf_category software
_Software.Sf_framecode XWINNMR
_Software.Entry_ID 5059
_Software.ID 1
_Software.Name XWINNMR
_Software.Version 2.1
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'collection of data' 5059 1
stop_
save_
save_GIFA
_Software.Sf_category software
_Software.Sf_framecode GIFA
_Software.Entry_ID 5059
_Software.ID 2
_Software.Name GIFA
_Software.Version 4.31
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data processing' 5059 2
stop_
save_
save_XEASY
_Software.Sf_category software
_Software.Sf_framecode XEASY
_Software.Entry_ID 5059
_Software.ID 3
_Software.Name XEASY
_Software.Version 1.3.13
_Software.Details .
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 5059 3
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_NMR_spectrometer
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode NMR_spectrometer
_NMR_spectrometer.Entry_ID 5059
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model DRX
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 500
save_
save_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode spectrometer_list
_NMR_spectrometer_list.Entry_ID 5059
_NMR_spectrometer_list.ID 1
loop_
_NMR_spectrometer_view.ID
_NMR_spectrometer_view.Name
_NMR_spectrometer_view.Manufacturer
_NMR_spectrometer_view.Model
_NMR_spectrometer_view.Serial_number
_NMR_spectrometer_view.Field_strength
_NMR_spectrometer_view.Details
_NMR_spectrometer_view.Citation_ID
_NMR_spectrometer_view.Citation_label
_NMR_spectrometer_view.Entry_ID
_NMR_spectrometer_view.NMR_spectrometer_list_ID
1 NMR_spectrometer Bruker DRX . 500 . . . 5059 1
stop_
save_
#############################
# NMR applied experiments #
#############################
save_experiment_list
_Experiment_list.Sf_category experiment_list
_Experiment_list.Sf_framecode experiment_list
_Experiment_list.Entry_ID 5059
_Experiment_list.ID 1
_Experiment_list.Details .
loop_
_Experiment.ID
_Experiment.Name
_Experiment.Raw_data_flag
_Experiment.NMR_spec_expt_ID
_Experiment.NMR_spec_expt_label
_Experiment.MS_expt_ID
_Experiment.MS_expt_label
_Experiment.SAXS_expt_ID
_Experiment.SAXS_expt_label
_Experiment.FRET_expt_ID
_Experiment.FRET_expt_label
_Experiment.EMR_expt_ID
_Experiment.EMR_expt_label
_Experiment.Sample_ID
_Experiment.Sample_label
_Experiment.Sample_state
_Experiment.Sample_volume
_Experiment.Sample_volume_units
_Experiment.Sample_condition_list_ID
_Experiment.Sample_condition_list_label
_Experiment.Sample_spinning_rate
_Experiment.Sample_angle
_Experiment.NMR_tube_type
_Experiment.NMR_spectrometer_ID
_Experiment.NMR_spectrometer_label
_Experiment.NMR_spectrometer_probe_ID
_Experiment.NMR_spectrometer_probe_label
_Experiment.NMR_spectral_processing_ID
_Experiment.NMR_spectral_processing_label
_Experiment.Mass_spectrometer_ID
_Experiment.Mass_spectrometer_label
_Experiment.Xray_instrument_ID
_Experiment.Xray_instrument_label
_Experiment.Fluorescence_instrument_ID
_Experiment.Fluorescence_instrument_label
_Experiment.EMR_instrument_ID
_Experiment.EMR_instrument_label
_Experiment.Chromatographic_system_ID
_Experiment.Chromatographic_system_label
_Experiment.Chromatographic_column_ID
_Experiment.Chromatographic_column_label
_Experiment.Entry_ID
_Experiment.Experiment_list_ID
1 '1H-15N TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5059 1
2 '1H-15N NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5059 1
3 '1H-13C TOCSY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5059 1
4 '1H-13C NOESY' . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5059 1
5 HNCACB . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5059 1
6 CBCA(CO)NH . . . . . . . . . . . . . . . . 1 $Ex-cond_1 . . . 1 $NMR_spectrometer . . . . . . . . . . . . . . . . 5059 1
stop_
save_
save_NMR_spec_expt__0_1
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1
_NMR_spec_expt.Entry_ID 5059
_NMR_spec_expt.ID 1
_NMR_spec_expt.Name '1H-15N TOCSY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_2
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2
_NMR_spec_expt.Entry_ID 5059
_NMR_spec_expt.ID 2
_NMR_spec_expt.Name '1H-15N NOESY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_3
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3
_NMR_spec_expt.Entry_ID 5059
_NMR_spec_expt.ID 3
_NMR_spec_expt.Name '1H-13C TOCSY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_4
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4
_NMR_spec_expt.Entry_ID 5059
_NMR_spec_expt.ID 4
_NMR_spec_expt.Name '1H-13C NOESY'
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_5
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5
_NMR_spec_expt.Entry_ID 5059
_NMR_spec_expt.ID 5
_NMR_spec_expt.Name HNCACB
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
save_NMR_spec_expt__0_6
_NMR_spec_expt.Sf_category NMR_spectrometer_expt
_NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6
_NMR_spec_expt.Entry_ID 5059
_NMR_spec_expt.ID 6
_NMR_spec_expt.Name CBCA(CO)NH
_NMR_spec_expt.Type .
_NMR_spec_expt.Sample_volume .
_NMR_spec_expt.Sample_volume_units .
_NMR_spec_expt.NMR_tube_type .
_NMR_spec_expt.Sample_spinning_rate .
_NMR_spec_expt.Sample_angle .
_NMR_spec_expt.NMR_spectrometer_ID 1
_NMR_spec_expt.NMR_spectrometer_label $NMR_spectrometer
_NMR_spec_expt.NMR_spectrometer_probe_ID .
_NMR_spec_expt.NMR_spectrometer_probe_label .
_NMR_spec_expt.Carrier_freq_switch_time .
_NMR_spec_expt.Software_ID .
_NMR_spec_expt.Software_label .
_NMR_spec_expt.Method_ID .
_NMR_spec_expt.Method_label .
_NMR_spec_expt.Pulse_seq_accession_BMRB_code .
_NMR_spec_expt.Details .
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_chemical_shift_reference
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode chemical_shift_reference
_Chem_shift_reference.Entry_ID 5059
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details .
loop_
_Chem_shift_ref.Atom_type
_Chem_shift_ref.Atom_isotope_number
_Chem_shift_ref.Mol_common_name
_Chem_shift_ref.Atom_group
_Chem_shift_ref.Concentration_val
_Chem_shift_ref.Concentration_units
_Chem_shift_ref.Solvent
_Chem_shift_ref.Rank
_Chem_shift_ref.Chem_shift_units
_Chem_shift_ref.Chem_shift_val
_Chem_shift_ref.Ref_method
_Chem_shift_ref.Ref_type
_Chem_shift_ref.Indirect_shift_ratio
_Chem_shift_ref.External_ref_loc
_Chem_shift_ref.External_ref_sample_geometry
_Chem_shift_ref.External_ref_axis
_Chem_shift_ref.Indirect_shift_ratio_cit_ID
_Chem_shift_ref.Indirect_shift_ratio_cit_label
_Chem_shift_ref.Ref_correction_type
_Chem_shift_ref.Correction_val
_Chem_shift_ref.Correction_val_cit_ID
_Chem_shift_ref.Correction_val_cit_label
_Chem_shift_ref.Entry_ID
_Chem_shift_ref.Chem_shift_reference_ID
H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5059 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5059 1
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5059 1
stop_
save_
###################################
# Assigned chemical shift lists #
###################################
###################################################################
# Chemical Shift Ambiguity Index Value Definitions #
# #
# The values other than 1 are used for those atoms with different #
# chemical shifts that cannot be assigned to stereospecific atoms #
# or to specific residues or chains. #
# #
# Index Value Definition #
# #
# 1 Unique (including isolated methyl protons, #
# geminal atoms, and geminal methyl #
# groups with identical chemical shifts) #
# (e.g. ILE HD11, HD12, HD13 protons) #
# 2 Ambiguity of geminal atoms or geminal methyl #
# proton groups (e.g. ASP HB2 and HB3 #
# protons, LEU CD1 and CD2 carbons, or #
# LEU HD11, HD12, HD13 and HD21, HD22, #
# HD23 methyl protons) #
# 3 Aromatic atoms on opposite sides of #
# symmetrical rings (e.g. TYR HE1 and HE2 #
# protons) #
# 4 Intraresidue ambiguities (e.g. LYS HG and #
# HD protons or TRP HZ2 and HZ3 protons) #
# 5 Interresidue ambiguities (LYS 12 vs. LYS 27) #
# 6 Intermolecular ambiguities (e.g. ASP 31 CA #
# in monomer 1 and ASP 31 CA in monomer 2 #
# of an asymmetrical homodimer, duplex #
# DNA assignments, or other assignments #
# that may apply to atoms in one or more #
# molecule in the molecular assembly) #
# 9 Ambiguous, specific ambiguity not defined #
# #
###################################################################
save_shifts_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shifts_set_1
_Assigned_chem_shift_list.Entry_ID 5059
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details
;
The His-tag was not cut off for the NMR study, even though the chemical
shifts were not reported here.
;
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_1 . 5059 1
. . 2 $sample_2 . 5059 1
. . 3 $sample_3 . 5059 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 25 25 VAL N N 15 128.9 0.25 . 1 . . . . . . . . 5059 1
2 . 1 1 25 25 VAL H H 1 8.68 0.01 . 1 . . . . . . . . 5059 1
3 . 1 1 25 25 VAL HA H 1 4.73 0.01 . 1 . . . . . . . . 5059 1
4 . 1 1 25 25 VAL HB H 1 2.26 0.01 . 1 . . . . . . . . 5059 1
5 . 1 1 25 25 VAL HG11 H 1 1.04 0.01 . 2 . . . . . . . . 5059 1
6 . 1 1 25 25 VAL HG12 H 1 1.04 0.01 . 2 . . . . . . . . 5059 1
7 . 1 1 25 25 VAL HG13 H 1 1.04 0.01 . 2 . . . . . . . . 5059 1
8 . 1 1 25 25 VAL HG21 H 1 1.20 0.01 . 2 . . . . . . . . 5059 1
9 . 1 1 25 25 VAL HG22 H 1 1.20 0.01 . 2 . . . . . . . . 5059 1
10 . 1 1 25 25 VAL HG23 H 1 1.20 0.01 . 2 . . . . . . . . 5059 1
11 . 1 1 26 26 PRO CB C 13 32.6 0.20 . 1 . . . . . . . . 5059 1
12 . 1 1 26 26 PRO HB2 H 1 2.36 0.01 . 2 . . . . . . . . 5059 1
13 . 1 1 27 27 ASP N N 15 120.7 0.25 . 1 . . . . . . . . 5059 1
14 . 1 1 27 27 ASP H H 1 9.22 0.01 . 1 . . . . . . . . 5059 1
15 . 1 1 27 27 ASP CA C 13 56.7 0.20 . 1 . . . . . . . . 5059 1
16 . 1 1 27 27 ASP HA H 1 4.76 0.01 . 1 . . . . . . . . 5059 1
17 . 1 1 27 27 ASP CB C 13 43.6 0.20 . 1 . . . . . . . . 5059 1
18 . 1 1 27 27 ASP HB2 H 1 3.00 0.01 . 2 . . . . . . . . 5059 1
19 . 1 1 27 27 ASP HB3 H 1 2.70 0.01 . 2 . . . . . . . . 5059 1
20 . 1 1 28 28 TYR N N 15 115.6 0.25 . 1 . . . . . . . . 5059 1
21 . 1 1 28 28 TYR H H 1 8.34 0.01 . 1 . . . . . . . . 5059 1
22 . 1 1 28 28 TYR CA C 13 56.4 0.20 . 1 . . . . . . . . 5059 1
23 . 1 1 28 28 TYR HA H 1 5.26 0.01 . 1 . . . . . . . . 5059 1
24 . 1 1 28 28 TYR CB C 13 43.7 0.20 . 1 . . . . . . . . 5059 1
25 . 1 1 28 28 TYR HB2 H 1 3.29 0.01 . 2 . . . . . . . . 5059 1
26 . 1 1 28 28 TYR HB3 H 1 3.00 0.01 . 2 . . . . . . . . 5059 1
27 . 1 1 28 28 TYR HD2 H 1 7.20 0.01 . 3 . . . . . . . . 5059 1
28 . 1 1 29 29 ARG N N 15 122.2 0.25 . 1 . . . . . . . . 5059 1
29 . 1 1 29 29 ARG H H 1 9.11 0.01 . 1 . . . . . . . . 5059 1
30 . 1 1 29 29 ARG CA C 13 54.8 0.20 . 1 . . . . . . . . 5059 1
31 . 1 1 29 29 ARG HA H 1 5.79 0.01 . 1 . . . . . . . . 5059 1
32 . 1 1 29 29 ARG CB C 13 33.6 0.20 . 1 . . . . . . . . 5059 1
33 . 1 1 29 29 ARG HB2 H 1 2.10 0.01 . 2 . . . . . . . . 5059 1
34 . 1 1 29 29 ARG HB3 H 1 1.96 0.01 . 2 . . . . . . . . 5059 1
35 . 1 1 29 29 ARG HG2 H 1 1.79 0.01 . 2 . . . . . . . . 5059 1
36 . 1 1 29 29 ARG HG3 H 1 1.71 0.01 . 2 . . . . . . . . 5059 1
37 . 1 1 30 30 LEU N N 15 127.9 0.25 . 1 . . . . . . . . 5059 1
38 . 1 1 30 30 LEU H H 1 9.72 0.01 . 1 . . . . . . . . 5059 1
39 . 1 1 30 30 LEU CA C 13 53.5 0.20 . 1 . . . . . . . . 5059 1
40 . 1 1 30 30 LEU HA H 1 5.02 0.01 . 1 . . . . . . . . 5059 1
41 . 1 1 30 30 LEU CB C 13 45.1 0.20 . 1 . . . . . . . . 5059 1
42 . 1 1 30 30 LEU HB2 H 1 2.10 0.01 . 2 . . . . . . . . 5059 1
43 . 1 1 30 30 LEU HB3 H 1 2.01 0.01 . 2 . . . . . . . . 5059 1
44 . 1 1 30 30 LEU HG H 1 1.75 0.01 . 1 . . . . . . . . 5059 1
45 . 1 1 30 30 LEU HD11 H 1 1.07 0.01 . 2 . . . . . . . . 5059 1
46 . 1 1 30 30 LEU HD12 H 1 1.07 0.01 . 2 . . . . . . . . 5059 1
47 . 1 1 30 30 LEU HD13 H 1 1.07 0.01 . 2 . . . . . . . . 5059 1
48 . 1 1 30 30 LEU HD21 H 1 1.18 0.01 . 2 . . . . . . . . 5059 1
49 . 1 1 30 30 LEU HD22 H 1 1.18 0.01 . 2 . . . . . . . . 5059 1
50 . 1 1 30 30 LEU HD23 H 1 1.18 0.01 . 2 . . . . . . . . 5059 1
51 . 1 1 31 31 ASP N N 15 126.6 0.25 . 1 . . . . . . . . 5059 1
52 . 1 1 31 31 ASP H H 1 8.76 0.01 . 1 . . . . . . . . 5059 1
53 . 1 1 31 31 ASP CA C 13 53.7 0.20 . 1 . . . . . . . . 5059 1
54 . 1 1 31 31 ASP CB C 13 41.0 0.20 . 1 . . . . . . . . 5059 1
55 . 1 1 32 32 MET N N 15 123.8 0.25 . 1 . . . . . . . . 5059 1
56 . 1 1 32 32 MET H H 1 9.04 0.01 . 1 . . . . . . . . 5059 1
57 . 1 1 32 32 MET CA C 13 52.4 0.20 . 1 . . . . . . . . 5059 1
58 . 1 1 32 32 MET HA H 1 5.44 0.01 . 1 . . . . . . . . 5059 1
59 . 1 1 32 32 MET CB C 13 32.4 0.20 . 1 . . . . . . . . 5059 1
60 . 1 1 32 32 MET HB2 H 1 2.28 0.01 . 2 . . . . . . . . 5059 1
61 . 1 1 32 32 MET HB3 H 1 2.41 0.01 . 2 . . . . . . . . 5059 1
62 . 1 1 32 32 MET HG2 H 1 2.59 0.01 . 2 . . . . . . . . 5059 1
63 . 1 1 32 32 MET HE1 H 1 2.71 0.01 . 1 . . . . . . . . 5059 1
64 . 1 1 32 32 MET HE2 H 1 2.71 0.01 . 1 . . . . . . . . 5059 1
65 . 1 1 32 32 MET HE3 H 1 2.71 0.01 . 1 . . . . . . . . 5059 1
66 . 1 1 33 33 VAL N N 15 126.3 0.25 . 1 . . . . . . . . 5059 1
67 . 1 1 33 33 VAL H H 1 8.75 0.01 . 1 . . . . . . . . 5059 1
68 . 1 1 33 33 VAL CA C 13 66.1 0.20 . 1 . . . . . . . . 5059 1
69 . 1 1 33 33 VAL HA H 1 5.02 0.01 . 1 . . . . . . . . 5059 1
70 . 1 1 33 33 VAL CB C 13 30.6 0.20 . 1 . . . . . . . . 5059 1
71 . 1 1 33 33 VAL HB H 1 2.55 0.01 . 1 . . . . . . . . 5059 1
72 . 1 1 33 33 VAL HG11 H 1 1.19 0.01 . 2 . . . . . . . . 5059 1
73 . 1 1 33 33 VAL HG12 H 1 1.19 0.01 . 2 . . . . . . . . 5059 1
74 . 1 1 33 33 VAL HG13 H 1 1.19 0.01 . 2 . . . . . . . . 5059 1
75 . 1 1 33 33 VAL HG21 H 1 1.28 0.01 . 2 . . . . . . . . 5059 1
76 . 1 1 33 33 VAL HG22 H 1 1.28 0.01 . 2 . . . . . . . . 5059 1
77 . 1 1 33 33 VAL HG23 H 1 1.28 0.01 . 2 . . . . . . . . 5059 1
78 . 1 1 34 34 GLY N N 15 118.1 0.25 . 1 . . . . . . . . 5059 1
79 . 1 1 34 34 GLY H H 1 10.42 0.01 . 1 . . . . . . . . 5059 1
80 . 1 1 34 34 GLY CA C 13 44.6 0.20 . 1 . . . . . . . . 5059 1
81 . 1 1 34 34 GLY HA2 H 1 4.18 0.01 . 2 . . . . . . . . 5059 1
82 . 1 1 34 34 GLY HA3 H 1 3.93 0.01 . 2 . . . . . . . . 5059 1
83 . 1 1 35 35 GLU N N 15 119.2 0.25 . 1 . . . . . . . . 5059 1
84 . 1 1 35 35 GLU H H 1 7.79 0.01 . 1 . . . . . . . . 5059 1
85 . 1 1 35 35 GLU CA C 13 52.1 0.20 . 1 . . . . . . . . 5059 1
86 . 1 1 35 35 GLU HA H 1 5.44 0.01 . 1 . . . . . . . . 5059 1
87 . 1 1 35 35 GLU CB C 13 30.1 0.20 . 1 . . . . . . . . 5059 1
88 . 1 1 35 35 GLU HB2 H 1 2.22 0.01 . 2 . . . . . . . . 5059 1
89 . 1 1 35 35 GLU HB3 H 1 2.33 0.01 . 2 . . . . . . . . 5059 1
90 . 1 1 35 35 GLU HG2 H 1 2.65 0.01 . 2 . . . . . . . . 5059 1
91 . 1 1 36 36 PRO CD C 13 50.7 0.20 . 1 . . . . . . . . 5059 1
92 . 1 1 36 36 PRO HB2 H 1 2.66 0.01 . 2 . . . . . . . . 5059 1
93 . 1 1 36 36 PRO HG2 H 1 2.45 0.01 . 2 . . . . . . . . 5059 1
94 . 1 1 36 36 PRO HD2 H 1 4.29 0.01 . 2 . . . . . . . . 5059 1
95 . 1 1 37 37 CYS N N 15 119.6 0.25 . 1 . . . . . . . . 5059 1
96 . 1 1 37 37 CYS H H 1 9.44 0.01 . 1 . . . . . . . . 5059 1
97 . 1 1 37 37 CYS HA H 1 4.73 0.01 . 1 . . . . . . . . 5059 1
98 . 1 1 41 41 ALA N N 15 121.7 0.25 . 1 . . . . . . . . 5059 1
99 . 1 1 41 41 ALA H H 1 8.12 0.01 . 1 . . . . . . . . 5059 1
100 . 1 1 41 41 ALA CA C 13 55.4 0.20 . 1 . . . . . . . . 5059 1
101 . 1 1 41 41 ALA HA H 1 4.29 0.01 . 1 . . . . . . . . 5059 1
102 . 1 1 41 41 ALA CB C 13 18.41 0.20 . 1 . . . . . . . . 5059 1
103 . 1 1 41 41 ALA HB1 H 1 1.77 0.01 . 1 . . . . . . . . 5059 1
104 . 1 1 41 41 ALA HB2 H 1 1.77 0.01 . 1 . . . . . . . . 5059 1
105 . 1 1 41 41 ALA HB3 H 1 1.77 0.01 . 1 . . . . . . . . 5059 1
106 . 1 1 42 42 VAL N N 15 120.2 0.25 . 1 . . . . . . . . 5059 1
107 . 1 1 42 42 VAL H H 1 8.28 0.01 . 1 . . . . . . . . 5059 1
108 . 1 1 42 42 VAL CA C 13 66.4 0.20 . 1 . . . . . . . . 5059 1
109 . 1 1 42 42 VAL HA H 1 3.81 0.01 . 1 . . . . . . . . 5059 1
110 . 1 1 42 42 VAL CB C 13 31.9 0.20 . 1 . . . . . . . . 5059 1
111 . 1 1 42 42 VAL HB H 1 2.35 0.01 . 1 . . . . . . . . 5059 1
112 . 1 1 42 42 VAL HG21 H 1 1.31 0.01 . 2 . . . . . . . . 5059 1
113 . 1 1 42 42 VAL HG22 H 1 1.31 0.01 . 2 . . . . . . . . 5059 1
114 . 1 1 42 42 VAL HG23 H 1 1.31 0.01 . 2 . . . . . . . . 5059 1
115 . 1 1 43 43 ALA N N 15 121.2 0.25 . 1 . . . . . . . . 5059 1
116 . 1 1 43 43 ALA H H 1 8.90 0.01 . 1 . . . . . . . . 5059 1
117 . 1 1 43 43 ALA CA C 13 54.6 0.20 . 1 . . . . . . . . 5059 1
118 . 1 1 43 43 ALA HA H 1 4.30 0.01 . 1 . . . . . . . . 5059 1
119 . 1 1 43 43 ALA CB C 13 18.978 0.20 . 1 . . . . . . . . 5059 1
120 . 1 1 43 43 ALA HB1 H 1 1.70 0.01 . 1 . . . . . . . . 5059 1
121 . 1 1 43 43 ALA HB2 H 1 1.70 0.01 . 1 . . . . . . . . 5059 1
122 . 1 1 43 43 ALA HB3 H 1 1.70 0.01 . 1 . . . . . . . . 5059 1
123 . 1 1 44 44 THR N N 15 116.6 0.25 . 1 . . . . . . . . 5059 1
124 . 1 1 44 44 THR H H 1 7.91 0.01 . 1 . . . . . . . . 5059 1
125 . 1 1 44 44 THR CB C 13 69.9 0.20 . 1 . . . . . . . . 5059 1
126 . 1 1 44 44 THR HA H 1 4.53 0.01 . 1 . . . . . . . . 5059 1
127 . 1 1 44 44 THR HB H 1 3.76 0.01 . 1 . . . . . . . . 5059 1
128 . 1 1 44 44 THR HG21 H 1 1.17 0.01 . 1 . . . . . . . . 5059 1
129 . 1 1 44 44 THR HG22 H 1 1.17 0.01 . 1 . . . . . . . . 5059 1
130 . 1 1 44 44 THR HG23 H 1 1.17 0.01 . 1 . . . . . . . . 5059 1
131 . 1 1 45 45 LEU N N 15 119.7 0.25 . 1 . . . . . . . . 5059 1
132 . 1 1 45 45 LEU H H 1 7.86 0.01 . 1 . . . . . . . . 5059 1
133 . 1 1 45 45 LEU CA C 13 57.3 0.20 . 1 . . . . . . . . 5059 1
134 . 1 1 45 45 LEU HA H 1 4.21 0.01 . 1 . . . . . . . . 5059 1
135 . 1 1 45 45 LEU HB2 H 1 2.12 0.01 . 2 . . . . . . . . 5059 1
136 . 1 1 45 45 LEU HB3 H 1 2.03 0.01 . 2 . . . . . . . . 5059 1
137 . 1 1 45 45 LEU CB C 13 40.6 0.20 . 1 . . . . . . . . 5059 1
138 . 1 1 45 45 LEU HG H 1 1.62 0.01 . 1 . . . . . . . . 5059 1
139 . 1 1 45 45 LEU HD21 H 1 0.87 0.01 . 2 . . . . . . . . 5059 1
140 . 1 1 45 45 LEU HD22 H 1 0.87 0.01 . 2 . . . . . . . . 5059 1
141 . 1 1 45 45 LEU HD23 H 1 0.87 0.01 . 2 . . . . . . . . 5059 1
142 . 1 1 46 46 GLU N N 15 117.6 0.25 . 1 . . . . . . . . 5059 1
143 . 1 1 46 46 GLU H H 1 8.22 0.01 . 1 . . . . . . . . 5059 1
144 . 1 1 46 46 GLU CA C 13 57.8 0.20 . 1 . . . . . . . . 5059 1
145 . 1 1 46 46 GLU HA H 1 4.40 0.01 . 1 . . . . . . . . 5059 1
146 . 1 1 46 46 GLU CB C 13 36.7 0.20 . 1 . . . . . . . . 5059 1
147 . 1 1 46 46 GLU HB2 H 1 2.49 0.01 . 2 . . . . . . . . 5059 1
148 . 1 1 46 46 GLU HB3 H 1 2.34 0.01 . 2 . . . . . . . . 5059 1
149 . 1 1 46 46 GLU HG2 H 1 2.75 0.01 . 2 . . . . . . . . 5059 1
150 . 1 1 46 46 GLU HG3 H 1 2.71 0.01 . 2 . . . . . . . . 5059 1
151 . 1 1 47 47 ALA N N 15 122.2 0.25 . 1 . . . . . . . . 5059 1
152 . 1 1 47 47 ALA H H 1 7.90 0.01 . 1 . . . . . . . . 5059 1
153 . 1 1 47 47 ALA CA C 13 53.5 0.20 . 1 . . . . . . . . 5059 1
154 . 1 1 47 47 ALA HA H 1 4.51 0.01 . 1 . . . . . . . . 5059 1
155 . 1 1 47 47 ALA CB C 13 19.606 0.20 . 1 . . . . . . . . 5059 1
156 . 1 1 47 47 ALA HB1 H 1 1.64 0.01 . 1 . . . . . . . . 5059 1
157 . 1 1 47 47 ALA HB2 H 1 1.64 0.01 . 1 . . . . . . . . 5059 1
158 . 1 1 47 47 ALA HB3 H 1 1.64 0.01 . 1 . . . . . . . . 5059 1
159 . 1 1 48 48 MET N N 15 114.5 0.25 . 1 . . . . . . . . 5059 1
160 . 1 1 48 48 MET H H 1 7.53 0.01 . 1 . . . . . . . . 5059 1
161 . 1 1 48 48 MET CA C 13 56.6 0.20 . 1 . . . . . . . . 5059 1
162 . 1 1 48 48 MET HA H 1 4.67 0.01 . 1 . . . . . . . . 5059 1
163 . 1 1 48 48 MET CB C 13 28.9 0.20 . 1 . . . . . . . . 5059 1
164 . 1 1 48 48 MET HB2 H 1 2.07 0.01 . 2 . . . . . . . . 5059 1
165 . 1 1 48 48 MET HB3 H 1 2.13 0.01 . 2 . . . . . . . . 5059 1
166 . 1 1 48 48 MET HG2 H 1 2.88 0.01 . 2 . . . . . . . . 5059 1
167 . 1 1 51 51 LEU N N 15 122.7 0.25 . 1 . . . . . . . . 5059 1
168 . 1 1 51 51 LEU H H 1 7.80 0.01 . 1 . . . . . . . . 5059 1
169 . 1 1 51 51 LEU CA C 13 55.9 0.20 . 1 . . . . . . . . 5059 1
170 . 1 1 51 51 LEU HA H 1 4.51 0.01 . 1 . . . . . . . . 5059 1
171 . 1 1 51 51 LEU CB C 13 42.2 0.20 . 1 . . . . . . . . 5059 1
172 . 1 1 51 51 LEU HB2 H 1 1.96 0.01 . 2 . . . . . . . . 5059 1
173 . 1 1 51 51 LEU HG H 1 2.23 0.01 . 1 . . . . . . . . 5059 1
174 . 1 1 51 51 LEU HD11 H 1 0.78 0.01 . 2 . . . . . . . . 5059 1
175 . 1 1 51 51 LEU HD12 H 1 0.78 0.01 . 2 . . . . . . . . 5059 1
176 . 1 1 51 51 LEU HD13 H 1 0.78 0.01 . 2 . . . . . . . . 5059 1
177 . 1 1 51 51 LEU HD21 H 1 1.10 0.01 . 2 . . . . . . . . 5059 1
178 . 1 1 51 51 LEU HD22 H 1 1.10 0.01 . 2 . . . . . . . . 5059 1
179 . 1 1 51 51 LEU HD23 H 1 1.10 0.01 . 2 . . . . . . . . 5059 1
180 . 1 1 52 52 LYS N N 15 122.7 0.25 . 1 . . . . . . . . 5059 1
181 . 1 1 52 52 LYS H H 1 9.55 0.01 . 1 . . . . . . . . 5059 1
182 . 1 1 52 52 LYS CA C 13 54.3 0.20 . 1 . . . . . . . . 5059 1
183 . 1 1 52 52 LYS HA H 1 4.80 0.01 . 1 . . . . . . . . 5059 1
184 . 1 1 52 52 LYS CB C 13 33.5 0.20 . 1 . . . . . . . . 5059 1
185 . 1 1 52 52 LYS HB2 H 1 2.20 0.01 . 2 . . . . . . . . 5059 1
186 . 1 1 52 52 LYS HB3 H 1 1.80 0.01 . 2 . . . . . . . . 5059 1
187 . 1 1 52 52 LYS HG2 H 1 1.86 0.01 . 2 . . . . . . . . 5059 1
188 . 1 1 53 53 LYS H H 1 9.25 0.01 . 1 . . . . . . . . 5059 1
189 . 1 1 53 53 LYS CA C 13 58.2 0.20 . 1 . . . . . . . . 5059 1
190 . 1 1 53 53 LYS CB C 13 31.7 0.20 . 1 . . . . . . . . 5059 1
191 . 1 1 54 54 GLY N N 15 116.6 0.25 . 1 . . . . . . . . 5059 1
192 . 1 1 54 54 GLY H H 1 9.72 0.01 . 1 . . . . . . . . 5059 1
193 . 1 1 54 54 GLY CA C 13 44.9 0.20 . 1 . . . . . . . . 5059 1
194 . 1 1 54 54 GLY HA2 H 1 4.08 0.01 . 2 . . . . . . . . 5059 1
195 . 1 1 54 54 GLY HA3 H 1 3.89 0.01 . 2 . . . . . . . . 5059 1
196 . 1 1 55 55 GLU N N 15 121.7 0.25 . 1 . . . . . . . . 5059 1
197 . 1 1 55 55 GLU H H 1 8.71 0.01 . 1 . . . . . . . . 5059 1
198 . 1 1 55 55 GLU CA C 13 57.2 0.20 . 1 . . . . . . . . 5059 1
199 . 1 1 55 55 GLU HA H 1 4.81 0.01 . 1 . . . . . . . . 5059 1
200 . 1 1 55 55 GLU CB C 13 30.9 0.20 . 1 . . . . . . . . 5059 1
201 . 1 1 55 55 GLU HB2 H 1 2.24 0.01 . 2 . . . . . . . . 5059 1
202 . 1 1 55 55 GLU HB3 H 1 2.09 0.01 . 2 . . . . . . . . 5059 1
203 . 1 1 55 55 GLU HG2 H 1 2.53 0.01 . 2 . . . . . . . . 5059 1
204 . 1 1 55 55 GLU HG3 H 1 2.70 0.01 . 2 . . . . . . . . 5059 1
205 . 1 1 56 56 ILE N N 15 119.7 0.25 . 1 . . . . . . . . 5059 1
206 . 1 1 56 56 ILE H H 1 10.00 0.01 . 1 . . . . . . . . 5059 1
207 . 1 1 56 56 ILE CA C 13 58.8 0.20 . 1 . . . . . . . . 5059 1
208 . 1 1 56 56 ILE HA H 1 5.16 0.01 . 1 . . . . . . . . 5059 1
209 . 1 1 56 56 ILE CB C 13 41.3 0.20 . 1 . . . . . . . . 5059 1
210 . 1 1 56 56 ILE HB H 1 1.98 0.01 . 1 . . . . . . . . 5059 1
211 . 1 1 56 56 ILE HG12 H 1 1.13 0.01 . 1 . . . . . . . . 5059 1
212 . 1 1 56 56 ILE HG13 H 1 0.99 0.01 . 1 . . . . . . . . 5059 1
213 . 1 1 56 56 ILE HD11 H 1 1.00 0.01 . 1 . . . . . . . . 5059 1
214 . 1 1 56 56 ILE HD12 H 1 1.00 0.01 . 1 . . . . . . . . 5059 1
215 . 1 1 56 56 ILE HD13 H 1 1.00 0.01 . 1 . . . . . . . . 5059 1
216 . 1 1 57 57 LEU N N 15 131.5 0.25 . 1 . . . . . . . . 5059 1
217 . 1 1 57 57 LEU H H 1 9.90 0.01 . 1 . . . . . . . . 5059 1
218 . 1 1 57 57 LEU CA C 13 52.6 0.20 . 1 . . . . . . . . 5059 1
219 . 1 1 57 57 LEU HA H 1 5.17 0.01 . 1 . . . . . . . . 5059 1
220 . 1 1 57 57 LEU CB C 13 45.8 0.20 . 1 . . . . . . . . 5059 1
221 . 1 1 57 57 LEU HB2 H 1 2.23 0.01 . 2 . . . . . . . . 5059 1
222 . 1 1 57 57 LEU HG H 1 1.71 0.01 . 1 . . . . . . . . 5059 1
223 . 1 1 57 57 LEU CD2 C 13 24.2 0.20 . 2 . . . . . . . . 5059 1
224 . 1 1 57 57 LEU HD11 H 1 1.06 0.01 . 2 . . . . . . . . 5059 1
225 . 1 1 57 57 LEU HD12 H 1 1.06 0.01 . 2 . . . . . . . . 5059 1
226 . 1 1 57 57 LEU HD13 H 1 1.06 0.01 . 2 . . . . . . . . 5059 1
227 . 1 1 57 57 LEU HD21 H 1 1.00 0.01 . 2 . . . . . . . . 5059 1
228 . 1 1 57 57 LEU HD22 H 1 1.00 0.01 . 2 . . . . . . . . 5059 1
229 . 1 1 57 57 LEU HD23 H 1 1.00 0.01 . 2 . . . . . . . . 5059 1
230 . 1 1 58 58 GLU N N 15 127.9 0.25 . 1 . . . . . . . . 5059 1
231 . 1 1 58 58 GLU CA C 13 53.7 0.20 . 1 . . . . . . . . 5059 1
232 . 1 1 58 58 GLU HA H 1 5.94 0.01 . 1 . . . . . . . . 5059 1
233 . 1 1 58 58 GLU CB C 13 33.1 0.20 . 1 . . . . . . . . 5059 1
234 . 1 1 58 58 GLU HB2 H 1 2.08 0.01 . 2 . . . . . . . . 5059 1
235 . 1 1 58 58 GLU HB3 H 1 2.17 0.01 . 2 . . . . . . . . 5059 1
236 . 1 1 58 58 GLU HG2 H 1 2.49 0.01 . 2 . . . . . . . . 5059 1
237 . 1 1 58 58 GLU HG3 H 1 2.28 0.01 . 2 . . . . . . . . 5059 1
238 . 1 1 59 59 VAL N N 15 128.4 0.25 . 1 . . . . . . . . 5059 1
239 . 1 1 59 59 VAL H H 1 9.66 0.01 . 1 . . . . . . . . 5059 1
240 . 1 1 59 59 VAL CA C 13 60.6 0.20 . 1 . . . . . . . . 5059 1
241 . 1 1 59 59 VAL HA H 1 5.40 0.01 . 1 . . . . . . . . 5059 1
242 . 1 1 59 59 VAL CB C 13 34.6 0.20 . 1 . . . . . . . . 5059 1
243 . 1 1 59 59 VAL HB H 1 2.34 0.01 . 1 . . . . . . . . 5059 1
244 . 1 1 59 59 VAL HG11 H 1 1.17 0.01 . 2 . . . . . . . . 5059 1
245 . 1 1 59 59 VAL HG12 H 1 1.17 0.01 . 2 . . . . . . . . 5059 1
246 . 1 1 59 59 VAL HG13 H 1 1.17 0.01 . 2 . . . . . . . . 5059 1
247 . 1 1 59 59 VAL HG21 H 1 1.32 0.01 . 2 . . . . . . . . 5059 1
248 . 1 1 59 59 VAL HG22 H 1 1.32 0.01 . 2 . . . . . . . . 5059 1
249 . 1 1 59 59 VAL HG23 H 1 1.32 0.01 . 2 . . . . . . . . 5059 1
250 . 1 1 60 60 VAL N N 15 126.3 0.25 . 1 . . . . . . . . 5059 1
251 . 1 1 60 60 VAL H H 1 8.72 0.01 . 1 . . . . . . . . 5059 1
252 . 1 1 60 60 VAL CA C 13 60.3 0.20 . 1 . . . . . . . . 5059 1
253 . 1 1 60 60 VAL HA H 1 5.49 0.01 . 1 . . . . . . . . 5059 1
254 . 1 1 60 60 VAL CB C 13 33.3 0.20 . 1 . . . . . . . . 5059 1
255 . 1 1 60 60 VAL HB H 1 2.38 0.01 . 1 . . . . . . . . 5059 1
256 . 1 1 60 60 VAL HG21 H 1 1.19 0.01 . 2 . . . . . . . . 5059 1
257 . 1 1 60 60 VAL HG22 H 1 1.19 0.01 . 2 . . . . . . . . 5059 1
258 . 1 1 60 60 VAL HG23 H 1 1.19 0.01 . 2 . . . . . . . . 5059 1
259 . 1 1 61 61 SER N N 15 118.6 0.25 . 1 . . . . . . . . 5059 1
260 . 1 1 61 61 SER H H 1 9.54 0.01 . 1 . . . . . . . . 5059 1
261 . 1 1 61 61 SER CA C 13 56.6 0.20 . 1 . . . . . . . . 5059 1
262 . 1 1 61 61 SER HA H 1 4.88 0.01 . 1 . . . . . . . . 5059 1
263 . 1 1 61 61 SER CB C 13 66.1 0.20 . 1 . . . . . . . . 5059 1
264 . 1 1 61 61 SER HB2 H 1 4.04 0.01 . 2 . . . . . . . . 5059 1
265 . 1 1 62 62 ASP N N 15 126.9 0.25 . 1 . . . . . . . . 5059 1
266 . 1 1 62 62 ASP H H 1 8.99 0.01 . 1 . . . . . . . . 5059 1
267 . 1 1 62 62 ASP CA C 13 52.4 0.20 . 1 . . . . . . . . 5059 1
268 . 1 1 62 62 ASP HA H 1 5.64 0.01 . 1 . . . . . . . . 5059 1
269 . 1 1 62 62 ASP CB C 13 40.6 0.20 . 1 . . . . . . . . 5059 1
270 . 1 1 62 62 ASP HB2 H 1 3.37 0.01 . 2 . . . . . . . . 5059 1
271 . 1 1 62 62 ASP HB3 H 1 2.69 0.01 . 2 . . . . . . . . 5059 1
272 . 1 1 63 63 CYS N N 15 125.8 0.25 . 1 . . . . . . . . 5059 1
273 . 1 1 63 63 CYS H H 1 8.40 0.01 . 1 . . . . . . . . 5059 1
274 . 1 1 63 63 CYS CA C 13 57.0 0.20 . 1 . . . . . . . . 5059 1
275 . 1 1 63 63 CYS HA H 1 5.26 0.01 . 1 . . . . . . . . 5059 1
276 . 1 1 63 63 CYS HB2 H 1 3.24 0.01 . 2 . . . . . . . . 5059 1
277 . 1 1 63 63 CYS HB3 H 1 3.50 0.01 . 2 . . . . . . . . 5059 1
278 . 1 1 64 64 PRO CD C 13 51.5 0.20 . 1 . . . . . . . . 5059 1
279 . 1 1 64 64 PRO CA C 13 57.383 0.20 . 1 . . . . . . . . 5059 1
280 . 1 1 64 64 PRO HB2 H 1 2.72 0.01 . 2 . . . . . . . . 5059 1
281 . 1 1 64 64 PRO HG2 H 1 2.45 0.01 . 2 . . . . . . . . 5059 1
282 . 1 1 64 64 PRO HD2 H 1 4.57 0.01 . 2 . . . . . . . . 5059 1
283 . 1 1 65 65 GLN N N 15 119.6 0.25 . 1 . . . . . . . . 5059 1
284 . 1 1 65 65 GLN H H 1 8.97 0.01 . 1 . . . . . . . . 5059 1
285 . 1 1 65 65 GLN CA C 13 57.2 0.20 . 1 . . . . . . . . 5059 1
286 . 1 1 65 65 GLN CB C 13 28.7 0.20 . 1 . . . . . . . . 5059 1
287 . 1 1 66 66 SER N N 15 124.3 0.25 . 1 . . . . . . . . 5059 1
288 . 1 1 66 66 SER H H 1 8.89 0.01 . 1 . . . . . . . . 5059 1
289 . 1 1 66 66 SER HA H 1 4.67 0.01 . 1 . . . . . . . . 5059 1
290 . 1 1 66 66 SER HB2 H 1 4.05 0.01 . 2 . . . . . . . . 5059 1
291 . 1 1 66 66 SER HB3 H 1 3.98 0.01 . 2 . . . . . . . . 5059 1
292 . 1 1 67 67 ILE N N 15 122.7 0.25 . 1 . . . . . . . . 5059 1
293 . 1 1 67 67 ILE H H 1 7.49 0.01 . 1 . . . . . . . . 5059 1
294 . 1 1 67 67 ILE CA C 13 63.1 0.20 . 1 . . . . . . . . 5059 1
295 . 1 1 67 67 ILE HA H 1 4.79 0.01 . 1 . . . . . . . . 5059 1
296 . 1 1 67 67 ILE CB C 13 38.7 0.20 . 1 . . . . . . . . 5059 1
297 . 1 1 67 67 ILE HB H 1 2.12 0.01 . 1 . . . . . . . . 5059 1
298 . 1 1 67 67 ILE HG12 H 1 1.26 0.01 . 1 . . . . . . . . 5059 1
299 . 1 1 68 68 ASN N N 15 116.1 0.25 . 1 . . . . . . . . 5059 1
300 . 1 1 68 68 ASN H H 1 7.74 0.01 . 1 . . . . . . . . 5059 1
301 . 1 1 68 68 ASN CA C 13 53.8 0.20 . 1 . . . . . . . . 5059 1
302 . 1 1 68 68 ASN HA H 1 5.16 0.01 . 1 . . . . . . . . 5059 1
303 . 1 1 68 68 ASN CB C 13 39.3 0.20 . 1 . . . . . . . . 5059 1
304 . 1 1 68 68 ASN HB2 H 1 3.23 0.01 . 2 . . . . . . . . 5059 1
305 . 1 1 68 68 ASN HB3 H 1 3.10 0.01 . 2 . . . . . . . . 5059 1
306 . 1 1 70 70 ILE N N 15 118.1 0.25 . 1 . . . . . . . . 5059 1
307 . 1 1 70 70 ILE H H 1 8.84 0.01 . 1 . . . . . . . . 5059 1
308 . 1 1 70 70 ILE CA C 13 67.6 0.20 . 1 . . . . . . . . 5059 1
309 . 1 1 70 70 ILE HA H 1 5.02 0.01 . 1 . . . . . . . . 5059 1
310 . 1 1 70 70 ILE CB C 13 35.1 0.20 . 1 . . . . . . . . 5059 1
311 . 1 1 70 70 ILE HB H 1 1.83 0.01 . 1 . . . . . . . . 5059 1
312 . 1 1 70 70 ILE HG12 H 1 1.68 0.01 . 1 . . . . . . . . 5059 1
313 . 1 1 70 70 ILE HG13 H 1 1.07 0.01 . 2 . . . . . . . . 5059 1
314 . 1 1 70 70 ILE CD1 C 13 13.0 0.20 . 1 . . . . . . . . 5059 1
315 . 1 1 70 70 ILE HD11 H 1 0.63 0.01 . 1 . . . . . . . . 5059 1
316 . 1 1 70 70 ILE HD12 H 1 0.63 0.01 . 1 . . . . . . . . 5059 1
317 . 1 1 70 70 ILE HD13 H 1 0.63 0.01 . 1 . . . . . . . . 5059 1
318 . 1 1 71 71 PRO CA C 13 66.0 0.20 . 1 . . . . . . . . 5059 1
319 . 1 1 71 71 PRO CB C 13 30.9 0.20 . 1 . . . . . . . . 5059 1
320 . 1 1 72 72 LEU N N 15 118.2 0.25 . 1 . . . . . . . . 5059 1
321 . 1 1 72 72 LEU H H 1 7.11 0.01 . 1 . . . . . . . . 5059 1
322 . 1 1 72 72 LEU CA C 13 57.8 0.20 . 1 . . . . . . . . 5059 1
323 . 1 1 72 72 LEU HA H 1 4.44 0.01 . 1 . . . . . . . . 5059 1
324 . 1 1 72 72 LEU CB C 13 42.0 0.20 . 1 . . . . . . . . 5059 1
325 . 1 1 72 72 LEU HB2 H 1 2.02 0.01 . 2 . . . . . . . . 5059 1
326 . 1 1 72 72 LEU HB3 H 1 2.31 0.01 . 2 . . . . . . . . 5059 1
327 . 1 1 72 72 LEU HG H 1 2.09 0.01 . 1 . . . . . . . . 5059 1
328 . 1 1 72 72 LEU HD11 H 1 1.28 0.01 . 2 . . . . . . . . 5059 1
329 . 1 1 72 72 LEU HD12 H 1 1.28 0.01 . 2 . . . . . . . . 5059 1
330 . 1 1 72 72 LEU HD13 H 1 1.28 0.01 . 2 . . . . . . . . 5059 1
331 . 1 1 72 72 LEU HD21 H 1 1.25 0.01 . 2 . . . . . . . . 5059 1
332 . 1 1 72 72 LEU HD22 H 1 1.25 0.01 . 2 . . . . . . . . 5059 1
333 . 1 1 72 72 LEU HD23 H 1 1.25 0.01 . 2 . . . . . . . . 5059 1
334 . 1 1 73 73 ASP N N 15 120.2 0.25 . 1 . . . . . . . . 5059 1
335 . 1 1 73 73 ASP H H 1 8.65 0.01 . 1 . . . . . . . . 5059 1
336 . 1 1 73 73 ASP CA C 13 57.5 0.20 . 1 . . . . . . . . 5059 1
337 . 1 1 73 73 ASP HA H 1 4.89 0.01 . 1 . . . . . . . . 5059 1
338 . 1 1 73 73 ASP CB C 13 40.0 0.20 . 1 . . . . . . . . 5059 1
339 . 1 1 73 73 ASP HB2 H 1 3.09 0.01 . 2 . . . . . . . . 5059 1
340 . 1 1 73 73 ASP HB3 H 1 2.84 0.01 . 2 . . . . . . . . 5059 1
341 . 1 1 74 74 ALA N N 15 121.2 0.25 . 1 . . . . . . . . 5059 1
342 . 1 1 74 74 ALA H H 1 8.87 0.01 . 1 . . . . . . . . 5059 1
343 . 1 1 74 74 ALA CA C 13 55.6 0.20 . 1 . . . . . . . . 5059 1
344 . 1 1 74 74 ALA HA H 1 4.40 0.01 . 1 . . . . . . . . 5059 1
345 . 1 1 74 74 ALA CB C 13 17.4 0.20 . 1 . . . . . . . . 5059 1
346 . 1 1 74 74 ALA HB1 H 1 1.68 0.01 . 1 . . . . . . . . 5059 1
347 . 1 1 74 74 ALA HB2 H 1 1.68 0.01 . 1 . . . . . . . . 5059 1
348 . 1 1 74 74 ALA HB3 H 1 1.68 0.01 . 1 . . . . . . . . 5059 1
349 . 1 1 75 75 ARG N N 15 118.1 0.25 . 1 . . . . . . . . 5059 1
350 . 1 1 75 75 ARG H H 1 8.30 0.01 . 1 . . . . . . . . 5059 1
351 . 1 1 75 75 ARG CA C 13 58.9 0.20 . 1 . . . . . . . . 5059 1
352 . 1 1 75 75 ARG HA H 1 4.69 0.01 . 1 . . . . . . . . 5059 1
353 . 1 1 75 75 ARG CB C 13 29.7 0.20 . 1 . . . . . . . . 5059 1
354 . 1 1 75 75 ARG HB2 H 1 2.34 0.01 . 2 . . . . . . . . 5059 1
355 . 1 1 75 75 ARG HB3 H 1 2.24 0.01 . 2 . . . . . . . . 5059 1
356 . 1 1 75 75 ARG HG2 H 1 1.18 0.01 . 2 . . . . . . . . 5059 1
357 . 1 1 76 76 ASN N N 15 119.7 0.25 . 1 . . . . . . . . 5059 1
358 . 1 1 76 76 ASN H H 1 8.87 0.01 . 1 . . . . . . . . 5059 1
359 . 1 1 76 76 ASN CA C 13 54.9 0.20 . 1 . . . . . . . . 5059 1
360 . 1 1 76 76 ASN HA H 1 4.84 0.01 . 1 . . . . . . . . 5059 1
361 . 1 1 76 76 ASN CB C 13 37.4 0.20 . 1 . . . . . . . . 5059 1
362 . 1 1 76 76 ASN HB2 H 1 3.36 0.01 . 2 . . . . . . . . 5059 1
363 . 1 1 77 77 HIS N N 15 117.1 0.25 . 1 . . . . . . . . 5059 1
364 . 1 1 77 77 HIS H H 1 7.92 0.01 . 1 . . . . . . . . 5059 1
365 . 1 1 77 77 HIS CA C 13 57.2 0.20 . 1 . . . . . . . . 5059 1
366 . 1 1 77 77 HIS HA H 1 4.66 0.01 . 1 . . . . . . . . 5059 1
367 . 1 1 77 77 HIS CB C 13 30.5 0.20 . 1 . . . . . . . . 5059 1
368 . 1 1 77 77 HIS HB2 H 1 3.42 0.01 . 2 . . . . . . . . 5059 1
369 . 1 1 77 77 HIS HB3 H 1 2.91 0.01 . 2 . . . . . . . . 5059 1
370 . 1 1 78 78 GLY N N 15 106.3 0.25 . 1 . . . . . . . . 5059 1
371 . 1 1 78 78 GLY H H 1 7.91 0.01 . 1 . . . . . . . . 5059 1
372 . 1 1 78 78 GLY CA C 13 45.5 0.20 . 1 . . . . . . . . 5059 1
373 . 1 1 78 78 GLY HA2 H 1 4.06 0.01 . 2 . . . . . . . . 5059 1
374 . 1 1 78 78 GLY HA3 H 1 4.30 0.01 . 2 . . . . . . . . 5059 1
375 . 1 1 79 79 TYR N N 15 121.7 0.25 . 1 . . . . . . . . 5059 1
376 . 1 1 79 79 TYR H H 1 8.30 0.01 . 1 . . . . . . . . 5059 1
377 . 1 1 79 79 TYR CA C 13 54.8 0.20 . 1 . . . . . . . . 5059 1
378 . 1 1 79 79 TYR HA H 1 5.55 0.01 . 1 . . . . . . . . 5059 1
379 . 1 1 79 79 TYR CB C 13 38.3 0.20 . 1 . . . . . . . . 5059 1
380 . 1 1 79 79 TYR HB2 H 1 3.54 0.01 . 2 . . . . . . . . 5059 1
381 . 1 1 79 79 TYR HB3 H 1 2.80 0.01 . 2 . . . . . . . . 5059 1
382 . 1 1 79 79 TYR CD2 C 13 132.2 0.20 . 3 . . . . . . . . 5059 1
383 . 1 1 79 79 TYR HD2 H 1 7.40 0.01 . 3 . . . . . . . . 5059 1
384 . 1 1 80 80 THR N N 15 116.6 0.25 . 1 . . . . . . . . 5059 1
385 . 1 1 80 80 THR H H 1 9.00 0.01 . 1 . . . . . . . . 5059 1
386 . 1 1 80 80 THR CA C 13 62.4 0.20 . 1 . . . . . . . . 5059 1
387 . 1 1 80 80 THR HA H 1 4.83 0.01 . 1 . . . . . . . . 5059 1
388 . 1 1 80 80 THR CB C 13 70.8 0.20 . 1 . . . . . . . . 5059 1
389 . 1 1 80 80 THR HB H 1 4.43 0.01 . 1 . . . . . . . . 5059 1
390 . 1 1 80 80 THR HG21 H 1 1.43 0.01 . 1 . . . . . . . . 5059 1
391 . 1 1 80 80 THR HG22 H 1 1.43 0.01 . 1 . . . . . . . . 5059 1
392 . 1 1 80 80 THR HG23 H 1 1.43 0.01 . 1 . . . . . . . . 5059 1
393 . 1 1 81 81 VAL N N 15 129.4 0.25 . 1 . . . . . . . . 5059 1
394 . 1 1 81 81 VAL H H 1 9.44 0.01 . 1 . . . . . . . . 5059 1
395 . 1 1 81 81 VAL CA C 13 62.5 0.20 . 1 . . . . . . . . 5059 1
396 . 1 1 81 81 VAL HA H 1 5.03 0.01 . 1 . . . . . . . . 5059 1
397 . 1 1 81 81 VAL CB C 13 30.7 0.20 . 1 . . . . . . . . 5059 1
398 . 1 1 82 82 LEU N N 15 129.9 0.25 . 1 . . . . . . . . 5059 1
399 . 1 1 82 82 LEU H H 1 9.41 0.01 . 1 . . . . . . . . 5059 1
400 . 1 1 82 82 LEU CA C 13 56.0 0.20 . 1 . . . . . . . . 5059 1
401 . 1 1 82 82 LEU HA H 1 4.58 0.01 . 1 . . . . . . . . 5059 1
402 . 1 1 82 82 LEU CB C 13 43.504 0.20 . 1 . . . . . . . . 5059 1
403 . 1 1 82 82 LEU HB2 H 1 1.89 0.01 . 2 . . . . . . . . 5059 1
404 . 1 1 82 82 LEU HB3 H 1 2.56 0.01 . 2 . . . . . . . . 5059 1
405 . 1 1 82 82 LEU HG H 1 1.76 0.01 . 1 . . . . . . . . 5059 1
406 . 1 1 82 82 LEU HD11 H 1 1.28 0.01 . 2 . . . . . . . . 5059 1
407 . 1 1 82 82 LEU HD12 H 1 1.28 0.01 . 2 . . . . . . . . 5059 1
408 . 1 1 82 82 LEU HD13 H 1 1.28 0.01 . 2 . . . . . . . . 5059 1
409 . 1 1 82 82 LEU HD21 H 1 1.14 0.01 . 2 . . . . . . . . 5059 1
410 . 1 1 82 82 LEU HD22 H 1 1.14 0.01 . 2 . . . . . . . . 5059 1
411 . 1 1 82 82 LEU HD23 H 1 1.14 0.01 . 2 . . . . . . . . 5059 1
412 . 1 1 83 83 ASP N N 15 114.0 0.25 . 1 . . . . . . . . 5059 1
413 . 1 1 83 83 ASP H H 1 7.88 0.01 . 1 . . . . . . . . 5059 1
414 . 1 1 83 83 ASP CA C 13 54.0 0.20 . 1 . . . . . . . . 5059 1
415 . 1 1 83 83 ASP HA H 1 5.14 0.01 . 1 . . . . . . . . 5059 1
416 . 1 1 83 83 ASP CB C 13 44.6 0.20 . 1 . . . . . . . . 5059 1
417 . 1 1 83 83 ASP HB2 H 1 3.03 0.01 . 2 . . . . . . . . 5059 1
418 . 1 1 83 83 ASP HB3 H 1 2.61 0.01 . 2 . . . . . . . . 5059 1
419 . 1 1 84 84 ILE N N 15 122.7 0.25 . 1 . . . . . . . . 5059 1
420 . 1 1 84 84 ILE H H 1 8.22 0.01 . 1 . . . . . . . . 5059 1
421 . 1 1 84 84 ILE CA C 13 61.4 0.20 . 1 . . . . . . . . 5059 1
422 . 1 1 84 84 ILE HA H 1 4.87 0.01 . 1 . . . . . . . . 5059 1
423 . 1 1 84 84 ILE CB C 13 41.1 0.20 . 1 . . . . . . . . 5059 1
424 . 1 1 84 84 ILE HB H 1 1.90 0.01 . 1 . . . . . . . . 5059 1
425 . 1 1 84 84 ILE HG12 H 1 1.16 0.01 . 1 . . . . . . . . 5059 1
426 . 1 1 84 84 ILE HG13 H 1 1.27 0.01 . 1 . . . . . . . . 5059 1
427 . 1 1 84 84 ILE CG1 C 13 17.1 0.20 . 2 . . . . . . . . 5059 1
428 . 1 1 84 84 ILE HG21 H 1 1.30 0.01 . 1 . . . . . . . . 5059 1
429 . 1 1 84 84 ILE HG22 H 1 1.30 0.01 . 1 . . . . . . . . 5059 1
430 . 1 1 84 84 ILE HG23 H 1 1.30 0.01 . 1 . . . . . . . . 5059 1
431 . 1 1 84 84 ILE HD11 H 1 0.76 0.01 . 1 . . . . . . . . 5059 1
432 . 1 1 84 84 ILE HD12 H 1 0.76 0.01 . 1 . . . . . . . . 5059 1
433 . 1 1 84 84 ILE HD13 H 1 0.76 0.01 . 1 . . . . . . . . 5059 1
434 . 1 1 85 85 GLN N N 15 126.3 0.25 . 1 . . . . . . . . 5059 1
435 . 1 1 85 85 GLN H H 1 9.25 0.01 . 1 . . . . . . . . 5059 1
436 . 1 1 85 85 GLN CA C 13 53.7 0.20 . 1 . . . . . . . . 5059 1
437 . 1 1 85 85 GLN HA H 1 5.01 0.01 . 1 . . . . . . . . 5059 1
438 . 1 1 85 85 GLN CB C 13 31.4 0.20 . 1 . . . . . . . . 5059 1
439 . 1 1 85 85 GLN HB2 H 1 2.32 0.01 . 2 . . . . . . . . 5059 1
440 . 1 1 85 85 GLN HB3 H 1 2.11 0.01 . 2 . . . . . . . . 5059 1
441 . 1 1 85 85 GLN HG2 H 1 2.50 0.01 . 2 . . . . . . . . 5059 1
442 . 1 1 86 86 GLN CA C 13 55.1 0.20 . 1 . . . . . . . . 5059 1
443 . 1 1 86 86 GLN HA H 1 5.08 0.01 . 1 . . . . . . . . 5059 1
444 . 1 1 86 86 GLN CB C 13 27.6 0.20 . 1 . . . . . . . . 5059 1
445 . 1 1 86 86 GLN HB2 H 1 2.12 0.01 . 2 . . . . . . . . 5059 1
446 . 1 1 86 86 GLN HB3 H 1 2.31 0.01 . 2 . . . . . . . . 5059 1
447 . 1 1 86 86 GLN HG2 H 1 2.53 0.01 . 2 . . . . . . . . 5059 1
448 . 1 1 87 87 ASP N N 15 127.3 0.25 . 1 . . . . . . . . 5059 1
449 . 1 1 87 87 ASP H H 1 8.99 0.01 . 1 . . . . . . . . 5059 1
450 . 1 1 87 87 ASP CA C 13 53.0 0.20 . 1 . . . . . . . . 5059 1
451 . 1 1 87 87 ASP CB C 13 41.6 0.20 . 1 . . . . . . . . 5059 1
452 . 1 1 89 89 PRO CA C 13 63.6 0.20 . 1 . . . . . . . . 5059 1
453 . 1 1 89 89 PRO CB C 13 32.6 0.20 . 1 . . . . . . . . 5059 1
454 . 1 1 90 90 THR N N 15 113.5 0.25 . 1 . . . . . . . . 5059 1
455 . 1 1 90 90 THR H H 1 7.86 0.01 . 1 . . . . . . . . 5059 1
456 . 1 1 90 90 THR CA C 13 62.5 0.20 . 1 . . . . . . . . 5059 1
457 . 1 1 90 90 THR HA H 1 4.61 0.01 . 1 . . . . . . . . 5059 1
458 . 1 1 90 90 THR CB C 13 69.9 0.20 . 1 . . . . . . . . 5059 1
459 . 1 1 90 90 THR HB H 1 4.39 0.01 . 1 . . . . . . . . 5059 1
460 . 1 1 90 90 THR HG21 H 1 1.38 0.01 . 1 . . . . . . . . 5059 1
461 . 1 1 90 90 THR HG22 H 1 1.38 0.01 . 1 . . . . . . . . 5059 1
462 . 1 1 90 90 THR HG23 H 1 1.38 0.01 . 1 . . . . . . . . 5059 1
463 . 1 1 91 91 ILE N N 15 127.4 0.25 . 1 . . . . . . . . 5059 1
464 . 1 1 91 91 ILE H H 1 9.30 0.01 . 1 . . . . . . . . 5059 1
465 . 1 1 91 91 ILE CA C 13 60.3 0.20 . 1 . . . . . . . . 5059 1
466 . 1 1 91 91 ILE HA H 1 4.79 0.01 . 1 . . . . . . . . 5059 1
467 . 1 1 91 91 ILE CB C 13 39.3 0.20 . 1 . . . . . . . . 5059 1
468 . 1 1 91 91 ILE HB H 1 1.92 0.01 . 1 . . . . . . . . 5059 1
469 . 1 1 91 91 ILE HG12 H 1 1.10 0.01 . 1 . . . . . . . . 5059 1
470 . 1 1 91 91 ILE CD1 C 13 18.7 0.20 . 1 . . . . . . . . 5059 1
471 . 1 1 91 91 ILE HD11 H 1 0.47 0.01 . 1 . . . . . . . . 5059 1
472 . 1 1 91 91 ILE HD12 H 1 0.47 0.01 . 1 . . . . . . . . 5059 1
473 . 1 1 91 91 ILE HD13 H 1 0.47 0.01 . 1 . . . . . . . . 5059 1
474 . 1 1 92 92 ARG N N 15 125.3 0.25 . 1 . . . . . . . . 5059 1
475 . 1 1 92 92 ARG H H 1 8.96 0.01 . 1 . . . . . . . . 5059 1
476 . 1 1 92 92 ARG CA C 13 53.7 0.20 . 1 . . . . . . . . 5059 1
477 . 1 1 92 92 ARG HA H 1 5.63 0.01 . 1 . . . . . . . . 5059 1
478 . 1 1 92 92 ARG CB C 13 33.0 0.20 . 1 . . . . . . . . 5059 1
479 . 1 1 92 92 ARG HB2 H 1 1.91 0.01 . 1 . . . . . . . . 5059 1
480 . 1 1 92 92 ARG HB3 H 1 1.91 0.01 . 1 . . . . . . . . 5059 1
481 . 1 1 92 92 ARG HG2 H 1 1.83 0.01 . 2 . . . . . . . . 5059 1
482 . 1 1 92 92 ARG HG3 H 1 1.67 0.01 . 2 . . . . . . . . 5059 1
483 . 1 1 92 92 ARG HD2 H 1 3.44 0.01 . 2 . . . . . . . . 5059 1
484 . 1 1 93 93 TYR N N 15 123.3 0.25 . 1 . . . . . . . . 5059 1
485 . 1 1 93 93 TYR H H 1 9.83 0.01 . 1 . . . . . . . . 5059 1
486 . 1 1 93 93 TYR CA C 13 56.2 0.20 . 1 . . . . . . . . 5059 1
487 . 1 1 93 93 TYR HA H 1 5.27 0.01 . 1 . . . . . . . . 5059 1
488 . 1 1 93 93 TYR CB C 13 40.5 0.20 . 1 . . . . . . . . 5059 1
489 . 1 1 93 93 TYR HB2 H 1 2.93 0.01 . 2 . . . . . . . . 5059 1
490 . 1 1 93 93 TYR HB3 H 1 3.33 0.01 . 2 . . . . . . . . 5059 1
491 . 1 1 93 93 TYR CE2 C 13 117.4 0.20 . 3 . . . . . . . . 5059 1
492 . 1 1 93 93 TYR HE2 H 1 6.83 0.01 . 3 . . . . . . . . 5059 1
493 . 1 1 93 93 TYR HD2 H 1 7.27 0.01 . 3 . . . . . . . . 5059 1
494 . 1 1 94 94 LEU N N 15 123.8 0.25 . 1 . . . . . . . . 5059 1
495 . 1 1 94 94 LEU H H 1 8.76 0.01 . 1 . . . . . . . . 5059 1
496 . 1 1 94 94 LEU CA C 13 53.2 0.20 . 1 . . . . . . . . 5059 1
497 . 1 1 94 94 LEU HA H 1 5.68 0.01 . 1 . . . . . . . . 5059 1
498 . 1 1 94 94 LEU CB C 13 43.3 0.20 . 1 . . . . . . . . 5059 1
499 . 1 1 94 94 LEU HB2 H 1 2.14 0.01 . 2 . . . . . . . . 5059 1
500 . 1 1 94 94 LEU HB3 H 1 2.02 0.01 . 2 . . . . . . . . 5059 1
501 . 1 1 94 94 LEU HG H 1 1.46 0.01 . 1 . . . . . . . . 5059 1
502 . 1 1 94 94 LEU HD11 H 1 1.28 0.01 . 2 . . . . . . . . 5059 1
503 . 1 1 94 94 LEU HD12 H 1 1.28 0.01 . 2 . . . . . . . . 5059 1
504 . 1 1 94 94 LEU HD13 H 1 1.28 0.01 . 2 . . . . . . . . 5059 1
505 . 1 1 94 94 LEU HD21 H 1 1.15 0.01 . 2 . . . . . . . . 5059 1
506 . 1 1 94 94 LEU HD22 H 1 1.15 0.01 . 2 . . . . . . . . 5059 1
507 . 1 1 94 94 LEU HD23 H 1 1.15 0.01 . 2 . . . . . . . . 5059 1
508 . 1 1 95 95 ILE N N 15 125.8 0.25 . 1 . . . . . . . . 5059 1
509 . 1 1 95 95 ILE H H 1 9.76 0.01 . 1 . . . . . . . . 5059 1
510 . 1 1 95 95 ILE CA C 13 59.6 0.20 . 1 . . . . . . . . 5059 1
511 . 1 1 95 95 ILE HA H 1 5.14 0.01 . 1 . . . . . . . . 5059 1
512 . 1 1 95 95 ILE CB C 13 40.6 0.20 . 1 . . . . . . . . 5059 1
513 . 1 1 95 95 ILE HB H 1 2.16 0.01 . 1 . . . . . . . . 5059 1
514 . 1 1 95 95 ILE HG12 H 1 1.62 0.01 . 1 . . . . . . . . 5059 1
515 . 1 1 95 95 ILE HG13 H 1 1.16 0.01 . 2 . . . . . . . . 5059 1
516 . 1 1 95 95 ILE CD1 C 13 18.5 0.20 . 1 . . . . . . . . 5059 1
517 . 1 1 95 95 ILE HD11 H 1 1.02 0.01 . 1 . . . . . . . . 5059 1
518 . 1 1 95 95 ILE HD12 H 1 1.02 0.01 . 1 . . . . . . . . 5059 1
519 . 1 1 95 95 ILE HD13 H 1 1.02 0.01 . 1 . . . . . . . . 5059 1
520 . 1 1 96 96 GLN N N 15 128.9 0.25 . 1 . . . . . . . . 5059 1
521 . 1 1 96 96 GLN H H 1 9.98 0.01 . 1 . . . . . . . . 5059 1
522 . 1 1 96 96 GLN CA C 13 53.5 0.20 . 1 . . . . . . . . 5059 1
523 . 1 1 96 96 GLN HA H 1 5.55 0.01 . 1 . . . . . . . . 5059 1
524 . 1 1 96 96 GLN CB C 13 33.0 0.20 . 1 . . . . . . . . 5059 1
525 . 1 1 96 96 GLN HB3 H 1 1.99 0.01 . 2 . . . . . . . . 5059 1
526 . 1 1 96 96 GLN HG2 H 1 2.40 0.01 . 2 . . . . . . . . 5059 1
527 . 1 1 97 97 LYS N N 15 134.0 0.25 . 1 . . . . . . . . 5059 1
528 . 1 1 97 97 LYS H H 1 8.74 0.01 . 1 . . . . . . . . 5059 1
529 . 1 1 97 97 LYS CA C 13 58.4 0.20 . 1 . . . . . . . . 5059 1
530 . 1 1 97 97 LYS HA H 1 4.40 0.01 . 1 . . . . . . . . 5059 1
531 . 1 1 97 97 LYS CB C 13 33.4 0.20 . 1 . . . . . . . . 5059 1
532 . 1 1 97 97 LYS HB2 H 1 2.46 0.01 . 2 . . . . . . . . 5059 1
533 . 1 1 97 97 LYS HB3 H 1 2.30 0.01 . 2 . . . . . . . . 5059 1
534 . 1 1 97 97 LYS HG2 H 1 1.49 0.01 . 2 . . . . . . . . 5059 1
535 . 1 1 97 97 LYS HD3 H 1 1.64 0.01 . 2 . . . . . . . . 5059 1
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