data_11328
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 11328
_Entry.Title
;
Solution structure of the B-box domain of the zinc finger FYVE
domain-containing protein 19 from Mus musculus
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2010-08-10
_Entry.Accession_date 2010-08-10
_Entry.Last_release_date 2011-08-19
_Entry.Original_release_date 2011-08-19
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.9.14
_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 K. Miyamoto . . . 11328
2 T. Kigawa . . . 11328
3 M. Sato . . . 11328
4 S. Koshiba . . . 11328
5 M. Inoue . . . 11328
6 S. Yokoyama . . . 11328
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
. 'Protein 3000' 'RIKEN Structural Genomics/Proteomics Initiative (RSGI)' . 11328
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 11328
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 232 11328
'15N chemical shifts' 53 11328
'1H chemical shifts' 347 11328
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 . . 2011-08-19 2010-08-10 original author . 11328
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2D8V 'BMRB Entry Tracking System' 11328
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 11328
_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 structure of the B-box domain of the zinc finger FYVE
domain-containing protein 19 from Mus musculus
;
_Citation.Status 'in preparation'
_Citation.Type journal
_Citation.Journal_abbrev .
_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 K. Miyamoto . . . 11328 1
2 T. Kigawa . . . 11328 1
3 M. Sato . . . 11328 1
4 S. Koshiba . . . 11328 1
5 M. Inoue . . . 11328 1
6 S. Yokoyama . . . 11328 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 11328
_Assembly.ID 1
_Assembly.Name 'Zinc finger FYVE domain-containing protein 19'
_Assembly.BMRB_code .
_Assembly.Number_of_components 3
_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 'zf-B box' 1 $entity_1 A . yes native no no . . . 11328 1
2 'ZINC ION no.1' 2 $ZN B . no native no no . . . 11328 1
3 'ZINC ION no.2' 2 $ZN C . no native no no . . . 11328 1
stop_
loop_
_Bond.ID
_Bond.Type
_Bond.Value_order
_Bond.Assembly_atom_ID_1
_Bond.Entity_assembly_ID_1
_Bond.Entity_assembly_name_1
_Bond.Entity_ID_1
_Bond.Comp_ID_1
_Bond.Comp_index_ID_1
_Bond.Seq_ID_1
_Bond.Atom_ID_1
_Bond.Assembly_atom_ID_2
_Bond.Entity_assembly_ID_2
_Bond.Entity_assembly_name_2
_Bond.Entity_ID_2
_Bond.Comp_ID_2
_Bond.Comp_index_ID_2
_Bond.Seq_ID_2
_Bond.Atom_ID_2
_Bond.Auth_entity_assembly_ID_1
_Bond.Auth_entity_assembly_name_1
_Bond.Auth_seq_ID_1
_Bond.Auth_comp_ID_1
_Bond.Auth_atom_ID_1
_Bond.Auth_entity_assembly_ID_2
_Bond.Auth_entity_assembly_name_2
_Bond.Auth_seq_ID_2
_Bond.Auth_comp_ID_2
_Bond.Auth_atom_ID_2
_Bond.Entry_ID
_Bond.Assembly_ID
1 coordination single . 1 'zf-B box' 1 CYS 11 11 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 11 CYS SG . . . . ZN 11328 1
2 coordination single . 1 'zf-B box' 1 CYS 14 14 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 14 CYS SG . . . . ZN 11328 1
3 coordination single . 1 'zf-B box' 1 CYS 31 31 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 31 CYS SG . . . . ZN 11328 1
4 coordination single . 1 'zf-B box' 1 CYS 34 34 SG . 2 'ZINC ION no.1' 2 ZN 1 1 ZN . . 34 CYS SG . . . . ZN 11328 1
5 coordination single . 1 'zf-B box' 1 CYS 22 22 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 22 CYS SG . . . . ZN 11328 1
6 coordination single . 1 'zf-B box' 1 CYS 25 25 SG . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 25 CYS SG . . . . ZN 11328 1
7 coordination single . 1 'zf-B box' 1 HIS 39 39 NE2 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 39 HIS NE2 . . . . ZN 11328 1
8 coordination single . 1 'zf-B box' 1 HIS 47 47 ND1 . 3 'ZINC ION no.2' 2 ZN 1 1 ZN . . 47 HIS ND1 . . . . ZN 11328 1
stop_
loop_
_Entity_deleted_atom.ID
_Entity_deleted_atom.Entity_atom_list_ID
_Entity_deleted_atom.Entity_assembly_ID
_Entity_deleted_atom.Entity_ID
_Entity_deleted_atom.Comp_ID
_Entity_deleted_atom.Comp_index_ID
_Entity_deleted_atom.Seq_ID
_Entity_deleted_atom.Atom_ID
_Entity_deleted_atom.Auth_entity_assembly_ID
_Entity_deleted_atom.Auth_seq_ID
_Entity_deleted_atom.Auth_comp_ID
_Entity_deleted_atom.Auth_atom_ID
_Entity_deleted_atom.Entry_ID
_Entity_deleted_atom.Assembly_ID
. . 1 1 HIS 39 39 HE2 . 39 HIS HE2 11328 1
. . 1 1 HIS 47 47 HD1 . 47 HIS HD1 11328 1
. . 1 1 CYS 22 22 HG . 22 CYS HG 11328 1
. . 1 1 CYS 25 25 HG . 25 CYS HG 11328 1
. . 1 1 CYS 31 31 HG . 31 CYS HG 11328 1
. . 1 1 CYS 34 34 HG . 34 CYS HG 11328 1
. . 1 1 CYS 11 11 HG . 11 CYS HG 11328 1
. . 1 1 CYS 14 14 HG . 14 CYS HG 11328 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 2d8v . . . . . . 11328 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 11328
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name 'zf-B box'
_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
;
GSSGSSGLPWCCICNEDATL
RCAGCDGDLYCARCFREGHD
NFDLKEHQTSPYHPRRPCQE
HSGPSSG
;
_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 67
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'free and other bound'
_Entity.Src_method .
_Entity.Parent_entity_ID .
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date 2015-11-26
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 2D8V . "Solution Structure Of The B-Box Domain Of The Zinc Finger Fyve Domain-Containing Protein 19 From Mus Musculus" . . . . . 100.00 67 100.00 100.00 2.17e-40 . . . . 11328 1
2 no DBJ BAB23993 . "unnamed protein product [Mus musculus]" . . . . . 80.60 389 100.00 100.00 7.46e-33 . . . . 11328 1
3 no GB AAH18420 . "Zinc finger, FYVE domain containing 19 [Mus musculus]" . . . . . 80.60 389 100.00 100.00 6.74e-33 . . . . 11328 1
4 no GB EDL27942 . "zinc finger, FYVE domain containing 19, isoform CRA_a, partial [Mus musculus]" . . . . . 80.60 399 100.00 100.00 7.06e-33 . . . . 11328 1
5 no GB EDL27943 . "zinc finger, FYVE domain containing 19, isoform CRA_b [Mus musculus]" . . . . . 80.60 251 100.00 100.00 1.02e-33 . . . . 11328 1
6 no REF NP_082330 . "abscission/NoCut checkpoint regulator isoform 1 [Mus musculus]" . . . . . 80.60 389 100.00 100.00 7.85e-33 . . . . 11328 1
7 no REF XP_005603199 . "PREDICTED: zinc finger FYVE domain-containing protein 19 [Equus caballus]" . . . . . 70.15 390 97.87 97.87 5.51e-26 . . . . 11328 1
8 no REF XP_006500266 . "PREDICTED: abscission/NoCut checkpoint regulator isoform X1 [Mus musculus]" . . . . . 80.60 396 100.00 100.00 7.60e-33 . . . . 11328 1
9 no REF XP_006500267 . "PREDICTED: abscission/NoCut checkpoint regulator isoform X3 [Mus musculus]" . . . . . 80.60 394 100.00 100.00 8.50e-33 . . . . 11328 1
10 no REF XP_006500268 . "PREDICTED: abscission/NoCut checkpoint regulator isoform X4 [Mus musculus]" . . . . . 80.60 390 100.00 100.00 7.69e-33 . . . . 11328 1
11 no SP Q9DAZ9 . "RecName: Full=Abscission/NoCut checkpoint regulator; Short=ANCHR; AltName: Full=Zinc finger FYVE domain-containing protein 19" . . . . . 80.60 389 100.00 100.00 7.85e-33 . . . . 11328 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
'zf-B box' . 11328 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 . GLY . 11328 1
2 . SER . 11328 1
3 . SER . 11328 1
4 . GLY . 11328 1
5 . SER . 11328 1
6 . SER . 11328 1
7 . GLY . 11328 1
8 . LEU . 11328 1
9 . PRO . 11328 1
10 . TRP . 11328 1
11 . CYS . 11328 1
12 . CYS . 11328 1
13 . ILE . 11328 1
14 . CYS . 11328 1
15 . ASN . 11328 1
16 . GLU . 11328 1
17 . ASP . 11328 1
18 . ALA . 11328 1
19 . THR . 11328 1
20 . LEU . 11328 1
21 . ARG . 11328 1
22 . CYS . 11328 1
23 . ALA . 11328 1
24 . GLY . 11328 1
25 . CYS . 11328 1
26 . ASP . 11328 1
27 . GLY . 11328 1
28 . ASP . 11328 1
29 . LEU . 11328 1
30 . TYR . 11328 1
31 . CYS . 11328 1
32 . ALA . 11328 1
33 . ARG . 11328 1
34 . CYS . 11328 1
35 . PHE . 11328 1
36 . ARG . 11328 1
37 . GLU . 11328 1
38 . GLY . 11328 1
39 . HIS . 11328 1
40 . ASP . 11328 1
41 . ASN . 11328 1
42 . PHE . 11328 1
43 . ASP . 11328 1
44 . LEU . 11328 1
45 . LYS . 11328 1
46 . GLU . 11328 1
47 . HIS . 11328 1
48 . GLN . 11328 1
49 . THR . 11328 1
50 . SER . 11328 1
51 . PRO . 11328 1
52 . TYR . 11328 1
53 . HIS . 11328 1
54 . PRO . 11328 1
55 . ARG . 11328 1
56 . ARG . 11328 1
57 . PRO . 11328 1
58 . CYS . 11328 1
59 . GLN . 11328 1
60 . GLU . 11328 1
61 . HIS . 11328 1
62 . SER . 11328 1
63 . GLY . 11328 1
64 . PRO . 11328 1
65 . SER . 11328 1
66 . SER . 11328 1
67 . GLY . 11328 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
. GLY 1 1 11328 1
. SER 2 2 11328 1
. SER 3 3 11328 1
. GLY 4 4 11328 1
. SER 5 5 11328 1
. SER 6 6 11328 1
. GLY 7 7 11328 1
. LEU 8 8 11328 1
. PRO 9 9 11328 1
. TRP 10 10 11328 1
. CYS 11 11 11328 1
. CYS 12 12 11328 1
. ILE 13 13 11328 1
. CYS 14 14 11328 1
. ASN 15 15 11328 1
. GLU 16 16 11328 1
. ASP 17 17 11328 1
. ALA 18 18 11328 1
. THR 19 19 11328 1
. LEU 20 20 11328 1
. ARG 21 21 11328 1
. CYS 22 22 11328 1
. ALA 23 23 11328 1
. GLY 24 24 11328 1
. CYS 25 25 11328 1
. ASP 26 26 11328 1
. GLY 27 27 11328 1
. ASP 28 28 11328 1
. LEU 29 29 11328 1
. TYR 30 30 11328 1
. CYS 31 31 11328 1
. ALA 32 32 11328 1
. ARG 33 33 11328 1
. CYS 34 34 11328 1
. PHE 35 35 11328 1
. ARG 36 36 11328 1
. GLU 37 37 11328 1
. GLY 38 38 11328 1
. HIS 39 39 11328 1
. ASP 40 40 11328 1
. ASN 41 41 11328 1
. PHE 42 42 11328 1
. ASP 43 43 11328 1
. LEU 44 44 11328 1
. LYS 45 45 11328 1
. GLU 46 46 11328 1
. HIS 47 47 11328 1
. GLN 48 48 11328 1
. THR 49 49 11328 1
. SER 50 50 11328 1
. PRO 51 51 11328 1
. TYR 52 52 11328 1
. HIS 53 53 11328 1
. PRO 54 54 11328 1
. ARG 55 55 11328 1
. ARG 56 56 11328 1
. PRO 57 57 11328 1
. CYS 58 58 11328 1
. GLN 59 59 11328 1
. GLU 60 60 11328 1
. HIS 61 61 11328 1
. SER 62 62 11328 1
. GLY 63 63 11328 1
. PRO 64 64 11328 1
. SER 65 65 11328 1
. SER 66 66 11328 1
. GLY 67 67 11328 1
stop_
save_
save_ZN
_Entity.Sf_category entity
_Entity.Sf_framecode ZN
_Entity.Entry_ID 11328
_Entity.ID 2
_Entity.BMRB_code .
_Entity.Name ZN
_Entity.Type non-polymer
_Entity.Polymer_common_type .
_Entity.Polymer_type .
_Entity.Polymer_type_details .
_Entity.Polymer_strand_ID .
_Entity.Polymer_seq_one_letter_code_can .
_Entity.Polymer_seq_one_letter_code .
_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 .
_Entity.Nstd_chirality no
_Entity.Nstd_linkage no
_Entity.Nonpolymer_comp_ID ZN
_Entity.Nonpolymer_comp_label $chem_comp_ZN
_Entity.Number_of_monomers .
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic .
_Entity.Thiol_state .
_Entity.Src_method .
_Entity.Parent_entity_ID 2
_Entity.Fragment .
_Entity.Mutation .
_Entity.EC_number .
_Entity.Calc_isoelectric_point .
_Entity.Formula_weight .
_Entity.Formula_weight_exptl .
_Entity.Formula_weight_exptl_meth .
_Entity.Details .
_Entity.DB_query_date .
_Entity.DB_query_revised_last_date .
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 . ZN . 11328 2
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 11328
_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_1 . 10090 organism . 'Mus musculus' 'house mouse' . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 11328 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 11328
_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_1 . 'cell free synthesis' 'E. coli - cell free' 'E. coli' . 562 Escherichia coli . . . . . . . . . . . . . plasmid . . P050322-02 . . . . . . 11328 1
stop_
save_
#################################
# Polymer residues and ligands #
#################################
save_chem_comp_ZN
_Chem_comp.Sf_category chem_comp
_Chem_comp.Sf_framecode chem_comp_ZN
_Chem_comp.Entry_ID 11328
_Chem_comp.ID ZN
_Chem_comp.Provenance .
_Chem_comp.Name 'ZINC ION'
_Chem_comp.Type non-polymer
_Chem_comp.BMRB_code .
_Chem_comp.PDB_code ZN
_Chem_comp.Ambiguous_flag no
_Chem_comp.Initial_date 1999-07-08
_Chem_comp.Modified_date 2008-12-05
_Chem_comp.Release_status REL
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code ZN
_Chem_comp.Number_atoms_all .
_Chem_comp.Number_atoms_nh .
_Chem_comp.PubChem_code .
_Chem_comp.Subcomponent_list .
_Chem_comp.InChI_code .
_Chem_comp.Mon_nstd_flag .
_Chem_comp.Mon_nstd_class .
_Chem_comp.Mon_nstd_details .
_Chem_comp.Mon_nstd_parent .
_Chem_comp.Mon_nstd_parent_comp_ID .
_Chem_comp.Std_deriv_one_letter_code .
_Chem_comp.Std_deriv_three_letter_code .
_Chem_comp.Std_deriv_BMRB_code .
_Chem_comp.Std_deriv_PDB_code .
_Chem_comp.Std_deriv_chem_comp_name .
_Chem_comp.Synonyms .
_Chem_comp.Formal_charge 2
_Chem_comp.Paramagnetic .
_Chem_comp.Aromatic no
_Chem_comp.Formula Zn
_Chem_comp.Formula_weight 65.409
_Chem_comp.Formula_mono_iso_wt_nat .
_Chem_comp.Formula_mono_iso_wt_13C .
_Chem_comp.Formula_mono_iso_wt_15N .
_Chem_comp.Formula_mono_iso_wt_13C_15N .
_Chem_comp.Image_file_name .
_Chem_comp.Image_file_format .
_Chem_comp.Topo_file_name .
_Chem_comp.Topo_file_format .
_Chem_comp.Struct_file_name .
_Chem_comp.Struct_file_format .
_Chem_comp.Stereochem_param_file_name .
_Chem_comp.Stereochem_param_file_format .
_Chem_comp.Model_details .
_Chem_comp.Model_erf .
_Chem_comp.Model_source .
_Chem_comp.Model_coordinates_details .
_Chem_comp.Model_coordinates_missing_flag no
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag no
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site RCSB
_Chem_comp.Vendor .
_Chem_comp.Vendor_product_code .
_Chem_comp.Details
;
Information obtained from PDB's Chemical Component Dictionary
at http://wwpdb-remediation.rutgers.edu/downloads.html
Downloaded on Tue Jun 9 16:52:42 2009
;
_Chem_comp.DB_query_date .
_Chem_comp.DB_last_query_revised_last_date .
loop_
_Chem_comp_descriptor.Descriptor
_Chem_comp_descriptor.Type
_Chem_comp_descriptor.Program
_Chem_comp_descriptor.Program_version
_Chem_comp_descriptor.Entry_ID
_Chem_comp_descriptor.Comp_ID
InChI=1/Zn/q+2 InChI InChI 1.02b 11328 ZN
PTFCDOFLOPIGGS-UHFFFAOYAK InChIKey InChI 1.02b 11328 ZN
[Zn++] SMILES CACTVS 3.341 11328 ZN
[Zn++] SMILES_CANONICAL CACTVS 3.341 11328 ZN
[Zn+2] SMILES ACDLabs 10.04 11328 ZN
[Zn+2] SMILES 'OpenEye OEToolkits' 1.5.0 11328 ZN
[Zn+2] SMILES_CANONICAL 'OpenEye OEToolkits' 1.5.0 11328 ZN
stop_
loop_
_Chem_comp_identifier.Identifier
_Chem_comp_identifier.Type
_Chem_comp_identifier.Program
_Chem_comp_identifier.Program_version
_Chem_comp_identifier.Entry_ID
_Chem_comp_identifier.Comp_ID
zinc 'SYSTEMATIC NAME' ACDLabs 10.04 11328 ZN
'zinc(+2) cation' 'SYSTEMATIC NAME' 'OpenEye OEToolkits' 1.5.0 11328 ZN
stop_
loop_
_Chem_comp_atom.Atom_ID
_Chem_comp_atom.BMRB_code
_Chem_comp_atom.PDB_atom_ID
_Chem_comp_atom.Alt_atom_ID
_Chem_comp_atom.Auth_atom_ID
_Chem_comp_atom.Type_symbol
_Chem_comp_atom.Isotope_number
_Chem_comp_atom.Chirality
_Chem_comp_atom.Stereo_config
_Chem_comp_atom.Charge
_Chem_comp_atom.Partial_charge
_Chem_comp_atom.Oxidation_number
_Chem_comp_atom.Unpaired_electron_number
_Chem_comp_atom.Align
_Chem_comp_atom.Aromatic_flag
_Chem_comp_atom.Leaving_atom_flag
_Chem_comp_atom.Substruct_code
_Chem_comp_atom.Ionizable
_Chem_comp_atom.Drawing_2D_coord_x
_Chem_comp_atom.Drawing_2D_coord_y
_Chem_comp_atom.Model_Cartn_x
_Chem_comp_atom.Model_Cartn_x_esd
_Chem_comp_atom.Model_Cartn_y
_Chem_comp_atom.Model_Cartn_y_esd
_Chem_comp_atom.Model_Cartn_z
_Chem_comp_atom.Model_Cartn_z_esd
_Chem_comp_atom.Model_Cartn_x_ideal
_Chem_comp_atom.Model_Cartn_y_ideal
_Chem_comp_atom.Model_Cartn_z_ideal
_Chem_comp_atom.PDBX_ordinal
_Chem_comp_atom.Details
_Chem_comp_atom.Entry_ID
_Chem_comp_atom.Comp_ID
ZN . ZN . . ZN . . N 2 . . . . no no . . . . 0.000 . 0.000 . 0.000 . 0.000 0.000 0.000 1 . 11328 ZN
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 11328
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details
;
1.08mM zf-B_box U-13C, {15N;} 20mM {d-Tris-HCl(pH7.0);} 100mM {NaCl;}
1mM {d-DTT;} 0.02% {NaN3;} 0.05mM {ZNCl2;} 1.0mM {IDA;} 90% H2O, 10% D2O
;
_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 zf-B_box '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.08 . . mM . . . . 11328 1
2 d-Tris-HCl 'natural abundance' . . . . . buffer 20 . . mM . . . . 11328 1
3 NaCl 'natural abundance' . . . . . salt 100 . . mM . . . . 11328 1
4 d-DTT 'natural abundance' . . . . . salt 1 . . mM . . . . 11328 1
5 NaN3 'natural abundance' . . . . . salt 0.02 . . % . . . . 11328 1
6 ZnCl2 'natural abundance' . . . . . salt 0.05 . . mM . . . . 11328 1
7 IDA 'natural abundance' . . . . . salt 1.0 . . mM . . . . 11328 1
8 H2O . . . . . . solvent 90 . . % . . . . 11328 1
9 D2O . . . . . . solvent 10 . . % . . . . 11328 1
stop_
save_
#######################
# Sample conditions #
#######################
save_condition_1
_Sample_condition_list.Sf_category sample_conditions
_Sample_condition_list.Sf_framecode condition_1
_Sample_condition_list.Entry_ID 11328
_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
'ionic strength' 120 0.1 mM 11328 1
pH 7.0 0.05 pH 11328 1
pressure 1 0.001 atm 11328 1
temperature 296 0.1 K 11328 1
stop_
save_
############################
# Computer software used #
############################
save_XWINNMR
_Software.Sf_category software
_Software.Sf_framecode XWINNMR
_Software.Entry_ID 11328
_Software.ID 1
_Software.Name xwinnmr
_Software.Version 3.5
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
Bruker . . 11328 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 11328 1
stop_
save_
save_NMRPipe
_Software.Sf_category software
_Software.Sf_framecode NMRPipe
_Software.Entry_ID 11328
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 20031121
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, F.' . . 11328 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 11328 2
stop_
save_
save_NMRView
_Software.Sf_category software
_Software.Sf_framecode NMRView
_Software.Entry_ID 11328
_Software.ID 3
_Software.Name NMRView
_Software.Version 5.0.4
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Johnson, B. A.' . . 11328 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11328 3
stop_
save_
save_Kujira
_Software.Sf_category software
_Software.Sf_framecode Kujira
_Software.Entry_ID 11328
_Software.ID 4
_Software.Name Kujira
_Software.Version 0.9321
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Kobayashi, N.' . . 11328 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 11328 4
stop_
save_
save_CYANA
_Software.Sf_category software
_Software.Sf_framecode CYANA
_Software.Entry_ID 11328
_Software.ID 5
_Software.Name CYANA
_Software.Version 2.0.17
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Guntert, P.' . . 11328 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 11328 5
'structure solution' 11328 5
stop_
save_
#########################
# Experimental detail #
#########################
##################################
# NMR Spectrometer definitions #
##################################
save_spectrometer_1
_NMR_spectrometer.Sf_category NMR_spectrometer
_NMR_spectrometer.Sf_framecode spectrometer_1
_NMR_spectrometer.Entry_ID 11328
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AVANCE
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 900
save_
save_NMR_spectrometer_list
_NMR_spectrometer_list.Sf_category NMR_spectrometer_list
_NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list
_NMR_spectrometer_list.Entry_ID 11328
_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 spectrometer_1 Bruker AVANCE . 900 . . . 11328 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 11328
_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 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11328 1
2 '3D 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 11328 1
stop_
save_
####################
# NMR parameters #
####################
##############################
# Assigned chemical shifts #
##############################
################################
# Chemical shift referencing #
################################
save_reference_1
_Chem_shift_reference.Sf_category chem_shift_reference
_Chem_shift_reference.Sf_framecode reference_1
_Chem_shift_reference.Entry_ID 11328
_Chem_shift_reference.ID 1
_Chem_shift_reference.Details
;
Chemical shift reference of 1H was based on the proton of water (4.784ppm at
298K) and then those of 15N and 13C were calculated based on their gyromagnetic
ratios.
;
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
C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 11328 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 11328 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 11328 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_chemical_shift_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_1
_Assigned_chem_shift_list.Entry_ID 11328
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $reference_1
_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 .
_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 '3D 15N-separated NOESY' 1 $sample_1 isotropic 11328 1
2 '3D 13C-separated NOESY' 1 $sample_1 isotropic 11328 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $XWINNMR . . 11328 1
2 $NMRPipe . . 11328 1
3 $NMRView . . 11328 1
4 $Kujira . . 11328 1
5 $CYANA . . 11328 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 7 7 GLY H H 1 8.317 0.030 . 1 . . . . 7 GLY H . 11328 1
2 . 1 1 7 7 GLY HA2 H 1 3.906 0.030 . 2 . . . . 7 GLY HA2 . 11328 1
3 . 1 1 7 7 GLY HA3 H 1 3.857 0.030 . 2 . . . . 7 GLY HA3 . 11328 1
4 . 1 1 7 7 GLY CA C 13 45.349 0.300 . 1 . . . . 7 GLY CA . 11328 1
5 . 1 1 7 7 GLY N N 15 110.501 0.300 . 1 . . . . 7 GLY N . 11328 1
6 . 1 1 8 8 LEU H H 1 7.869 0.030 . 1 . . . . 8 LEU H . 11328 1
7 . 1 1 8 8 LEU HA H 1 4.301 0.030 . 1 . . . . 8 LEU HA . 11328 1
8 . 1 1 8 8 LEU HB2 H 1 1.344 0.030 . 2 . . . . 8 LEU HB2 . 11328 1
9 . 1 1 8 8 LEU HB3 H 1 0.763 0.030 . 2 . . . . 8 LEU HB3 . 11328 1
10 . 1 1 8 8 LEU HD11 H 1 0.805 0.030 . 1 . . . . 8 LEU HD1 . 11328 1
11 . 1 1 8 8 LEU HD12 H 1 0.805 0.030 . 1 . . . . 8 LEU HD1 . 11328 1
12 . 1 1 8 8 LEU HD13 H 1 0.805 0.030 . 1 . . . . 8 LEU HD1 . 11328 1
13 . 1 1 8 8 LEU HD21 H 1 0.740 0.030 . 1 . . . . 8 LEU HD2 . 11328 1
14 . 1 1 8 8 LEU HD22 H 1 0.740 0.030 . 1 . . . . 8 LEU HD2 . 11328 1
15 . 1 1 8 8 LEU HD23 H 1 0.740 0.030 . 1 . . . . 8 LEU HD2 . 11328 1
16 . 1 1 8 8 LEU HG H 1 1.448 0.030 . 1 . . . . 8 LEU HG . 11328 1
17 . 1 1 8 8 LEU C C 13 176.614 0.300 . 1 . . . . 8 LEU C . 11328 1
18 . 1 1 8 8 LEU CA C 13 52.390 0.300 . 1 . . . . 8 LEU CA . 11328 1
19 . 1 1 8 8 LEU CB C 13 40.900 0.300 . 1 . . . . 8 LEU CB . 11328 1
20 . 1 1 8 8 LEU CD1 C 13 25.156 0.300 . 2 . . . . 8 LEU CD1 . 11328 1
21 . 1 1 8 8 LEU CD2 C 13 22.716 0.300 . 2 . . . . 8 LEU CD2 . 11328 1
22 . 1 1 8 8 LEU CG C 13 26.959 0.300 . 1 . . . . 8 LEU CG . 11328 1
23 . 1 1 8 8 LEU N N 15 122.372 0.300 . 1 . . . . 8 LEU N . 11328 1
24 . 1 1 9 9 PRO HA H 1 4.388 0.030 . 1 . . . . 9 PRO HA . 11328 1
25 . 1 1 9 9 PRO HB2 H 1 1.777 0.030 . 2 . . . . 9 PRO HB2 . 11328 1
26 . 1 1 9 9 PRO HB3 H 1 2.059 0.030 . 2 . . . . 9 PRO HB3 . 11328 1
27 . 1 1 9 9 PRO HD2 H 1 3.370 0.030 . 2 . . . . 9 PRO HD2 . 11328 1
28 . 1 1 9 9 PRO HD3 H 1 2.673 0.030 . 2 . . . . 9 PRO HD3 . 11328 1
29 . 1 1 9 9 PRO HG2 H 1 1.125 0.030 . 2 . . . . 9 PRO HG2 . 11328 1
30 . 1 1 9 9 PRO HG3 H 1 1.691 0.030 . 2 . . . . 9 PRO HG3 . 11328 1
31 . 1 1 9 9 PRO C C 13 174.952 0.300 . 1 . . . . 9 PRO C . 11328 1
32 . 1 1 9 9 PRO CA C 13 63.256 0.300 . 1 . . . . 9 PRO CA . 11328 1
33 . 1 1 9 9 PRO CB C 13 30.262 0.300 . 1 . . . . 9 PRO CB . 11328 1
34 . 1 1 9 9 PRO CD C 13 49.562 0.300 . 1 . . . . 9 PRO CD . 11328 1
35 . 1 1 9 9 PRO CG C 13 26.434 0.300 . 1 . . . . 9 PRO CG . 11328 1
36 . 1 1 10 10 TRP H H 1 7.103 0.030 . 1 . . . . 10 TRP H . 11328 1
37 . 1 1 10 10 TRP HA H 1 5.015 0.030 . 1 . . . . 10 TRP HA . 11328 1
38 . 1 1 10 10 TRP HB2 H 1 2.894 0.030 . 2 . . . . 10 TRP HB2 . 11328 1
39 . 1 1 10 10 TRP HB3 H 1 3.171 0.030 . 2 . . . . 10 TRP HB3 . 11328 1
40 . 1 1 10 10 TRP HD1 H 1 6.949 0.030 . 1 . . . . 10 TRP HD1 . 11328 1
41 . 1 1 10 10 TRP HE1 H 1 10.048 0.030 . 1 . . . . 10 TRP HE1 . 11328 1
42 . 1 1 10 10 TRP HE3 H 1 7.443 0.030 . 1 . . . . 10 TRP HE3 . 11328 1
43 . 1 1 10 10 TRP HH2 H 1 7.181 0.030 . 1 . . . . 10 TRP HH2 . 11328 1
44 . 1 1 10 10 TRP HZ2 H 1 7.408 0.030 . 1 . . . . 10 TRP HZ2 . 11328 1
45 . 1 1 10 10 TRP HZ3 H 1 7.123 0.030 . 1 . . . . 10 TRP HZ3 . 11328 1
46 . 1 1 10 10 TRP C C 13 174.539 0.300 . 1 . . . . 10 TRP C . 11328 1
47 . 1 1 10 10 TRP CA C 13 54.194 0.300 . 1 . . . . 10 TRP CA . 11328 1
48 . 1 1 10 10 TRP CB C 13 31.389 0.300 . 1 . . . . 10 TRP CB . 11328 1
49 . 1 1 10 10 TRP CD1 C 13 125.502 0.300 . 1 . . . . 10 TRP CD1 . 11328 1
50 . 1 1 10 10 TRP CE3 C 13 121.141 0.300 . 1 . . . . 10 TRP CE3 . 11328 1
51 . 1 1 10 10 TRP CH2 C 13 124.584 0.300 . 1 . . . . 10 TRP CH2 . 11328 1
52 . 1 1 10 10 TRP CZ2 C 13 114.588 0.300 . 1 . . . . 10 TRP CZ2 . 11328 1
53 . 1 1 10 10 TRP CZ3 C 13 121.830 0.300 . 1 . . . . 10 TRP CZ3 . 11328 1
54 . 1 1 10 10 TRP N N 15 119.826 0.300 . 1 . . . . 10 TRP N . 11328 1
55 . 1 1 10 10 TRP NE1 N 15 128.749 0.300 . 1 . . . . 10 TRP NE1 . 11328 1
56 . 1 1 11 11 CYS H H 1 9.433 0.030 . 1 . . . . 11 CYS H . 11328 1
57 . 1 1 11 11 CYS HA H 1 3.739 0.030 . 1 . . . . 11 CYS HA . 11328 1
58 . 1 1 11 11 CYS HB2 H 1 2.647 0.030 . 2 . . . . 11 CYS HB2 . 11328 1
59 . 1 1 11 11 CYS HB3 H 1 3.217 0.030 . 2 . . . . 11 CYS HB3 . 11328 1
60 . 1 1 11 11 CYS C C 13 177.331 0.300 . 1 . . . . 11 CYS C . 11328 1
61 . 1 1 11 11 CYS CA C 13 60.130 0.300 . 1 . . . . 11 CYS CA . 11328 1
62 . 1 1 11 11 CYS CB C 13 30.531 0.300 . 1 . . . . 11 CYS CB . 11328 1
63 . 1 1 11 11 CYS N N 15 122.118 0.300 . 1 . . . . 11 CYS N . 11328 1
64 . 1 1 12 12 CYS H H 1 9.008 0.030 . 1 . . . . 12 CYS H . 11328 1
65 . 1 1 12 12 CYS HA H 1 4.399 0.030 . 1 . . . . 12 CYS HA . 11328 1
66 . 1 1 12 12 CYS HB2 H 1 2.863 0.030 . 2 . . . . 12 CYS HB2 . 11328 1
67 . 1 1 12 12 CYS HB3 H 1 3.174 0.030 . 2 . . . . 12 CYS HB3 . 11328 1
68 . 1 1 12 12 CYS C C 13 174.112 0.300 . 1 . . . . 12 CYS C . 11328 1
69 . 1 1 12 12 CYS CA C 13 60.255 0.300 . 1 . . . . 12 CYS CA . 11328 1
70 . 1 1 12 12 CYS CB C 13 27.576 0.300 . 1 . . . . 12 CYS CB . 11328 1
71 . 1 1 12 12 CYS N N 15 128.164 0.300 . 1 . . . . 12 CYS N . 11328 1
72 . 1 1 13 13 ILE H H 1 9.029 0.030 . 1 . . . . 13 ILE H . 11328 1
73 . 1 1 13 13 ILE HA H 1 4.335 0.030 . 1 . . . . 13 ILE HA . 11328 1
74 . 1 1 13 13 ILE HB H 1 2.874 0.030 . 1 . . . . 13 ILE HB . 11328 1
75 . 1 1 13 13 ILE HD11 H 1 0.862 0.030 . 1 . . . . 13 ILE HD1 . 11328 1
76 . 1 1 13 13 ILE HD12 H 1 0.862 0.030 . 1 . . . . 13 ILE HD1 . 11328 1
77 . 1 1 13 13 ILE HD13 H 1 0.862 0.030 . 1 . . . . 13 ILE HD1 . 11328 1
78 . 1 1 13 13 ILE HG12 H 1 1.763 0.030 . 2 . . . . 13 ILE HG12 . 11328 1
79 . 1 1 13 13 ILE HG13 H 1 1.834 0.030 . 2 . . . . 13 ILE HG13 . 11328 1
80 . 1 1 13 13 ILE HG21 H 1 0.941 0.030 . 1 . . . . 13 ILE HG2 . 11328 1
81 . 1 1 13 13 ILE HG22 H 1 0.941 0.030 . 1 . . . . 13 ILE HG2 . 11328 1
82 . 1 1 13 13 ILE HG23 H 1 0.941 0.030 . 1 . . . . 13 ILE HG2 . 11328 1
83 . 1 1 13 13 ILE C C 13 177.539 0.300 . 1 . . . . 13 ILE C . 11328 1
84 . 1 1 13 13 ILE CA C 13 61.972 0.300 . 1 . . . . 13 ILE CA . 11328 1
85 . 1 1 13 13 ILE CB C 13 36.527 0.300 . 1 . . . . 13 ILE CB . 11328 1
86 . 1 1 13 13 ILE CD1 C 13 10.293 0.300 . 1 . . . . 13 ILE CD1 . 11328 1
87 . 1 1 13 13 ILE CG1 C 13 27.428 0.300 . 1 . . . . 13 ILE CG1 . 11328 1
88 . 1 1 13 13 ILE CG2 C 13 17.752 0.300 . 1 . . . . 13 ILE CG2 . 11328 1
89 . 1 1 13 13 ILE N N 15 126.802 0.300 . 1 . . . . 13 ILE N . 11328 1
90 . 1 1 14 14 CYS H H 1 8.177 0.030 . 1 . . . . 14 CYS H . 11328 1
91 . 1 1 14 14 CYS HA H 1 4.844 0.030 . 1 . . . . 14 CYS HA . 11328 1
92 . 1 1 14 14 CYS HB2 H 1 2.584 0.030 . 2 . . . . 14 CYS HB2 . 11328 1
93 . 1 1 14 14 CYS HB3 H 1 3.255 0.030 . 2 . . . . 14 CYS HB3 . 11328 1
94 . 1 1 14 14 CYS C C 13 176.305 0.300 . 1 . . . . 14 CYS C . 11328 1
95 . 1 1 14 14 CYS CA C 13 59.436 0.300 . 1 . . . . 14 CYS CA . 11328 1
96 . 1 1 14 14 CYS CB C 13 33.155 0.300 . 1 . . . . 14 CYS CB . 11328 1
97 . 1 1 14 14 CYS N N 15 118.675 0.300 . 1 . . . . 14 CYS N . 11328 1
98 . 1 1 15 15 ASN H H 1 7.830 0.030 . 1 . . . . 15 ASN H . 11328 1
99 . 1 1 15 15 ASN HA H 1 4.376 0.030 . 1 . . . . 15 ASN HA . 11328 1
100 . 1 1 15 15 ASN HB2 H 1 2.418 0.030 . 2 . . . . 15 ASN HB2 . 11328 1
101 . 1 1 15 15 ASN HB3 H 1 2.725 0.030 . 2 . . . . 15 ASN HB3 . 11328 1
102 . 1 1 15 15 ASN HD21 H 1 6.560 0.030 . 2 . . . . 15 ASN HD21 . 11328 1
103 . 1 1 15 15 ASN HD22 H 1 6.998 0.030 . 2 . . . . 15 ASN HD22 . 11328 1
104 . 1 1 15 15 ASN C C 13 173.859 0.300 . 1 . . . . 15 ASN C . 11328 1
105 . 1 1 15 15 ASN CA C 13 55.364 0.300 . 1 . . . . 15 ASN CA . 11328 1
106 . 1 1 15 15 ASN CB C 13 37.990 0.300 . 1 . . . . 15 ASN CB . 11328 1
107 . 1 1 15 15 ASN N N 15 116.679 0.300 . 1 . . . . 15 ASN N . 11328 1
108 . 1 1 15 15 ASN ND2 N 15 110.954 0.300 . 1 . . . . 15 ASN ND2 . 11328 1
109 . 1 1 16 16 GLU H H 1 8.727 0.030 . 1 . . . . 16 GLU H . 11328 1
110 . 1 1 16 16 GLU HA H 1 4.454 0.030 . 1 . . . . 16 GLU HA . 11328 1
111 . 1 1 16 16 GLU HB2 H 1 2.260 0.030 . 2 . . . . 16 GLU HB2 . 11328 1
112 . 1 1 16 16 GLU HB3 H 1 2.147 0.030 . 2 . . . . 16 GLU HB3 . 11328 1
113 . 1 1 16 16 GLU HG2 H 1 2.534 0.030 . 2 . . . . 16 GLU HG2 . 11328 1
114 . 1 1 16 16 GLU HG3 H 1 2.285 0.030 . 2 . . . . 16 GLU HG3 . 11328 1
115 . 1 1 16 16 GLU C C 13 175.167 0.300 . 1 . . . . 16 GLU C . 11328 1
116 . 1 1 16 16 GLU CA C 13 56.366 0.300 . 1 . . . . 16 GLU CA . 11328 1
117 . 1 1 16 16 GLU CB C 13 29.682 0.300 . 1 . . . . 16 GLU CB . 11328 1
118 . 1 1 16 16 GLU CG C 13 37.457 0.300 . 1 . . . . 16 GLU CG . 11328 1
119 . 1 1 16 16 GLU N N 15 120.249 0.300 . 1 . . . . 16 GLU N . 11328 1
120 . 1 1 17 17 ASP H H 1 8.429 0.030 . 1 . . . . 17 ASP H . 11328 1
121 . 1 1 17 17 ASP HA H 1 4.568 0.030 . 1 . . . . 17 ASP HA . 11328 1
122 . 1 1 17 17 ASP HB2 H 1 2.662 0.030 . 2 . . . . 17 ASP HB2 . 11328 1
123 . 1 1 17 17 ASP HB3 H 1 2.587 0.030 . 2 . . . . 17 ASP HB3 . 11328 1
124 . 1 1 17 17 ASP C C 13 175.794 0.300 . 1 . . . . 17 ASP C . 11328 1
125 . 1 1 17 17 ASP CA C 13 56.627 0.300 . 1 . . . . 17 ASP CA . 11328 1
126 . 1 1 17 17 ASP CB C 13 40.649 0.300 . 1 . . . . 17 ASP CB . 11328 1
127 . 1 1 17 17 ASP N N 15 118.895 0.300 . 1 . . . . 17 ASP N . 11328 1
128 . 1 1 18 18 ALA H H 1 8.439 0.030 . 1 . . . . 18 ALA H . 11328 1
129 . 1 1 18 18 ALA HA H 1 4.079 0.030 . 1 . . . . 18 ALA HA . 11328 1
130 . 1 1 18 18 ALA HB1 H 1 1.031 0.030 . 1 . . . . 18 ALA HB . 11328 1
131 . 1 1 18 18 ALA HB2 H 1 1.031 0.030 . 1 . . . . 18 ALA HB . 11328 1
132 . 1 1 18 18 ALA HB3 H 1 1.031 0.030 . 1 . . . . 18 ALA HB . 11328 1
133 . 1 1 18 18 ALA C C 13 177.002 0.300 . 1 . . . . 18 ALA C . 11328 1
134 . 1 1 18 18 ALA CA C 13 51.521 0.300 . 1 . . . . 18 ALA CA . 11328 1
135 . 1 1 18 18 ALA CB C 13 21.868 0.300 . 1 . . . . 18 ALA CB . 11328 1
136 . 1 1 18 18 ALA N N 15 122.830 0.300 . 1 . . . . 18 ALA N . 11328 1
137 . 1 1 19 19 THR H H 1 8.274 0.030 . 1 . . . . 19 THR H . 11328 1
138 . 1 1 19 19 THR HA H 1 4.990 0.030 . 1 . . . . 19 THR HA . 11328 1
139 . 1 1 19 19 THR HB H 1 4.505 0.030 . 1 . . . . 19 THR HB . 11328 1
140 . 1 1 19 19 THR HG21 H 1 1.255 0.030 . 1 . . . . 19 THR HG2 . 11328 1
141 . 1 1 19 19 THR HG22 H 1 1.255 0.030 . 1 . . . . 19 THR HG2 . 11328 1
142 . 1 1 19 19 THR HG23 H 1 1.255 0.030 . 1 . . . . 19 THR HG2 . 11328 1
143 . 1 1 19 19 THR C C 13 175.510 0.300 . 1 . . . . 19 THR C . 11328 1
144 . 1 1 19 19 THR CA C 13 61.627 0.300 . 1 . . . . 19 THR CA . 11328 1
145 . 1 1 19 19 THR CB C 13 70.307 0.300 . 1 . . . . 19 THR CB . 11328 1
146 . 1 1 19 19 THR CG2 C 13 22.574 0.300 . 1 . . . . 19 THR CG2 . 11328 1
147 . 1 1 19 19 THR N N 15 106.035 0.300 . 1 . . . . 19 THR N . 11328 1
148 . 1 1 20 20 LEU H H 1 8.680 0.030 . 1 . . . . 20 LEU H . 11328 1
149 . 1 1 20 20 LEU HA H 1 5.061 0.030 . 1 . . . . 20 LEU HA . 11328 1
150 . 1 1 20 20 LEU HB2 H 1 1.112 0.030 . 2 . . . . 20 LEU HB2 . 11328 1
151 . 1 1 20 20 LEU HB3 H 1 1.510 0.030 . 2 . . . . 20 LEU HB3 . 11328 1
152 . 1 1 20 20 LEU HD11 H 1 0.370 0.030 . 1 . . . . 20 LEU HD1 . 11328 1
153 . 1 1 20 20 LEU HD12 H 1 0.370 0.030 . 1 . . . . 20 LEU HD1 . 11328 1
154 . 1 1 20 20 LEU HD13 H 1 0.370 0.030 . 1 . . . . 20 LEU HD1 . 11328 1
155 . 1 1 20 20 LEU HD21 H 1 0.484 0.030 . 1 . . . . 20 LEU HD2 . 11328 1
156 . 1 1 20 20 LEU HD22 H 1 0.484 0.030 . 1 . . . . 20 LEU HD2 . 11328 1
157 . 1 1 20 20 LEU HD23 H 1 0.484 0.030 . 1 . . . . 20 LEU HD2 . 11328 1
158 . 1 1 20 20 LEU HG H 1 1.539 0.030 . 1 . . . . 20 LEU HG . 11328 1
159 . 1 1 20 20 LEU C C 13 174.022 0.300 . 1 . . . . 20 LEU C . 11328 1
160 . 1 1 20 20 LEU CA C 13 54.523 0.300 . 1 . . . . 20 LEU CA . 11328 1
161 . 1 1 20 20 LEU CB C 13 46.928 0.300 . 1 . . . . 20 LEU CB . 11328 1
162 . 1 1 20 20 LEU CD1 C 13 25.657 0.300 . 2 . . . . 20 LEU CD1 . 11328 1
163 . 1 1 20 20 LEU CD2 C 13 24.000 0.300 . 2 . . . . 20 LEU CD2 . 11328 1
164 . 1 1 20 20 LEU CG C 13 25.551 0.300 . 1 . . . . 20 LEU CG . 11328 1
165 . 1 1 20 20 LEU N N 15 125.017 0.300 . 1 . . . . 20 LEU N . 11328 1
166 . 1 1 21 21 ARG H H 1 8.949 0.030 . 1 . . . . 21 ARG H . 11328 1
167 . 1 1 21 21 ARG HA H 1 4.862 0.030 . 1 . . . . 21 ARG HA . 11328 1
168 . 1 1 21 21 ARG HB2 H 1 1.363 0.030 . 2 . . . . 21 ARG HB2 . 11328 1
169 . 1 1 21 21 ARG HB3 H 1 1.644 0.030 . 2 . . . . 21 ARG HB3 . 11328 1
170 . 1 1 21 21 ARG HD2 H 1 3.008 0.030 . 2 . . . . 21 ARG HD2 . 11328 1
171 . 1 1 21 21 ARG HD3 H 1 3.189 0.030 . 2 . . . . 21 ARG HD3 . 11328 1
172 . 1 1 21 21 ARG HG2 H 1 1.116 0.030 . 2 . . . . 21 ARG HG2 . 11328 1
173 . 1 1 21 21 ARG HG3 H 1 1.441 0.030 . 2 . . . . 21 ARG HG3 . 11328 1
174 . 1 1 21 21 ARG C C 13 175.812 0.300 . 1 . . . . 21 ARG C . 11328 1
175 . 1 1 21 21 ARG CA C 13 54.643 0.300 . 1 . . . . 21 ARG CA . 11328 1
176 . 1 1 21 21 ARG CB C 13 32.985 0.300 . 1 . . . . 21 ARG CB . 11328 1
177 . 1 1 21 21 ARG CD C 13 43.698 0.300 . 1 . . . . 21 ARG CD . 11328 1
178 . 1 1 21 21 ARG CG C 13 27.356 0.300 . 1 . . . . 21 ARG CG . 11328 1
179 . 1 1 21 21 ARG N N 15 120.754 0.300 . 1 . . . . 21 ARG N . 11328 1
180 . 1 1 22 22 CYS H H 1 9.079 0.030 . 1 . . . . 22 CYS H . 11328 1
181 . 1 1 22 22 CYS HA H 1 4.800 0.030 . 1 . . . . 22 CYS HA . 11328 1
182 . 1 1 22 22 CYS HB2 H 1 2.739 0.030 . 2 . . . . 22 CYS HB2 . 11328 1
183 . 1 1 22 22 CYS HB3 H 1 3.442 0.030 . 2 . . . . 22 CYS HB3 . 11328 1
184 . 1 1 22 22 CYS C C 13 177.109 0.300 . 1 . . . . 22 CYS C . 11328 1
185 . 1 1 22 22 CYS CA C 13 58.710 0.300 . 1 . . . . 22 CYS CA . 11328 1
186 . 1 1 22 22 CYS CB C 13 30.812 0.300 . 1 . . . . 22 CYS CB . 11328 1
187 . 1 1 22 22 CYS N N 15 127.638 0.300 . 1 . . . . 22 CYS N . 11328 1
188 . 1 1 23 23 ALA H H 1 9.141 0.030 . 1 . . . . 23 ALA H . 11328 1
189 . 1 1 23 23 ALA HA H 1 4.162 0.030 . 1 . . . . 23 ALA HA . 11328 1
190 . 1 1 23 23 ALA HB1 H 1 1.511 0.030 . 1 . . . . 23 ALA HB . 11328 1
191 . 1 1 23 23 ALA HB2 H 1 1.511 0.030 . 1 . . . . 23 ALA HB . 11328 1
192 . 1 1 23 23 ALA HB3 H 1 1.511 0.030 . 1 . . . . 23 ALA HB . 11328 1
193 . 1 1 23 23 ALA C C 13 180.134 0.300 . 1 . . . . 23 ALA C . 11328 1
194 . 1 1 23 23 ALA CA C 13 54.922 0.300 . 1 . . . . 23 ALA CA . 11328 1
195 . 1 1 23 23 ALA CB C 13 18.909 0.300 . 1 . . . . 23 ALA CB . 11328 1
196 . 1 1 23 23 ALA N N 15 133.399 0.300 . 1 . . . . 23 ALA N . 11328 1
197 . 1 1 24 24 GLY H H 1 8.656 0.030 . 1 . . . . 24 GLY H . 11328 1
198 . 1 1 24 24 GLY HA2 H 1 2.517 0.030 . 2 . . . . 24 GLY HA2 . 11328 1
199 . 1 1 24 24 GLY HA3 H 1 3.910 0.030 . 2 . . . . 24 GLY HA3 . 11328 1
200 . 1 1 24 24 GLY C C 13 174.587 0.300 . 1 . . . . 24 GLY C . 11328 1
201 . 1 1 24 24 GLY CA C 13 45.585 0.300 . 1 . . . . 24 GLY CA . 11328 1
202 . 1 1 24 24 GLY N N 15 109.270 0.300 . 1 . . . . 24 GLY N . 11328 1
203 . 1 1 25 25 CYS H H 1 7.416 0.030 . 1 . . . . 25 CYS H . 11328 1
204 . 1 1 25 25 CYS HA H 1 4.727 0.030 . 1 . . . . 25 CYS HA . 11328 1
205 . 1 1 25 25 CYS HB2 H 1 2.948 0.030 . 2 . . . . 25 CYS HB2 . 11328 1
206 . 1 1 25 25 CYS HB3 H 1 3.949 0.030 . 2 . . . . 25 CYS HB3 . 11328 1
207 . 1 1 25 25 CYS C C 13 174.993 0.300 . 1 . . . . 25 CYS C . 11328 1
208 . 1 1 25 25 CYS CA C 13 59.520 0.300 . 1 . . . . 25 CYS CA . 11328 1
209 . 1 1 25 25 CYS CB C 13 29.069 0.300 . 1 . . . . 25 CYS CB . 11328 1
210 . 1 1 25 25 CYS N N 15 123.919 0.300 . 1 . . . . 25 CYS N . 11328 1
211 . 1 1 26 26 ASP H H 1 7.753 0.030 . 1 . . . . 26 ASP H . 11328 1
212 . 1 1 26 26 ASP HA H 1 4.290 0.030 . 1 . . . . 26 ASP HA . 11328 1
213 . 1 1 26 26 ASP HB2 H 1 2.554 0.030 . 2 . . . . 26 ASP HB2 . 11328 1
214 . 1 1 26 26 ASP HB3 H 1 2.983 0.030 . 2 . . . . 26 ASP HB3 . 11328 1
215 . 1 1 26 26 ASP C C 13 175.758 0.300 . 1 . . . . 26 ASP C . 11328 1
216 . 1 1 26 26 ASP CA C 13 55.544 0.300 . 1 . . . . 26 ASP CA . 11328 1
217 . 1 1 26 26 ASP CB C 13 39.770 0.300 . 1 . . . . 26 ASP CB . 11328 1
218 . 1 1 26 26 ASP N N 15 116.069 0.300 . 1 . . . . 26 ASP N . 11328 1
219 . 1 1 27 27 GLY H H 1 8.155 0.030 . 1 . . . . 27 GLY H . 11328 1
220 . 1 1 27 27 GLY HA2 H 1 3.215 0.030 . 2 . . . . 27 GLY HA2 . 11328 1
221 . 1 1 27 27 GLY HA3 H 1 4.115 0.030 . 2 . . . . 27 GLY HA3 . 11328 1
222 . 1 1 27 27 GLY C C 13 173.982 0.300 . 1 . . . . 27 GLY C . 11328 1
223 . 1 1 27 27 GLY CA C 13 45.531 0.300 . 1 . . . . 27 GLY CA . 11328 1
224 . 1 1 27 27 GLY N N 15 103.806 0.300 . 1 . . . . 27 GLY N . 11328 1
225 . 1 1 28 28 ASP H H 1 7.298 0.030 . 1 . . . . 28 ASP H . 11328 1
226 . 1 1 28 28 ASP HA H 1 4.420 0.030 . 1 . . . . 28 ASP HA . 11328 1
227 . 1 1 28 28 ASP HB2 H 1 2.711 0.030 . 1 . . . . 28 ASP HB2 . 11328 1
228 . 1 1 28 28 ASP HB3 H 1 2.711 0.030 . 1 . . . . 28 ASP HB3 . 11328 1
229 . 1 1 28 28 ASP C C 13 174.447 0.300 . 1 . . . . 28 ASP C . 11328 1
230 . 1 1 28 28 ASP CA C 13 55.534 0.300 . 1 . . . . 28 ASP CA . 11328 1
231 . 1 1 28 28 ASP CB C 13 41.553 0.300 . 1 . . . . 28 ASP CB . 11328 1
232 . 1 1 28 28 ASP N N 15 121.343 0.300 . 1 . . . . 28 ASP N . 11328 1
233 . 1 1 29 29 LEU H H 1 8.091 0.030 . 1 . . . . 29 LEU H . 11328 1
234 . 1 1 29 29 LEU HA H 1 5.047 0.030 . 1 . . . . 29 LEU HA . 11328 1
235 . 1 1 29 29 LEU HB2 H 1 0.700 0.030 . 2 . . . . 29 LEU HB2 . 11328 1
236 . 1 1 29 29 LEU HB3 H 1 1.610 0.030 . 2 . . . . 29 LEU HB3 . 11328 1
237 . 1 1 29 29 LEU HD11 H 1 0.234 0.030 . 1 . . . . 29 LEU HD1 . 11328 1
238 . 1 1 29 29 LEU HD12 H 1 0.234 0.030 . 1 . . . . 29 LEU HD1 . 11328 1
239 . 1 1 29 29 LEU HD13 H 1 0.234 0.030 . 1 . . . . 29 LEU HD1 . 11328 1
240 . 1 1 29 29 LEU HD21 H 1 0.182 0.030 . 1 . . . . 29 LEU HD2 . 11328 1
241 . 1 1 29 29 LEU HD22 H 1 0.182 0.030 . 1 . . . . 29 LEU HD2 . 11328 1
242 . 1 1 29 29 LEU HD23 H 1 0.182 0.030 . 1 . . . . 29 LEU HD2 . 11328 1
243 . 1 1 29 29 LEU HG H 1 1.491 0.030 . 1 . . . . 29 LEU HG . 11328 1
244 . 1 1 29 29 LEU C C 13 176.801 0.300 . 1 . . . . 29 LEU C . 11328 1
245 . 1 1 29 29 LEU CA C 13 52.925 0.300 . 1 . . . . 29 LEU CA . 11328 1
246 . 1 1 29 29 LEU CB C 13 43.110 0.300 . 1 . . . . 29 LEU CB . 11328 1
247 . 1 1 29 29 LEU CD1 C 13 25.304 0.300 . 2 . . . . 29 LEU CD1 . 11328 1
248 . 1 1 29 29 LEU CD2 C 13 22.845 0.300 . 2 . . . . 29 LEU CD2 . 11328 1
249 . 1 1 29 29 LEU CG C 13 26.417 0.300 . 1 . . . . 29 LEU CG . 11328 1
250 . 1 1 29 29 LEU N N 15 118.520 0.300 . 1 . . . . 29 LEU N . 11328 1
251 . 1 1 30 30 TYR H H 1 9.101 0.030 . 1 . . . . 30 TYR H . 11328 1
252 . 1 1 30 30 TYR HA H 1 6.195 0.030 . 1 . . . . 30 TYR HA . 11328 1
253 . 1 1 30 30 TYR HB2 H 1 2.487 0.030 . 2 . . . . 30 TYR HB2 . 11328 1
254 . 1 1 30 30 TYR HB3 H 1 3.926 0.030 . 2 . . . . 30 TYR HB3 . 11328 1
255 . 1 1 30 30 TYR HD1 H 1 7.074 0.030 . 1 . . . . 30 TYR HD1 . 11328 1
256 . 1 1 30 30 TYR HD2 H 1 7.074 0.030 . 1 . . . . 30 TYR HD2 . 11328 1
257 . 1 1 30 30 TYR HE1 H 1 6.812 0.030 . 1 . . . . 30 TYR HE1 . 11328 1
258 . 1 1 30 30 TYR HE2 H 1 6.812 0.030 . 1 . . . . 30 TYR HE2 . 11328 1
259 . 1 1 30 30 TYR C C 13 177.381 0.300 . 1 . . . . 30 TYR C . 11328 1
260 . 1 1 30 30 TYR CA C 13 57.293 0.300 . 1 . . . . 30 TYR CA . 11328 1
261 . 1 1 30 30 TYR CB C 13 45.963 0.300 . 1 . . . . 30 TYR CB . 11328 1
262 . 1 1 30 30 TYR CD1 C 13 133.372 0.300 . 1 . . . . 30 TYR CD1 . 11328 1
263 . 1 1 30 30 TYR CD2 C 13 133.372 0.300 . 1 . . . . 30 TYR CD2 . 11328 1
264 . 1 1 30 30 TYR CE1 C 13 119.216 0.300 . 1 . . . . 30 TYR CE1 . 11328 1
265 . 1 1 30 30 TYR CE2 C 13 119.216 0.300 . 1 . . . . 30 TYR CE2 . 11328 1
266 . 1 1 30 30 TYR N N 15 117.442 0.300 . 1 . . . . 30 TYR N . 11328 1
267 . 1 1 31 31 CYS H H 1 9.496 0.030 . 1 . . . . 31 CYS H . 11328 1
268 . 1 1 31 31 CYS HA H 1 5.253 0.030 . 1 . . . . 31 CYS HA . 11328 1
269 . 1 1 31 31 CYS HB2 H 1 3.167 0.030 . 2 . . . . 31 CYS HB2 . 11328 1
270 . 1 1 31 31 CYS HB3 H 1 3.539 0.030 . 2 . . . . 31 CYS HB3 . 11328 1
271 . 1 1 31 31 CYS C C 13 175.562 0.300 . 1 . . . . 31 CYS C . 11328 1
272 . 1 1 31 31 CYS CA C 13 57.967 0.300 . 1 . . . . 31 CYS CA . 11328 1
273 . 1 1 31 31 CYS CB C 13 31.276 0.300 . 1 . . . . 31 CYS CB . 11328 1
274 . 1 1 31 31 CYS N N 15 118.998 0.300 . 1 . . . . 31 CYS N . 11328 1
275 . 1 1 32 32 ALA H H 1 8.743 0.030 . 1 . . . . 32 ALA H . 11328 1
276 . 1 1 32 32 ALA HA H 1 3.939 0.030 . 1 . . . . 32 ALA HA . 11328 1
277 . 1 1 32 32 ALA HB1 H 1 1.455 0.030 . 1 . . . . 32 ALA HB . 11328 1
278 . 1 1 32 32 ALA HB2 H 1 1.455 0.030 . 1 . . . . 32 ALA HB . 11328 1
279 . 1 1 32 32 ALA HB3 H 1 1.455 0.030 . 1 . . . . 32 ALA HB . 11328 1
280 . 1 1 32 32 ALA C C 13 180.204 0.300 . 1 . . . . 32 ALA C . 11328 1
281 . 1 1 32 32 ALA CA C 13 56.062 0.300 . 1 . . . . 32 ALA CA . 11328 1
282 . 1 1 32 32 ALA CB C 13 18.297 0.300 . 1 . . . . 32 ALA CB . 11328 1
283 . 1 1 32 32 ALA N N 15 122.627 0.300 . 1 . . . . 32 ALA N . 11328 1
284 . 1 1 33 33 ARG H H 1 8.347 0.030 . 1 . . . . 33 ARG H . 11328 1
285 . 1 1 33 33 ARG HA H 1 4.052 0.030 . 1 . . . . 33 ARG HA . 11328 1
286 . 1 1 33 33 ARG HB2 H 1 1.972 0.030 . 2 . . . . 33 ARG HB2 . 11328 1
287 . 1 1 33 33 ARG HB3 H 1 2.178 0.030 . 2 . . . . 33 ARG HB3 . 11328 1
288 . 1 1 33 33 ARG HD2 H 1 3.217 0.030 . 2 . . . . 33 ARG HD2 . 11328 1
289 . 1 1 33 33 ARG HD3 H 1 3.070 0.030 . 2 . . . . 33 ARG HD3 . 11328 1
290 . 1 1 33 33 ARG HE H 1 7.440 0.030 . 1 . . . . 33 ARG HE . 11328 1
291 . 1 1 33 33 ARG HG2 H 1 1.810 0.030 . 2 . . . . 33 ARG HG2 . 11328 1
292 . 1 1 33 33 ARG HG3 H 1 1.491 0.030 . 2 . . . . 33 ARG HG3 . 11328 1
293 . 1 1 33 33 ARG C C 13 178.848 0.300 . 1 . . . . 33 ARG C . 11328 1
294 . 1 1 33 33 ARG CA C 13 59.800 0.300 . 1 . . . . 33 ARG CA . 11328 1
295 . 1 1 33 33 ARG CB C 13 29.315 0.300 . 1 . . . . 33 ARG CB . 11328 1
296 . 1 1 33 33 ARG CD C 13 42.583 0.300 . 1 . . . . 33 ARG CD . 11328 1
297 . 1 1 33 33 ARG CG C 13 26.383 0.300 . 1 . . . . 33 ARG CG . 11328 1
298 . 1 1 33 33 ARG N N 15 120.352 0.300 . 1 . . . . 33 ARG N . 11328 1
299 . 1 1 33 33 ARG NE N 15 84.903 0.300 . 1 . . . . 33 ARG NE . 11328 1
300 . 1 1 34 34 CYS H H 1 9.232 0.030 . 1 . . . . 34 CYS H . 11328 1
301 . 1 1 34 34 CYS HA H 1 3.968 0.030 . 1 . . . . 34 CYS HA . 11328 1
302 . 1 1 34 34 CYS HB2 H 1 3.236 0.030 . 2 . . . . 34 CYS HB2 . 11328 1
303 . 1 1 34 34 CYS HB3 H 1 3.175 0.030 . 2 . . . . 34 CYS HB3 . 11328 1
304 . 1 1 34 34 CYS C C 13 179.893 0.300 . 1 . . . . 34 CYS C . 11328 1
305 . 1 1 34 34 CYS CA C 13 64.304 0.300 . 1 . . . . 34 CYS CA . 11328 1
306 . 1 1 34 34 CYS CB C 13 30.642 0.300 . 1 . . . . 34 CYS CB . 11328 1
307 . 1 1 34 34 CYS N N 15 123.391 0.300 . 1 . . . . 34 CYS N . 11328 1
308 . 1 1 35 35 PHE H H 1 8.746 0.030 . 1 . . . . 35 PHE H . 11328 1
309 . 1 1 35 35 PHE HA H 1 3.256 0.030 . 1 . . . . 35 PHE HA . 11328 1
310 . 1 1 35 35 PHE HB2 H 1 2.794 0.030 . 2 . . . . 35 PHE HB2 . 11328 1
311 . 1 1 35 35 PHE HB3 H 1 2.918 0.030 . 2 . . . . 35 PHE HB3 . 11328 1
312 . 1 1 35 35 PHE HD1 H 1 6.361 0.030 . 1 . . . . 35 PHE HD1 . 11328 1
313 . 1 1 35 35 PHE HD2 H 1 6.361 0.030 . 1 . . . . 35 PHE HD2 . 11328 1
314 . 1 1 35 35 PHE HE1 H 1 6.912 0.030 . 1 . . . . 35 PHE HE1 . 11328 1
315 . 1 1 35 35 PHE HE2 H 1 6.912 0.030 . 1 . . . . 35 PHE HE2 . 11328 1
316 . 1 1 35 35 PHE HZ H 1 6.834 0.030 . 1 . . . . 35 PHE HZ . 11328 1
317 . 1 1 35 35 PHE C C 13 177.728 0.300 . 1 . . . . 35 PHE C . 11328 1
318 . 1 1 35 35 PHE CA C 13 63.162 0.300 . 1 . . . . 35 PHE CA . 11328 1
319 . 1 1 35 35 PHE CB C 13 39.339 0.300 . 1 . . . . 35 PHE CB . 11328 1
320 . 1 1 35 35 PHE CD1 C 13 130.218 0.300 . 1 . . . . 35 PHE CD1 . 11328 1
321 . 1 1 35 35 PHE CD2 C 13 130.218 0.300 . 1 . . . . 35 PHE CD2 . 11328 1
322 . 1 1 35 35 PHE CE1 C 13 131.517 0.300 . 1 . . . . 35 PHE CE1 . 11328 1
323 . 1 1 35 35 PHE CE2 C 13 131.517 0.300 . 1 . . . . 35 PHE CE2 . 11328 1
324 . 1 1 35 35 PHE CZ C 13 130.310 0.300 . 1 . . . . 35 PHE CZ . 11328 1
325 . 1 1 35 35 PHE N N 15 119.737 0.300 . 1 . . . . 35 PHE N . 11328 1
326 . 1 1 36 36 ARG H H 1 7.812 0.030 . 1 . . . . 36 ARG H . 11328 1
327 . 1 1 36 36 ARG HA H 1 3.822 0.030 . 1 . . . . 36 ARG HA . 11328 1
328 . 1 1 36 36 ARG HB2 H 1 2.015 0.030 . 1 . . . . 36 ARG HB2 . 11328 1
329 . 1 1 36 36 ARG HB3 H 1 2.015 0.030 . 1 . . . . 36 ARG HB3 . 11328 1
330 . 1 1 36 36 ARG HD2 H 1 3.257 0.030 . 1 . . . . 36 ARG HD2 . 11328 1
331 . 1 1 36 36 ARG HD3 H 1 3.257 0.030 . 1 . . . . 36 ARG HD3 . 11328 1
332 . 1 1 36 36 ARG HG2 H 1 1.688 0.030 . 2 . . . . 36 ARG HG2 . 11328 1
333 . 1 1 36 36 ARG HG3 H 1 1.784 0.030 . 2 . . . . 36 ARG HG3 . 11328 1
334 . 1 1 36 36 ARG C C 13 178.895 0.300 . 1 . . . . 36 ARG C . 11328 1
335 . 1 1 36 36 ARG CA C 13 59.239 0.300 . 1 . . . . 36 ARG CA . 11328 1
336 . 1 1 36 36 ARG CB C 13 29.857 0.300 . 1 . . . . 36 ARG CB . 11328 1
337 . 1 1 36 36 ARG CD C 13 43.355 0.300 . 1 . . . . 36 ARG CD . 11328 1
338 . 1 1 36 36 ARG CG C 13 27.195 0.300 . 1 . . . . 36 ARG CG . 11328 1
339 . 1 1 36 36 ARG N N 15 119.301 0.300 . 1 . . . . 36 ARG N . 11328 1
340 . 1 1 37 37 GLU H H 1 8.110 0.030 . 1 . . . . 37 GLU H . 11328 1
341 . 1 1 37 37 GLU HA H 1 3.981 0.030 . 1 . . . . 37 GLU HA . 11328 1
342 . 1 1 37 37 GLU HB2 H 1 1.928 0.030 . 2 . . . . 37 GLU HB2 . 11328 1
343 . 1 1 37 37 GLU HB3 H 1 2.006 0.030 . 2 . . . . 37 GLU HB3 . 11328 1
344 . 1 1 37 37 GLU HG2 H 1 2.469 0.030 . 2 . . . . 37 GLU HG2 . 11328 1
345 . 1 1 37 37 GLU HG3 H 1 2.240 0.030 . 2 . . . . 37 GLU HG3 . 11328 1
346 . 1 1 37 37 GLU C C 13 178.678 0.300 . 1 . . . . 37 GLU C . 11328 1
347 . 1 1 37 37 GLU CA C 13 58.781 0.300 . 1 . . . . 37 GLU CA . 11328 1
348 . 1 1 37 37 GLU CB C 13 29.763 0.300 . 1 . . . . 37 GLU CB . 11328 1
349 . 1 1 37 37 GLU CG C 13 36.645 0.300 . 1 . . . . 37 GLU CG . 11328 1
350 . 1 1 37 37 GLU N N 15 116.713 0.300 . 1 . . . . 37 GLU N . 11328 1
351 . 1 1 38 38 GLY H H 1 7.754 0.030 . 1 . . . . 38 GLY H . 11328 1
352 . 1 1 38 38 GLY HA2 H 1 3.474 0.030 . 2 . . . . 38 GLY HA2 . 11328 1
353 . 1 1 38 38 GLY HA3 H 1 4.051 0.030 . 2 . . . . 38 GLY HA3 . 11328 1
354 . 1 1 38 38 GLY C C 13 174.005 0.300 . 1 . . . . 38 GLY C . 11328 1
355 . 1 1 38 38 GLY CA C 13 45.300 0.300 . 1 . . . . 38 GLY CA . 11328 1
356 . 1 1 38 38 GLY N N 15 103.860 0.300 . 1 . . . . 38 GLY N . 11328 1
357 . 1 1 39 39 HIS H H 1 7.089 0.030 . 1 . . . . 39 HIS H . 11328 1
358 . 1 1 39 39 HIS HA H 1 4.009 0.030 . 1 . . . . 39 HIS HA . 11328 1
359 . 1 1 39 39 HIS HB2 H 1 1.881 0.030 . 2 . . . . 39 HIS HB2 . 11328 1
360 . 1 1 39 39 HIS HB3 H 1 2.770 0.030 . 2 . . . . 39 HIS HB3 . 11328 1
361 . 1 1 39 39 HIS HD2 H 1 5.988 0.030 . 1 . . . . 39 HIS HD2 . 11328 1
362 . 1 1 39 39 HIS HE1 H 1 6.578 0.030 . 1 . . . . 39 HIS HE1 . 11328 1
363 . 1 1 39 39 HIS C C 13 174.149 0.300 . 1 . . . . 39 HIS C . 11328 1
364 . 1 1 39 39 HIS CA C 13 56.010 0.300 . 1 . . . . 39 HIS CA . 11328 1
365 . 1 1 39 39 HIS CB C 13 27.315 0.300 . 1 . . . . 39 HIS CB . 11328 1
366 . 1 1 39 39 HIS CD2 C 13 125.449 0.300 . 1 . . . . 39 HIS CD2 . 11328 1
367 . 1 1 39 39 HIS CE1 C 13 137.734 0.300 . 1 . . . . 39 HIS CE1 . 11328 1
368 . 1 1 39 39 HIS N N 15 116.223 0.300 . 1 . . . . 39 HIS N . 11328 1
369 . 1 1 40 40 ASP H H 1 7.532 0.030 . 1 . . . . 40 ASP H . 11328 1
370 . 1 1 40 40 ASP HA H 1 4.460 0.030 . 1 . . . . 40 ASP HA . 11328 1
371 . 1 1 40 40 ASP HB2 H 1 2.607 0.030 . 2 . . . . 40 ASP HB2 . 11328 1
372 . 1 1 40 40 ASP HB3 H 1 2.532 0.030 . 2 . . . . 40 ASP HB3 . 11328 1
373 . 1 1 40 40 ASP C C 13 176.193 0.300 . 1 . . . . 40 ASP C . 11328 1
374 . 1 1 40 40 ASP CA C 13 55.321 0.300 . 1 . . . . 40 ASP CA . 11328 1
375 . 1 1 40 40 ASP CB C 13 40.828 0.300 . 1 . . . . 40 ASP CB . 11328 1
376 . 1 1 40 40 ASP N N 15 120.750 0.300 . 1 . . . . 40 ASP N . 11328 1
377 . 1 1 41 41 ASN H H 1 8.015 0.030 . 1 . . . . 41 ASN H . 11328 1
378 . 1 1 41 41 ASN HA H 1 4.588 0.030 . 1 . . . . 41 ASN HA . 11328 1
379 . 1 1 41 41 ASN HB2 H 1 2.671 0.030 . 2 . . . . 41 ASN HB2 . 11328 1
380 . 1 1 41 41 ASN HB3 H 1 2.548 0.030 . 2 . . . . 41 ASN HB3 . 11328 1
381 . 1 1 41 41 ASN HD21 H 1 6.708 0.030 . 2 . . . . 41 ASN HD21 . 11328 1
382 . 1 1 41 41 ASN HD22 H 1 7.403 0.030 . 2 . . . . 41 ASN HD22 . 11328 1
383 . 1 1 41 41 ASN C C 13 175.139 0.300 . 1 . . . . 41 ASN C . 11328 1
384 . 1 1 41 41 ASN CA C 13 53.341 0.300 . 1 . . . . 41 ASN CA . 11328 1
385 . 1 1 41 41 ASN CB C 13 39.070 0.300 . 1 . . . . 41 ASN CB . 11328 1
386 . 1 1 41 41 ASN N N 15 116.123 0.300 . 1 . . . . 41 ASN N . 11328 1
387 . 1 1 41 41 ASN ND2 N 15 113.316 0.300 . 1 . . . . 41 ASN ND2 . 11328 1
388 . 1 1 42 42 PHE H H 1 7.896 0.030 . 1 . . . . 42 PHE H . 11328 1
389 . 1 1 42 42 PHE HA H 1 4.563 0.030 . 1 . . . . 42 PHE HA . 11328 1
390 . 1 1 42 42 PHE HB2 H 1 2.808 0.030 . 2 . . . . 42 PHE HB2 . 11328 1
391 . 1 1 42 42 PHE HB3 H 1 2.964 0.030 . 2 . . . . 42 PHE HB3 . 11328 1
392 . 1 1 42 42 PHE HD1 H 1 6.896 0.030 . 1 . . . . 42 PHE HD1 . 11328 1
393 . 1 1 42 42 PHE HD2 H 1 6.896 0.030 . 1 . . . . 42 PHE HD2 . 11328 1
394 . 1 1 42 42 PHE HE1 H 1 7.156 0.030 . 1 . . . . 42 PHE HE1 . 11328 1
395 . 1 1 42 42 PHE HE2 H 1 7.156 0.030 . 1 . . . . 42 PHE HE2 . 11328 1
396 . 1 1 42 42 PHE HZ H 1 7.209 0.030 . 1 . . . . 42 PHE HZ . 11328 1
397 . 1 1 42 42 PHE C C 13 175.557 0.300 . 1 . . . . 42 PHE C . 11328 1
398 . 1 1 42 42 PHE CA C 13 57.533 0.300 . 1 . . . . 42 PHE CA . 11328 1
399 . 1 1 42 42 PHE CB C 13 39.785 0.300 . 1 . . . . 42 PHE CB . 11328 1
400 . 1 1 42 42 PHE CD1 C 13 131.041 0.300 . 1 . . . . 42 PHE CD1 . 11328 1
401 . 1 1 42 42 PHE CD2 C 13 131.041 0.300 . 1 . . . . 42 PHE CD2 . 11328 1
402 . 1 1 42 42 PHE CE1 C 13 131.260 0.300 . 1 . . . . 42 PHE CE1 . 11328 1
403 . 1 1 42 42 PHE CE2 C 13 131.260 0.300 . 1 . . . . 42 PHE CE2 . 11328 1
404 . 1 1 42 42 PHE CZ C 13 129.836 0.300 . 1 . . . . 42 PHE CZ . 11328 1
405 . 1 1 42 42 PHE N N 15 118.763 0.300 . 1 . . . . 42 PHE N . 11328 1
406 . 1 1 43 43 ASP H H 1 8.429 0.030 . 1 . . . . 43 ASP H . 11328 1
407 . 1 1 43 43 ASP HA H 1 4.595 0.030 . 1 . . . . 43 ASP HA . 11328 1
408 . 1 1 43 43 ASP HB2 H 1 2.604 0.030 . 2 . . . . 43 ASP HB2 . 11328 1
409 . 1 1 43 43 ASP HB3 H 1 2.791 0.030 . 2 . . . . 43 ASP HB3 . 11328 1
410 . 1 1 43 43 ASP C C 13 177.739 0.300 . 1 . . . . 43 ASP C . 11328 1
411 . 1 1 43 43 ASP CA C 13 54.719 0.300 . 1 . . . . 43 ASP CA . 11328 1
412 . 1 1 43 43 ASP CB C 13 40.851 0.300 . 1 . . . . 43 ASP CB . 11328 1
413 . 1 1 43 43 ASP N N 15 119.003 0.300 . 1 . . . . 43 ASP N . 11328 1
414 . 1 1 44 44 LEU H H 1 8.418 0.030 . 1 . . . . 44 LEU H . 11328 1
415 . 1 1 44 44 LEU HA H 1 4.017 0.030 . 1 . . . . 44 LEU HA . 11328 1
416 . 1 1 44 44 LEU HB2 H 1 1.592 0.030 . 2 . . . . 44 LEU HB2 . 11328 1
417 . 1 1 44 44 LEU HB3 H 1 1.453 0.030 . 2 . . . . 44 LEU HB3 . 11328 1
418 . 1 1 44 44 LEU HD11 H 1 0.741 0.030 . 1 . . . . 44 LEU HD1 . 11328 1
419 . 1 1 44 44 LEU HD12 H 1 0.741 0.030 . 1 . . . . 44 LEU HD1 . 11328 1
420 . 1 1 44 44 LEU HD13 H 1 0.741 0.030 . 1 . . . . 44 LEU HD1 . 11328 1
421 . 1 1 44 44 LEU HD21 H 1 0.867 0.030 . 1 . . . . 44 LEU HD2 . 11328 1
422 . 1 1 44 44 LEU HD22 H 1 0.867 0.030 . 1 . . . . 44 LEU HD2 . 11328 1
423 . 1 1 44 44 LEU HD23 H 1 0.867 0.030 . 1 . . . . 44 LEU HD2 . 11328 1
424 . 1 1 44 44 LEU HG H 1 1.704 0.030 . 1 . . . . 44 LEU HG . 11328 1
425 . 1 1 44 44 LEU C C 13 178.611 0.300 . 1 . . . . 44 LEU C . 11328 1
426 . 1 1 44 44 LEU CA C 13 56.726 0.300 . 1 . . . . 44 LEU CA . 11328 1
427 . 1 1 44 44 LEU CB C 13 41.297 0.300 . 1 . . . . 44 LEU CB . 11328 1
428 . 1 1 44 44 LEU CD1 C 13 22.845 0.300 . 2 . . . . 44 LEU CD1 . 11328 1
429 . 1 1 44 44 LEU CD2 C 13 25.302 0.300 . 2 . . . . 44 LEU CD2 . 11328 1
430 . 1 1 44 44 LEU CG C 13 27.137 0.300 . 1 . . . . 44 LEU CG . 11328 1
431 . 1 1 44 44 LEU N N 15 123.907 0.300 . 1 . . . . 44 LEU N . 11328 1
432 . 1 1 45 45 LYS H H 1 8.162 0.030 . 1 . . . . 45 LYS H . 11328 1
433 . 1 1 45 45 LYS HA H 1 4.110 0.030 . 1 . . . . 45 LYS HA . 11328 1
434 . 1 1 45 45 LYS HB2 H 1 1.940 0.030 . 2 . . . . 45 LYS HB2 . 11328 1
435 . 1 1 45 45 LYS HB3 H 1 1.857 0.030 . 2 . . . . 45 LYS HB3 . 11328 1
436 . 1 1 45 45 LYS HD2 H 1 1.684 0.030 . 1 . . . . 45 LYS HD2 . 11328 1
437 . 1 1 45 45 LYS HD3 H 1 1.684 0.030 . 1 . . . . 45 LYS HD3 . 11328 1
438 . 1 1 45 45 LYS HE2 H 1 2.980 0.030 . 1 . . . . 45 LYS HE2 . 11328 1
439 . 1 1 45 45 LYS HE3 H 1 2.980 0.030 . 1 . . . . 45 LYS HE3 . 11328 1
440 . 1 1 45 45 LYS HG2 H 1 1.450 0.030 . 1 . . . . 45 LYS HG2 . 11328 1
441 . 1 1 45 45 LYS HG3 H 1 1.450 0.030 . 1 . . . . 45 LYS HG3 . 11328 1
442 . 1 1 45 45 LYS C C 13 177.921 0.300 . 1 . . . . 45 LYS C . 11328 1
443 . 1 1 45 45 LYS CA C 13 58.857 0.300 . 1 . . . . 45 LYS CA . 11328 1
444 . 1 1 45 45 LYS CB C 13 31.952 0.300 . 1 . . . . 45 LYS CB . 11328 1
445 . 1 1 45 45 LYS CD C 13 29.128 0.300 . 1 . . . . 45 LYS CD . 11328 1
446 . 1 1 45 45 LYS CE C 13 41.956 0.300 . 1 . . . . 45 LYS CE . 11328 1
447 . 1 1 45 45 LYS CG C 13 24.924 0.300 . 1 . . . . 45 LYS CG . 11328 1
448 . 1 1 45 45 LYS N N 15 118.892 0.300 . 1 . . . . 45 LYS N . 11328 1
449 . 1 1 46 46 GLU H H 1 7.894 0.030 . 1 . . . . 46 GLU H . 11328 1
450 . 1 1 46 46 GLU HA H 1 4.362 0.030 . 1 . . . . 46 GLU HA . 11328 1
451 . 1 1 46 46 GLU HB2 H 1 2.029 0.030 . 2 . . . . 46 GLU HB2 . 11328 1
452 . 1 1 46 46 GLU HB3 H 1 2.235 0.030 . 2 . . . . 46 GLU HB3 . 11328 1
453 . 1 1 46 46 GLU HG2 H 1 2.148 0.030 . 2 . . . . 46 GLU HG2 . 11328 1
454 . 1 1 46 46 GLU HG3 H 1 2.304 0.030 . 2 . . . . 46 GLU HG3 . 11328 1
455 . 1 1 46 46 GLU C C 13 177.262 0.300 . 1 . . . . 46 GLU C . 11328 1
456 . 1 1 46 46 GLU CA C 13 56.344 0.300 . 1 . . . . 46 GLU CA . 11328 1
457 . 1 1 46 46 GLU CB C 13 29.957 0.300 . 1 . . . . 46 GLU CB . 11328 1
458 . 1 1 46 46 GLU CG C 13 36.317 0.300 . 1 . . . . 46 GLU CG . 11328 1
459 . 1 1 46 46 GLU N N 15 116.576 0.300 . 1 . . . . 46 GLU N . 11328 1
460 . 1 1 47 47 HIS H H 1 8.154 0.030 . 1 . . . . 47 HIS H . 11328 1
461 . 1 1 47 47 HIS HA H 1 4.265 0.030 . 1 . . . . 47 HIS HA . 11328 1
462 . 1 1 47 47 HIS HB2 H 1 3.058 0.030 . 2 . . . . 47 HIS HB2 . 11328 1
463 . 1 1 47 47 HIS HB3 H 1 3.541 0.030 . 2 . . . . 47 HIS HB3 . 11328 1
464 . 1 1 47 47 HIS HD2 H 1 7.368 0.030 . 1 . . . . 47 HIS HD2 . 11328 1
465 . 1 1 47 47 HIS HE1 H 1 7.758 0.030 . 1 . . . . 47 HIS HE1 . 11328 1
466 . 1 1 47 47 HIS C C 13 173.541 0.300 . 1 . . . . 47 HIS C . 11328 1
467 . 1 1 47 47 HIS CA C 13 56.175 0.300 . 1 . . . . 47 HIS CA . 11328 1
468 . 1 1 47 47 HIS CB C 13 31.117 0.300 . 1 . . . . 47 HIS CB . 11328 1
469 . 1 1 47 47 HIS CD2 C 13 119.058 0.300 . 1 . . . . 47 HIS CD2 . 11328 1
470 . 1 1 47 47 HIS CE1 C 13 140.759 0.300 . 1 . . . . 47 HIS CE1 . 11328 1
471 . 1 1 47 47 HIS N N 15 121.973 0.300 . 1 . . . . 47 HIS N . 11328 1
472 . 1 1 48 48 GLN H H 1 8.025 0.030 . 1 . . . . 48 GLN H . 11328 1
473 . 1 1 48 48 GLN HA H 1 4.422 0.030 . 1 . . . . 48 GLN HA . 11328 1
474 . 1 1 48 48 GLN HB2 H 1 2.099 0.030 . 2 . . . . 48 GLN HB2 . 11328 1
475 . 1 1 48 48 GLN HB3 H 1 1.951 0.030 . 2 . . . . 48 GLN HB3 . 11328 1
476 . 1 1 48 48 GLN HE21 H 1 7.624 0.030 . 2 . . . . 48 GLN HE21 . 11328 1
477 . 1 1 48 48 GLN HE22 H 1 6.906 0.030 . 2 . . . . 48 GLN HE22 . 11328 1
478 . 1 1 48 48 GLN HG2 H 1 2.406 0.030 . 1 . . . . 48 GLN HG2 . 11328 1
479 . 1 1 48 48 GLN HG3 H 1 2.406 0.030 . 1 . . . . 48 GLN HG3 . 11328 1
480 . 1 1 48 48 GLN C C 13 175.916 0.300 . 1 . . . . 48 GLN C . 11328 1
481 . 1 1 48 48 GLN CA C 13 55.592 0.300 . 1 . . . . 48 GLN CA . 11328 1
482 . 1 1 48 48 GLN CB C 13 29.889 0.300 . 1 . . . . 48 GLN CB . 11328 1
483 . 1 1 48 48 GLN CG C 13 34.063 0.300 . 1 . . . . 48 GLN CG . 11328 1
484 . 1 1 48 48 GLN N N 15 120.436 0.300 . 1 . . . . 48 GLN N . 11328 1
485 . 1 1 48 48 GLN NE2 N 15 113.752 0.300 . 1 . . . . 48 GLN NE2 . 11328 1
486 . 1 1 49 49 THR H H 1 8.296 0.030 . 1 . . . . 49 THR H . 11328 1
487 . 1 1 49 49 THR HA H 1 5.462 0.030 . 1 . . . . 49 THR HA . 11328 1
488 . 1 1 49 49 THR HB H 1 3.814 0.030 . 1 . . . . 49 THR HB . 11328 1
489 . 1 1 49 49 THR HG21 H 1 0.458 0.030 . 1 . . . . 49 THR HG2 . 11328 1
490 . 1 1 49 49 THR HG22 H 1 0.458 0.030 . 1 . . . . 49 THR HG2 . 11328 1
491 . 1 1 49 49 THR HG23 H 1 0.458 0.030 . 1 . . . . 49 THR HG2 . 11328 1
492 . 1 1 49 49 THR C C 13 174.613 0.300 . 1 . . . . 49 THR C . 11328 1
493 . 1 1 49 49 THR CA C 13 59.305 0.300 . 1 . . . . 49 THR CA . 11328 1
494 . 1 1 49 49 THR CB C 13 72.049 0.300 . 1 . . . . 49 THR CB . 11328 1
495 . 1 1 49 49 THR CG2 C 13 23.317 0.300 . 1 . . . . 49 THR CG2 . 11328 1
496 . 1 1 49 49 THR N N 15 113.240 0.300 . 1 . . . . 49 THR N . 11328 1
497 . 1 1 50 50 SER H H 1 8.500 0.030 . 1 . . . . 50 SER H . 11328 1
498 . 1 1 50 50 SER HA H 1 4.958 0.030 . 1 . . . . 50 SER HA . 11328 1
499 . 1 1 50 50 SER HB2 H 1 3.872 0.030 . 2 . . . . 50 SER HB2 . 11328 1
500 . 1 1 50 50 SER HB3 H 1 3.785 0.030 . 2 . . . . 50 SER HB3 . 11328 1
501 . 1 1 50 50 SER C C 13 171.269 0.300 . 1 . . . . 50 SER C . 11328 1
502 . 1 1 50 50 SER CA C 13 55.659 0.300 . 1 . . . . 50 SER CA . 11328 1
503 . 1 1 50 50 SER CB C 13 64.731 0.300 . 1 . . . . 50 SER CB . 11328 1
504 . 1 1 50 50 SER N N 15 113.893 0.300 . 1 . . . . 50 SER N . 11328 1
505 . 1 1 51 51 PRO HA H 1 4.526 0.030 . 1 . . . . 51 PRO HA . 11328 1
506 . 1 1 51 51 PRO HB2 H 1 1.672 0.030 . 2 . . . . 51 PRO HB2 . 11328 1
507 . 1 1 51 51 PRO HB3 H 1 2.294 0.030 . 2 . . . . 51 PRO HB3 . 11328 1
508 . 1 1 51 51 PRO HD2 H 1 3.653 0.030 . 2 . . . . 51 PRO HD2 . 11328 1
509 . 1 1 51 51 PRO HD3 H 1 3.816 0.030 . 2 . . . . 51 PRO HD3 . 11328 1
510 . 1 1 51 51 PRO HG2 H 1 2.083 0.030 . 2 . . . . 51 PRO HG2 . 11328 1
511 . 1 1 51 51 PRO HG3 H 1 1.978 0.030 . 2 . . . . 51 PRO HG3 . 11328 1
512 . 1 1 51 51 PRO C C 13 176.041 0.300 . 1 . . . . 51 PRO C . 11328 1
513 . 1 1 51 51 PRO CA C 13 62.961 0.300 . 1 . . . . 51 PRO CA . 11328 1
514 . 1 1 51 51 PRO CB C 13 32.279 0.300 . 1 . . . . 51 PRO CB . 11328 1
515 . 1 1 51 51 PRO CD C 13 50.670 0.300 . 1 . . . . 51 PRO CD . 11328 1
516 . 1 1 51 51 PRO CG C 13 27.634 0.300 . 1 . . . . 51 PRO CG . 11328 1
517 . 1 1 52 52 TYR H H 1 7.820 0.030 . 1 . . . . 52 TYR H . 11328 1
518 . 1 1 52 52 TYR HA H 1 4.421 0.030 . 1 . . . . 52 TYR HA . 11328 1
519 . 1 1 52 52 TYR HB2 H 1 2.188 0.030 . 2 . . . . 52 TYR HB2 . 11328 1
520 . 1 1 52 52 TYR HB3 H 1 2.398 0.030 . 2 . . . . 52 TYR HB3 . 11328 1
521 . 1 1 52 52 TYR HD1 H 1 6.764 0.030 . 1 . . . . 52 TYR HD1 . 11328 1
522 . 1 1 52 52 TYR HD2 H 1 6.764 0.030 . 1 . . . . 52 TYR HD2 . 11328 1
523 . 1 1 52 52 TYR HE1 H 1 6.615 0.030 . 1 . . . . 52 TYR HE1 . 11328 1
524 . 1 1 52 52 TYR HE2 H 1 6.615 0.030 . 1 . . . . 52 TYR HE2 . 11328 1
525 . 1 1 52 52 TYR C C 13 173.133 0.300 . 1 . . . . 52 TYR C . 11328 1
526 . 1 1 52 52 TYR CA C 13 57.194 0.300 . 1 . . . . 52 TYR CA . 11328 1
527 . 1 1 52 52 TYR CB C 13 40.751 0.300 . 1 . . . . 52 TYR CB . 11328 1
528 . 1 1 52 52 TYR CD1 C 13 132.920 0.300 . 1 . . . . 52 TYR CD1 . 11328 1
529 . 1 1 52 52 TYR CD2 C 13 132.920 0.300 . 1 . . . . 52 TYR CD2 . 11328 1
530 . 1 1 52 52 TYR CE1 C 13 118.317 0.300 . 1 . . . . 52 TYR CE1 . 11328 1
531 . 1 1 52 52 TYR CE2 C 13 118.317 0.300 . 1 . . . . 52 TYR CE2 . 11328 1
532 . 1 1 52 52 TYR N N 15 124.116 0.300 . 1 . . . . 52 TYR N . 11328 1
533 . 1 1 53 53 HIS H H 1 7.666 0.030 . 1 . . . . 53 HIS H . 11328 1
534 . 1 1 53 53 HIS HA H 1 4.764 0.030 . 1 . . . . 53 HIS HA . 11328 1
535 . 1 1 53 53 HIS HB2 H 1 2.886 0.030 . 2 . . . . 53 HIS HB2 . 11328 1
536 . 1 1 53 53 HIS HB3 H 1 2.756 0.030 . 2 . . . . 53 HIS HB3 . 11328 1
537 . 1 1 53 53 HIS HD2 H 1 6.906 0.030 . 1 . . . . 53 HIS HD2 . 11328 1
538 . 1 1 53 53 HIS HE1 H 1 7.857 0.030 . 1 . . . . 53 HIS HE1 . 11328 1
539 . 1 1 53 53 HIS C C 13 172.233 0.300 . 1 . . . . 53 HIS C . 11328 1
540 . 1 1 53 53 HIS CA C 13 52.919 0.300 . 1 . . . . 53 HIS CA . 11328 1
541 . 1 1 53 53 HIS CB C 13 30.861 0.300 . 1 . . . . 53 HIS CB . 11328 1
542 . 1 1 53 53 HIS CD2 C 13 120.265 0.300 . 1 . . . . 53 HIS CD2 . 11328 1
543 . 1 1 53 53 HIS CE1 C 13 137.907 0.300 . 1 . . . . 53 HIS CE1 . 11328 1
544 . 1 1 53 53 HIS N N 15 125.831 0.300 . 1 . . . . 53 HIS N . 11328 1
545 . 1 1 54 54 PRO HA H 1 4.193 0.030 . 1 . . . . 54 PRO HA . 11328 1
546 . 1 1 54 54 PRO HB2 H 1 1.854 0.030 . 2 . . . . 54 PRO HB2 . 11328 1
547 . 1 1 54 54 PRO HB3 H 1 2.267 0.030 . 2 . . . . 54 PRO HB3 . 11328 1
548 . 1 1 54 54 PRO HD2 H 1 3.421 0.030 . 2 . . . . 54 PRO HD2 . 11328 1
549 . 1 1 54 54 PRO HD3 H 1 3.482 0.030 . 2 . . . . 54 PRO HD3 . 11328 1
550 . 1 1 54 54 PRO HG2 H 1 2.014 0.030 . 2 . . . . 54 PRO HG2 . 11328 1
551 . 1 1 54 54 PRO HG3 H 1 1.916 0.030 . 2 . . . . 54 PRO HG3 . 11328 1
552 . 1 1 54 54 PRO C C 13 176.628 0.300 . 1 . . . . 54 PRO C . 11328 1
553 . 1 1 54 54 PRO CA C 13 62.881 0.300 . 1 . . . . 54 PRO CA . 11328 1
554 . 1 1 54 54 PRO CB C 13 32.199 0.300 . 1 . . . . 54 PRO CB . 11328 1
555 . 1 1 54 54 PRO CD C 13 50.756 0.300 . 1 . . . . 54 PRO CD . 11328 1
556 . 1 1 54 54 PRO CG C 13 27.290 0.300 . 1 . . . . 54 PRO CG . 11328 1
557 . 1 1 55 55 ARG H H 1 8.440 0.030 . 1 . . . . 55 ARG H . 11328 1
558 . 1 1 55 55 ARG HA H 1 4.261 0.030 . 1 . . . . 55 ARG HA . 11328 1
559 . 1 1 55 55 ARG HB2 H 1 1.789 0.030 . 2 . . . . 55 ARG HB2 . 11328 1
560 . 1 1 55 55 ARG HB3 H 1 1.714 0.030 . 2 . . . . 55 ARG HB3 . 11328 1
561 . 1 1 55 55 ARG HD2 H 1 3.151 0.030 . 1 . . . . 55 ARG HD2 . 11328 1
562 . 1 1 55 55 ARG HD3 H 1 3.151 0.030 . 1 . . . . 55 ARG HD3 . 11328 1
563 . 1 1 55 55 ARG HG2 H 1 1.590 0.030 . 2 . . . . 55 ARG HG2 . 11328 1
564 . 1 1 55 55 ARG HG3 H 1 1.554 0.030 . 2 . . . . 55 ARG HG3 . 11328 1
565 . 1 1 55 55 ARG C C 13 175.940 0.300 . 1 . . . . 55 ARG C . 11328 1
566 . 1 1 55 55 ARG CA C 13 55.970 0.300 . 1 . . . . 55 ARG CA . 11328 1
567 . 1 1 55 55 ARG CB C 13 30.557 0.300 . 1 . . . . 55 ARG CB . 11328 1
568 . 1 1 55 55 ARG CD C 13 43.288 0.300 . 1 . . . . 55 ARG CD . 11328 1
569 . 1 1 55 55 ARG CG C 13 27.243 0.300 . 1 . . . . 55 ARG CG . 11328 1
570 . 1 1 55 55 ARG N N 15 120.927 0.300 . 1 . . . . 55 ARG N . 11328 1
571 . 1 1 56 56 ARG H H 1 8.327 0.030 . 1 . . . . 56 ARG H . 11328 1
572 . 1 1 56 56 ARG HA H 1 4.608 0.030 . 1 . . . . 56 ARG HA . 11328 1
573 . 1 1 56 56 ARG HB2 H 1 1.826 0.030 . 2 . . . . 56 ARG HB2 . 11328 1
574 . 1 1 56 56 ARG HB3 H 1 1.680 0.030 . 2 . . . . 56 ARG HB3 . 11328 1
575 . 1 1 56 56 ARG HD2 H 1 3.151 0.030 . 1 . . . . 56 ARG HD2 . 11328 1
576 . 1 1 56 56 ARG HD3 H 1 3.151 0.030 . 1 . . . . 56 ARG HD3 . 11328 1
577 . 1 1 56 56 ARG HG2 H 1 1.619 0.030 . 1 . . . . 56 ARG HG2 . 11328 1
578 . 1 1 56 56 ARG HG3 H 1 1.619 0.030 . 1 . . . . 56 ARG HG3 . 11328 1
579 . 1 1 56 56 ARG CA C 13 53.702 0.300 . 1 . . . . 56 ARG CA . 11328 1
580 . 1 1 56 56 ARG CB C 13 30.385 0.300 . 1 . . . . 56 ARG CB . 11328 1
581 . 1 1 56 56 ARG CD C 13 43.380 0.300 . 1 . . . . 56 ARG CD . 11328 1
582 . 1 1 56 56 ARG CG C 13 26.924 0.300 . 1 . . . . 56 ARG CG . 11328 1
583 . 1 1 56 56 ARG N N 15 123.800 0.300 . 1 . . . . 56 ARG N . 11328 1
584 . 1 1 57 57 PRO HB2 H 1 1.962 0.030 . 2 . . . . 57 PRO HB2 . 11328 1
585 . 1 1 57 57 PRO HB3 H 1 2.260 0.030 . 2 . . . . 57 PRO HB3 . 11328 1
586 . 1 1 57 57 PRO HD2 H 1 3.625 0.030 . 2 . . . . 57 PRO HD2 . 11328 1
587 . 1 1 57 57 PRO HD3 H 1 3.769 0.030 . 2 . . . . 57 PRO HD3 . 11328 1
588 . 1 1 57 57 PRO HG2 H 1 1.673 0.030 . 2 . . . . 57 PRO HG2 . 11328 1
589 . 1 1 57 57 PRO HG3 H 1 1.852 0.030 . 2 . . . . 57 PRO HG3 . 11328 1
590 . 1 1 57 57 PRO CA C 13 63.000 0.300 . 1 . . . . 57 PRO CA . 11328 1
591 . 1 1 57 57 PRO CB C 13 32.310 0.300 . 1 . . . . 57 PRO CB . 11328 1
592 . 1 1 57 57 PRO CD C 13 50.631 0.300 . 1 . . . . 57 PRO CD . 11328 1
593 . 1 1 57 57 PRO CG C 13 27.621 0.300 . 1 . . . . 57 PRO CG . 11328 1
594 . 1 1 58 58 CYS HA H 1 4.431 0.030 . 1 . . . . 58 CYS HA . 11328 1
595 . 1 1 58 58 CYS HB2 H 1 2.932 0.030 . 1 . . . . 58 CYS HB2 . 11328 1
596 . 1 1 58 58 CYS HB3 H 1 2.932 0.030 . 1 . . . . 58 CYS HB3 . 11328 1
597 . 1 1 58 58 CYS CA C 13 58.786 0.300 . 1 . . . . 58 CYS CA . 11328 1
598 . 1 1 58 58 CYS CB C 13 28.033 0.300 . 1 . . . . 58 CYS CB . 11328 1
599 . 1 1 59 59 GLN HA H 1 4.312 0.030 . 1 . . . . 59 GLN HA . 11328 1
600 . 1 1 59 59 GLN HB2 H 1 1.984 0.030 . 2 . . . . 59 GLN HB2 . 11328 1
601 . 1 1 59 59 GLN HB3 H 1 2.118 0.030 . 2 . . . . 59 GLN HB3 . 11328 1
602 . 1 1 59 59 GLN HE21 H 1 6.875 0.030 . 2 . . . . 59 GLN HE21 . 11328 1
603 . 1 1 59 59 GLN HE22 H 1 7.548 0.030 . 2 . . . . 59 GLN HE22 . 11328 1
604 . 1 1 59 59 GLN HG2 H 1 2.344 0.030 . 1 . . . . 59 GLN HG2 . 11328 1
605 . 1 1 59 59 GLN HG3 H 1 2.344 0.030 . 1 . . . . 59 GLN HG3 . 11328 1
606 . 1 1 59 59 GLN CA C 13 55.970 0.300 . 1 . . . . 59 GLN CA . 11328 1
607 . 1 1 59 59 GLN CB C 13 29.133 0.300 . 1 . . . . 59 GLN CB . 11328 1
608 . 1 1 59 59 GLN CG C 13 33.909 0.300 . 1 . . . . 59 GLN CG . 11328 1
609 . 1 1 59 59 GLN NE2 N 15 112.634 0.300 . 1 . . . . 59 GLN NE2 . 11328 1
610 . 1 1 60 60 GLU HA H 1 4.214 0.030 . 1 . . . . 60 GLU HA . 11328 1
611 . 1 1 60 60 GLU HB2 H 1 1.927 0.030 . 2 . . . . 60 GLU HB2 . 11328 1
612 . 1 1 60 60 GLU HB3 H 1 1.651 0.030 . 2 . . . . 60 GLU HB3 . 11328 1
613 . 1 1 60 60 GLU HG2 H 1 2.183 0.030 . 2 . . . . 60 GLU HG2 . 11328 1
614 . 1 1 60 60 GLU HG3 H 1 2.023 0.030 . 2 . . . . 60 GLU HG3 . 11328 1
615 . 1 1 60 60 GLU CA C 13 56.726 0.300 . 1 . . . . 60 GLU CA . 11328 1
616 . 1 1 60 60 GLU CB C 13 30.004 0.300 . 1 . . . . 60 GLU CB . 11328 1
617 . 1 1 60 60 GLU CG C 13 36.212 0.300 . 1 . . . . 60 GLU CG . 11328 1
618 . 1 1 61 61 HIS HA H 1 4.689 0.030 . 1 . . . . 61 HIS HA . 11328 1
619 . 1 1 61 61 HIS HB2 H 1 3.081 0.030 . 2 . . . . 61 HIS HB2 . 11328 1
620 . 1 1 61 61 HIS HB3 H 1 3.157 0.030 . 2 . . . . 61 HIS HB3 . 11328 1
621 . 1 1 61 61 HIS HD2 H 1 7.038 0.030 . 1 . . . . 61 HIS HD2 . 11328 1
622 . 1 1 61 61 HIS HE1 H 1 7.900 0.030 . 1 . . . . 61 HIS HE1 . 11328 1
623 . 1 1 61 61 HIS CA C 13 56.203 0.300 . 1 . . . . 61 HIS CA . 11328 1
624 . 1 1 61 61 HIS CB C 13 30.702 0.300 . 1 . . . . 61 HIS CB . 11328 1
625 . 1 1 61 61 HIS CD2 C 13 119.937 0.300 . 1 . . . . 61 HIS CD2 . 11328 1
626 . 1 1 61 61 HIS CE1 C 13 138.154 0.300 . 1 . . . . 61 HIS CE1 . 11328 1
627 . 1 1 62 62 SER HA H 1 4.490 0.030 . 1 . . . . 62 SER HA . 11328 1
628 . 1 1 62 62 SER HB2 H 1 3.881 0.030 . 1 . . . . 62 SER HB2 . 11328 1
629 . 1 1 62 62 SER HB3 H 1 3.881 0.030 . 1 . . . . 62 SER HB3 . 11328 1
630 . 1 1 62 62 SER C C 13 174.497 0.300 . 1 . . . . 62 SER C . 11328 1
631 . 1 1 62 62 SER CA C 13 58.287 0.300 . 1 . . . . 62 SER CA . 11328 1
632 . 1 1 62 62 SER CB C 13 63.762 0.300 . 1 . . . . 62 SER CB . 11328 1
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