data_10228
#######################
# Entry information #
#######################
save_entry_information
_Entry.Sf_category entry_information
_Entry.Sf_framecode entry_information
_Entry.ID 10228
_Entry.Title
;
Solution structure of the C2H2 type zinc finger (region 628-660) of human Zinc
finger protein 95 homolog
;
_Entry.Type macromolecule
_Entry.Version_type original
_Entry.Submission_date 2008-08-19
_Entry.Accession_date 2008-08-20
_Entry.Last_release_date 2009-08-19
_Entry.Original_release_date 2009-08-19
_Entry.Origination author
_Entry.NMR_STAR_version 3.1.1.61
_Entry.Original_NMR_STAR_version 3.0.8.120
_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 N. Tochio . . . 10228
2 T. Tomizawa . . . 10228
3 H. Abe . . . 10228
4 K. Saito . . . 10228
5 H. Li . . . 10228
6 M. Sato . . . 10228
7 S. Koshiba . . . 10228
8 N. Kobayashi . . . 10228
9 T. Kigawa . . . 10228
10 S. Yokoyama . . . 10228
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
1 'Protein 3000 Project' 'Protein Research Group, RIKEN Genomic Sciences Center' 'RIKEN GSC' 10228
stop_
loop_
_Data_set.Type
_Data_set.Count
_Data_set.Entry_ID
assigned_chemical_shifts 1 10228
stop_
loop_
_Datum.Type
_Datum.Count
_Datum.Entry_ID
'13C chemical shifts' 147 10228
'15N chemical shifts' 34 10228
'1H chemical shifts' 224 10228
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 . . 2009-08-19 2008-08-19 original author . 10228
stop_
loop_
_Related_entries.Database_name
_Related_entries.Database_accession_code
_Related_entries.Relationship
_Related_entries.Entry_ID
PDB 2EMZ 'BMRB Entry Tracking System' 10228
stop_
save_
###############
# Citations #
###############
save_citation_1
_Citation.Sf_category citations
_Citation.Sf_framecode citation_1
_Citation.Entry_ID 10228
_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 C2H2 type zinc finger (region 628-660) of human Zinc
finger protein 95 homolog
;
_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 N. Tochio . . . 10228 1
2 T. Tomizawa . . . 10228 1
3 H. Abe . . . 10228 1
4 K. Saito . . . 10228 1
5 H. Li . . . 10228 1
6 M. Sato . . . 10228 1
7 S. Koshiba . . . 10228 1
8 N. Kobayashi . . . 10228 1
9 T. Kigawa . . . 10228 1
10 S. Yokoyama . . . 10228 1
stop_
save_
#############################################
# Molecular system (assembly) description #
#############################################
save_assembly
_Assembly.Sf_category assembly
_Assembly.Sf_framecode assembly
_Assembly.Entry_ID 10228
_Assembly.ID 1
_Assembly.Name 'Zinc finger protein 95 homolog'
_Assembly.BMRB_code .
_Assembly.Number_of_components 2
_Assembly.Organic_ligands .
_Assembly.Metal_ions 1
_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-C2H2 1 $entity_1 . . yes native no no . . . 10228 1
2 'ZINC ION' 2 $ZN . . no native no no . . . 10228 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-C2H2 1 CYS 15 15 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 15 CYS SG . . . . ZN 10228 1
2 coordination single . 1 zf-C2H2 1 CYS 18 18 SG . 2 'ZINC ION' 2 ZN 1 1 ZN . . 18 CYS SG . . . . ZN 10228 1
3 coordination single . 1 zf-C2H2 1 HIS 31 31 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 31 HIS NE2 . . . . ZN 10228 1
4 coordination single . 1 zf-C2H2 1 HIS 35 35 NE2 . 2 'ZINC ION' 2 ZN 1 1 ZN . . 35 HIS NE2 . . . . ZN 10228 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 31 31 HE2 . 31 HIS HE2 10228 1
. . 1 1 HIS 35 35 HE2 . 35 HIS HE2 10228 1
. . 1 1 CYS 15 15 HG . 15 CYS HG 10228 1
. . 1 1 CYS 18 18 HG . 18 CYS HG 10228 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 2EMZ . . . . . . 10228 1
stop_
save_
####################################
# Biological polymers and ligands #
####################################
save_entity_1
_Entity.Sf_category entity
_Entity.Sf_framecode entity_1
_Entity.Entry_ID 10228
_Entity.ID 1
_Entity.BMRB_code .
_Entity.Name zf-C2H2
_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
;
GSSGSSGSGERPFKCNECGK
GFGRRSHLAGHLRLHSREKS
SGPSSG
;
_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 46
_Entity.Number_of_nonpolymer_components .
_Entity.Paramagnetic no
_Entity.Thiol_state 'all disulfide 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 2014-05-12
loop_
_Entity_db_link.Author_supplied
_Entity_db_link.Database_code
_Entity_db_link.Accession_code
_Entity_db_link.Entry_mol_code
_Entity_db_link.Entry_mol_name
_Entity_db_link.Entry_experimental_method
_Entity_db_link.Entry_structure_resolution
_Entity_db_link.Entry_relation_type
_Entity_db_link.Entry_details
_Entity_db_link.Chimera_segment_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
no PDB 2EMZ . "Solution Structure Of The C2h2 Type Zinc Finger (Region 628- 660) Of Human Zinc Finger Protein 95 Homolog" . . . . . 100.00 46 100.00 100.00 6.59e-21 . . . . 10228 1
stop_
loop_
_Entity_common_name.Name
_Entity_common_name.Type
_Entity_common_name.Entry_ID
_Entity_common_name.Entity_ID
zf-C2H2 . 10228 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 . 10228 1
2 . SER . 10228 1
3 . SER . 10228 1
4 . GLY . 10228 1
5 . SER . 10228 1
6 . SER . 10228 1
7 . GLY . 10228 1
8 . SER . 10228 1
9 . GLY . 10228 1
10 . GLU . 10228 1
11 . ARG . 10228 1
12 . PRO . 10228 1
13 . PHE . 10228 1
14 . LYS . 10228 1
15 . CYS . 10228 1
16 . ASN . 10228 1
17 . GLU . 10228 1
18 . CYS . 10228 1
19 . GLY . 10228 1
20 . LYS . 10228 1
21 . GLY . 10228 1
22 . PHE . 10228 1
23 . GLY . 10228 1
24 . ARG . 10228 1
25 . ARG . 10228 1
26 . SER . 10228 1
27 . HIS . 10228 1
28 . LEU . 10228 1
29 . ALA . 10228 1
30 . GLY . 10228 1
31 . HIS . 10228 1
32 . LEU . 10228 1
33 . ARG . 10228 1
34 . LEU . 10228 1
35 . HIS . 10228 1
36 . SER . 10228 1
37 . ARG . 10228 1
38 . GLU . 10228 1
39 . LYS . 10228 1
40 . SER . 10228 1
41 . SER . 10228 1
42 . GLY . 10228 1
43 . PRO . 10228 1
44 . SER . 10228 1
45 . SER . 10228 1
46 . GLY . 10228 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 10228 1
. SER 2 2 10228 1
. SER 3 3 10228 1
. GLY 4 4 10228 1
. SER 5 5 10228 1
. SER 6 6 10228 1
. GLY 7 7 10228 1
. SER 8 8 10228 1
. GLY 9 9 10228 1
. GLU 10 10 10228 1
. ARG 11 11 10228 1
. PRO 12 12 10228 1
. PHE 13 13 10228 1
. LYS 14 14 10228 1
. CYS 15 15 10228 1
. ASN 16 16 10228 1
. GLU 17 17 10228 1
. CYS 18 18 10228 1
. GLY 19 19 10228 1
. LYS 20 20 10228 1
. GLY 21 21 10228 1
. PHE 22 22 10228 1
. GLY 23 23 10228 1
. ARG 24 24 10228 1
. ARG 25 25 10228 1
. SER 26 26 10228 1
. HIS 27 27 10228 1
. LEU 28 28 10228 1
. ALA 29 29 10228 1
. GLY 30 30 10228 1
. HIS 31 31 10228 1
. LEU 32 32 10228 1
. ARG 33 33 10228 1
. LEU 34 34 10228 1
. HIS 35 35 10228 1
. SER 36 36 10228 1
. ARG 37 37 10228 1
. GLU 38 38 10228 1
. LYS 39 39 10228 1
. SER 40 40 10228 1
. SER 41 41 10228 1
. GLY 42 42 10228 1
. PRO 43 43 10228 1
. SER 44 44 10228 1
. SER 45 45 10228 1
. GLY 46 46 10228 1
stop_
save_
save_ZN
_Entity.Sf_category entity
_Entity.Sf_framecode ZN
_Entity.Entry_ID 10228
_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 .
_Entity.Ambiguous_chem_comp_sites .
_Entity.Nstd_monomer .
_Entity.Nstd_chirality .
_Entity.Nstd_linkage .
_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 . 10228 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 10228
_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 . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 10228 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 10228
_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' . . . . . . . . . . . . . . . . . . . plasmid . . P061225-14 . . . . . . 10228 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 10228
_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 .
_Chem_comp.Initial_date .
_Chem_comp.Modified_date .
_Chem_comp.Release_status .
_Chem_comp.Replaced_by .
_Chem_comp.Replaces .
_Chem_comp.One_letter_code .
_Chem_comp.Three_letter_code .
_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 .
_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 .
_Chem_comp.Ideal_coordinates_details .
_Chem_comp.Ideal_coordinates_missing_flag .
_Chem_comp.Model_coordinates_db_code .
_Chem_comp.Processing_site .
_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 Wed Dec 20 05:48:03 2006
;
_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 10228 ZN
[Zn++] SMILES_CANONICAL CACTVS 2.87 10228 ZN
[Zn+2] SMILES OpenEye/OEToolkits 1.4.2 10228 ZN
[Zn+2] SMILES_CANONICAL OpenEye/OEToolkits 1.4.2 10228 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(+2) cation' 'SYSTEMATIC NAME' OpenEye/Lexichem 1.4 10228 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 . . . . . . . . . . . . . . . 10228 ZN
stop_
save_
#####################################
# Sample contents and methodology #
#####################################
########################
# Sample description #
########################
save_sample_1
_Sample.Sf_category sample
_Sample.Sf_framecode sample_1
_Sample.Entry_ID 10228
_Sample.ID 1
_Sample.Type solution
_Sample.Sub_type .
_Sample.Details .
_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-C2H2 '[U-13C; U-15N]' . . 1 $entity_1 . protein 1.0 . . mM 0.1 . . . 10228 1
2 d-Tris-HCl . . . . . . buffer 20 . . mM . . . . 10228 1
3 NaCl . . . . . . salt 100 . . mM . . . . 10228 1
4 ZnCl2 . . . . . . salt 0.05 . . mM . . . . 10228 1
5 IDA . . . . . . salt 1 . . mM . . . . 10228 1
6 d-DTT . . . . . . salt 1 . . mM . . . . 10228 1
7 NaN3 . . . . . . salt 0.02 . . % . . . . 10228 1
8 H2O . . . . . . solvent 90 . . % . . . . 10228 1
9 D2O . . . . . . solvent 10 . . % . . . . 10228 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 10228
_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 10228 1
pH 7.0 0.05 pH 10228 1
pressure 1 0.001 atm 10228 1
temperature 296 0.1 K 10228 1
stop_
save_
############################
# Computer software used #
############################
save_software_1
_Software.Sf_category software
_Software.Sf_framecode software_1
_Software.Entry_ID 10228
_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 . . 10228 1
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
collection 10228 1
stop_
save_
save_software_2
_Software.Sf_category software
_Software.Sf_framecode software_2
_Software.Entry_ID 10228
_Software.ID 2
_Software.Name NMRPipe
_Software.Version 20030801
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Delaglio, F' . . 10228 2
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
processing 10228 2
stop_
save_
save_software_3
_Software.Sf_category software
_Software.Sf_framecode software_3
_Software.Entry_ID 10228
_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.' . . 10228 3
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 10228 3
stop_
save_
save_software_4
_Software.Sf_category software
_Software.Sf_framecode software_4
_Software.Entry_ID 10228
_Software.ID 4
_Software.Name Kujira
_Software.Version 0.9820
_Software.Details .
loop_
_Vendor.Name
_Vendor.Address
_Vendor.Electronic_address
_Vendor.Entry_ID
_Vendor.Software_ID
'Kobayashi, N.' . . 10228 4
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
'data analysis' 10228 4
stop_
save_
save_software_5
_Software.Sf_category software
_Software.Sf_framecode software_5
_Software.Entry_ID 10228
_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
'Guentert, P.' . . 10228 5
stop_
loop_
_Task.Task
_Task.Entry_ID
_Task.Software_ID
refinement 10228 5
'structure solution' 10228 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 10228
_NMR_spectrometer.ID 1
_NMR_spectrometer.Details .
_NMR_spectrometer.Manufacturer Bruker
_NMR_spectrometer.Model AVANCE
_NMR_spectrometer.Serial_number .
_NMR_spectrometer.Field_strength 800
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 10228
_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 . 800 . . . 10228 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 10228
_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 13C-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10228 1
2 '3D 15N-separated NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $condition_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 10228 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 10228
_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 . . . . . . . . . 10228 1
H 1 DSS 'methyl protons' . . . . ppm 0.0 . indirect 1.0 . . . . . . . . . 10228 1
N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 10228 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 10228
_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 13C-separated NOESY' 1 $sample_1 isotropic 10228 1
2 '3D 15N-separated NOESY' 1 $sample_1 isotropic 10228 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 8 8 SER HA H 1 4.438 0.030 . 1 . . . . 8 SER HA . 10228 1
2 . 1 1 8 8 SER HB2 H 1 3.860 0.030 . 1 . . . . 8 SER HB2 . 10228 1
3 . 1 1 8 8 SER HB3 H 1 3.860 0.030 . 1 . . . . 8 SER HB3 . 10228 1
4 . 1 1 8 8 SER CA C 13 58.600 0.300 . 1 . . . . 8 SER CA . 10228 1
5 . 1 1 8 8 SER CB C 13 63.792 0.300 . 1 . . . . 8 SER CB . 10228 1
6 . 1 1 9 9 GLY H H 1 8.454 0.030 . 1 . . . . 9 GLY H . 10228 1
7 . 1 1 9 9 GLY HA2 H 1 3.938 0.030 . 1 . . . . 9 GLY HA2 . 10228 1
8 . 1 1 9 9 GLY HA3 H 1 3.938 0.030 . 1 . . . . 9 GLY HA3 . 10228 1
9 . 1 1 9 9 GLY CA C 13 45.227 0.300 . 1 . . . . 9 GLY CA . 10228 1
10 . 1 1 9 9 GLY N N 15 110.842 0.300 . 1 . . . . 9 GLY N . 10228 1
11 . 1 1 10 10 GLU H H 1 8.211 0.030 . 1 . . . . 10 GLU H . 10228 1
12 . 1 1 10 10 GLU HA H 1 4.206 0.030 . 1 . . . . 10 GLU HA . 10228 1
13 . 1 1 10 10 GLU HB2 H 1 1.975 0.030 . 2 . . . . 10 GLU HB2 . 10228 1
14 . 1 1 10 10 GLU HB3 H 1 1.889 0.030 . 2 . . . . 10 GLU HB3 . 10228 1
15 . 1 1 10 10 GLU HG2 H 1 2.249 0.030 . 2 . . . . 10 GLU HG2 . 10228 1
16 . 1 1 10 10 GLU HG3 H 1 2.195 0.030 . 2 . . . . 10 GLU HG3 . 10228 1
17 . 1 1 10 10 GLU CA C 13 56.709 0.300 . 1 . . . . 10 GLU CA . 10228 1
18 . 1 1 10 10 GLU CB C 13 30.317 0.300 . 1 . . . . 10 GLU CB . 10228 1
19 . 1 1 10 10 GLU CG C 13 36.263 0.300 . 1 . . . . 10 GLU CG . 10228 1
20 . 1 1 10 10 GLU N N 15 120.029 0.300 . 1 . . . . 10 GLU N . 10228 1
21 . 1 1 11 11 ARG HA H 1 4.425 0.030 . 1 . . . . 11 ARG HA . 10228 1
22 . 1 1 11 11 ARG HB2 H 1 1.546 0.030 . 2 . . . . 11 ARG HB2 . 10228 1
23 . 1 1 11 11 ARG HB3 H 1 1.411 0.030 . 2 . . . . 11 ARG HB3 . 10228 1
24 . 1 1 11 11 ARG HD2 H 1 3.022 0.030 . 2 . . . . 11 ARG HD2 . 10228 1
25 . 1 1 11 11 ARG HD3 H 1 2.928 0.030 . 2 . . . . 11 ARG HD3 . 10228 1
26 . 1 1 11 11 ARG HG2 H 1 1.485 0.030 . 2 . . . . 11 ARG HG2 . 10228 1
27 . 1 1 11 11 ARG HG3 H 1 1.351 0.030 . 2 . . . . 11 ARG HG3 . 10228 1
28 . 1 1 11 11 ARG CA C 13 53.417 0.300 . 1 . . . . 11 ARG CA . 10228 1
29 . 1 1 11 11 ARG CB C 13 29.953 0.300 . 1 . . . . 11 ARG CB . 10228 1
30 . 1 1 11 11 ARG CD C 13 43.356 0.300 . 1 . . . . 11 ARG CD . 10228 1
31 . 1 1 11 11 ARG CG C 13 27.033 0.300 . 1 . . . . 11 ARG CG . 10228 1
32 . 1 1 11 11 ARG N N 15 117.766 0.300 . 1 . . . . 11 ARG N . 10228 1
33 . 1 1 12 12 PRO HA H 1 4.203 0.030 . 1 . . . . 12 PRO HA . 10228 1
34 . 1 1 12 12 PRO HB2 H 1 1.967 0.030 . 2 . . . . 12 PRO HB2 . 10228 1
35 . 1 1 12 12 PRO HB3 H 1 1.221 0.030 . 2 . . . . 12 PRO HB3 . 10228 1
36 . 1 1 12 12 PRO HD2 H 1 3.630 0.030 . 2 . . . . 12 PRO HD2 . 10228 1
37 . 1 1 12 12 PRO HD3 H 1 3.521 0.030 . 2 . . . . 12 PRO HD3 . 10228 1
38 . 1 1 12 12 PRO HG2 H 1 1.786 0.030 . 2 . . . . 12 PRO HG2 . 10228 1
39 . 1 1 12 12 PRO HG3 H 1 1.480 0.030 . 2 . . . . 12 PRO HG3 . 10228 1
40 . 1 1 12 12 PRO C C 13 176.483 0.300 . 1 . . . . 12 PRO C . 10228 1
41 . 1 1 12 12 PRO CA C 13 63.898 0.300 . 1 . . . . 12 PRO CA . 10228 1
42 . 1 1 12 12 PRO CB C 13 32.127 0.300 . 1 . . . . 12 PRO CB . 10228 1
43 . 1 1 12 12 PRO CD C 13 50.380 0.300 . 1 . . . . 12 PRO CD . 10228 1
44 . 1 1 12 12 PRO CG C 13 26.584 0.300 . 1 . . . . 12 PRO CG . 10228 1
45 . 1 1 13 13 PHE H H 1 7.791 0.030 . 1 . . . . 13 PHE H . 10228 1
46 . 1 1 13 13 PHE HA H 1 4.757 0.030 . 1 . . . . 13 PHE HA . 10228 1
47 . 1 1 13 13 PHE HB2 H 1 3.059 0.030 . 2 . . . . 13 PHE HB2 . 10228 1
48 . 1 1 13 13 PHE HB3 H 1 2.857 0.030 . 2 . . . . 13 PHE HB3 . 10228 1
49 . 1 1 13 13 PHE HD1 H 1 7.094 0.030 . 1 . . . . 13 PHE HD1 . 10228 1
50 . 1 1 13 13 PHE HD2 H 1 7.094 0.030 . 1 . . . . 13 PHE HD2 . 10228 1
51 . 1 1 13 13 PHE HE1 H 1 7.366 0.030 . 1 . . . . 13 PHE HE1 . 10228 1
52 . 1 1 13 13 PHE HE2 H 1 7.366 0.030 . 1 . . . . 13 PHE HE2 . 10228 1
53 . 1 1 13 13 PHE HZ H 1 7.358 0.030 . 1 . . . . 13 PHE HZ . 10228 1
54 . 1 1 13 13 PHE C C 13 174.511 0.300 . 1 . . . . 13 PHE C . 10228 1
55 . 1 1 13 13 PHE CA C 13 56.893 0.300 . 1 . . . . 13 PHE CA . 10228 1
56 . 1 1 13 13 PHE CB C 13 39.090 0.300 . 1 . . . . 13 PHE CB . 10228 1
57 . 1 1 13 13 PHE CD1 C 13 131.568 0.300 . 1 . . . . 13 PHE CD1 . 10228 1
58 . 1 1 13 13 PHE CD2 C 13 131.568 0.300 . 1 . . . . 13 PHE CD2 . 10228 1
59 . 1 1 13 13 PHE CE1 C 13 131.515 0.300 . 1 . . . . 13 PHE CE1 . 10228 1
60 . 1 1 13 13 PHE CE2 C 13 131.515 0.300 . 1 . . . . 13 PHE CE2 . 10228 1
61 . 1 1 13 13 PHE CZ C 13 130.152 0.300 . 1 . . . . 13 PHE CZ . 10228 1
62 . 1 1 13 13 PHE N N 15 118.173 0.300 . 1 . . . . 13 PHE N . 10228 1
63 . 1 1 14 14 LYS H H 1 8.611 0.030 . 1 . . . . 14 LYS H . 10228 1
64 . 1 1 14 14 LYS HA H 1 5.071 0.030 . 1 . . . . 14 LYS HA . 10228 1
65 . 1 1 14 14 LYS HB2 H 1 1.658 0.030 . 2 . . . . 14 LYS HB2 . 10228 1
66 . 1 1 14 14 LYS HB3 H 1 1.599 0.030 . 2 . . . . 14 LYS HB3 . 10228 1
67 . 1 1 14 14 LYS HD2 H 1 1.552 0.030 . 1 . . . . 14 LYS HD2 . 10228 1
68 . 1 1 14 14 LYS HD3 H 1 1.552 0.030 . 1 . . . . 14 LYS HD3 . 10228 1
69 . 1 1 14 14 LYS HE2 H 1 2.938 0.030 . 1 . . . . 14 LYS HE2 . 10228 1
70 . 1 1 14 14 LYS HE3 H 1 2.938 0.030 . 1 . . . . 14 LYS HE3 . 10228 1
71 . 1 1 14 14 LYS HG2 H 1 1.240 0.030 . 2 . . . . 14 LYS HG2 . 10228 1
72 . 1 1 14 14 LYS HG3 H 1 1.193 0.030 . 2 . . . . 14 LYS HG3 . 10228 1
73 . 1 1 14 14 LYS C C 13 175.322 0.300 . 1 . . . . 14 LYS C . 10228 1
74 . 1 1 14 14 LYS CA C 13 55.006 0.300 . 1 . . . . 14 LYS CA . 10228 1
75 . 1 1 14 14 LYS CB C 13 35.258 0.300 . 1 . . . . 14 LYS CB . 10228 1
76 . 1 1 14 14 LYS CD C 13 29.165 0.300 . 1 . . . . 14 LYS CD . 10228 1
77 . 1 1 14 14 LYS CE C 13 42.141 0.300 . 1 . . . . 14 LYS CE . 10228 1
78 . 1 1 14 14 LYS CG C 13 24.688 0.300 . 1 . . . . 14 LYS CG . 10228 1
79 . 1 1 14 14 LYS N N 15 124.455 0.300 . 1 . . . . 14 LYS N . 10228 1
80 . 1 1 15 15 CYS H H 1 9.115 0.030 . 1 . . . . 15 CYS H . 10228 1
81 . 1 1 15 15 CYS HA H 1 4.549 0.030 . 1 . . . . 15 CYS HA . 10228 1
82 . 1 1 15 15 CYS HB2 H 1 3.377 0.030 . 2 . . . . 15 CYS HB2 . 10228 1
83 . 1 1 15 15 CYS HB3 H 1 2.858 0.030 . 2 . . . . 15 CYS HB3 . 10228 1
84 . 1 1 15 15 CYS C C 13 177.457 0.300 . 1 . . . . 15 CYS C . 10228 1
85 . 1 1 15 15 CYS CA C 13 59.450 0.300 . 1 . . . . 15 CYS CA . 10228 1
86 . 1 1 15 15 CYS CB C 13 29.959 0.300 . 1 . . . . 15 CYS CB . 10228 1
87 . 1 1 15 15 CYS N N 15 125.796 0.300 . 1 . . . . 15 CYS N . 10228 1
88 . 1 1 16 16 ASN H H 1 9.439 0.030 . 1 . . . . 16 ASN H . 10228 1
89 . 1 1 16 16 ASN HA H 1 4.552 0.030 . 1 . . . . 16 ASN HA . 10228 1
90 . 1 1 16 16 ASN HB2 H 1 2.886 0.030 . 1 . . . . 16 ASN HB2 . 10228 1
91 . 1 1 16 16 ASN HB3 H 1 2.886 0.030 . 1 . . . . 16 ASN HB3 . 10228 1
92 . 1 1 16 16 ASN HD21 H 1 7.692 0.030 . 2 . . . . 16 ASN HD21 . 10228 1
93 . 1 1 16 16 ASN HD22 H 1 6.966 0.030 . 2 . . . . 16 ASN HD22 . 10228 1
94 . 1 1 16 16 ASN C C 13 175.327 0.300 . 1 . . . . 16 ASN C . 10228 1
95 . 1 1 16 16 ASN CA C 13 55.429 0.300 . 1 . . . . 16 ASN CA . 10228 1
96 . 1 1 16 16 ASN CB C 13 38.518 0.300 . 1 . . . . 16 ASN CB . 10228 1
97 . 1 1 16 16 ASN N N 15 130.041 0.300 . 1 . . . . 16 ASN N . 10228 1
98 . 1 1 16 16 ASN ND2 N 15 113.352 0.300 . 1 . . . . 16 ASN ND2 . 10228 1
99 . 1 1 17 17 GLU H H 1 9.013 0.030 . 1 . . . . 17 GLU H . 10228 1
100 . 1 1 17 17 GLU HA H 1 4.244 0.030 . 1 . . . . 17 GLU HA . 10228 1
101 . 1 1 17 17 GLU HB2 H 1 1.422 0.030 . 2 . . . . 17 GLU HB2 . 10228 1
102 . 1 1 17 17 GLU HB3 H 1 1.366 0.030 . 2 . . . . 17 GLU HB3 . 10228 1
103 . 1 1 17 17 GLU HG2 H 1 1.891 0.030 . 2 . . . . 17 GLU HG2 . 10228 1
104 . 1 1 17 17 GLU HG3 H 1 1.792 0.030 . 2 . . . . 17 GLU HG3 . 10228 1
105 . 1 1 17 17 GLU C C 13 177.345 0.300 . 1 . . . . 17 GLU C . 10228 1
106 . 1 1 17 17 GLU CA C 13 58.195 0.300 . 1 . . . . 17 GLU CA . 10228 1
107 . 1 1 17 17 GLU CB C 13 29.394 0.300 . 1 . . . . 17 GLU CB . 10228 1
108 . 1 1 17 17 GLU CG C 13 35.340 0.300 . 1 . . . . 17 GLU CG . 10228 1
109 . 1 1 17 17 GLU N N 15 121.584 0.300 . 1 . . . . 17 GLU N . 10228 1
110 . 1 1 18 18 CYS H H 1 8.410 0.030 . 1 . . . . 18 CYS H . 10228 1
111 . 1 1 18 18 CYS HA H 1 5.193 0.030 . 1 . . . . 18 CYS HA . 10228 1
112 . 1 1 18 18 CYS HB2 H 1 3.449 0.030 . 2 . . . . 18 CYS HB2 . 10228 1
113 . 1 1 18 18 CYS HB3 H 1 2.879 0.030 . 2 . . . . 18 CYS HB3 . 10228 1
114 . 1 1 18 18 CYS C C 13 176.413 0.300 . 1 . . . . 18 CYS C . 10228 1
115 . 1 1 18 18 CYS CA C 13 58.391 0.300 . 1 . . . . 18 CYS CA . 10228 1
116 . 1 1 18 18 CYS CB C 13 32.346 0.300 . 1 . . . . 18 CYS CB . 10228 1
117 . 1 1 18 18 CYS N N 15 116.182 0.300 . 1 . . . . 18 CYS N . 10228 1
118 . 1 1 19 19 GLY H H 1 8.045 0.030 . 1 . . . . 19 GLY H . 10228 1
119 . 1 1 19 19 GLY HA2 H 1 4.260 0.030 . 2 . . . . 19 GLY HA2 . 10228 1
120 . 1 1 19 19 GLY HA3 H 1 3.829 0.030 . 2 . . . . 19 GLY HA3 . 10228 1
121 . 1 1 19 19 GLY C C 13 173.661 0.300 . 1 . . . . 19 GLY C . 10228 1
122 . 1 1 19 19 GLY CA C 13 46.298 0.300 . 1 . . . . 19 GLY CA . 10228 1
123 . 1 1 19 19 GLY N N 15 113.361 0.300 . 1 . . . . 19 GLY N . 10228 1
124 . 1 1 20 20 LYS H H 1 7.930 0.030 . 1 . . . . 20 LYS H . 10228 1
125 . 1 1 20 20 LYS HA H 1 3.967 0.030 . 1 . . . . 20 LYS HA . 10228 1
126 . 1 1 20 20 LYS HB2 H 1 1.254 0.030 . 2 . . . . 20 LYS HB2 . 10228 1
127 . 1 1 20 20 LYS HB3 H 1 1.499 0.030 . 2 . . . . 20 LYS HB3 . 10228 1
128 . 1 1 20 20 LYS HD2 H 1 1.547 0.030 . 2 . . . . 20 LYS HD2 . 10228 1
129 . 1 1 20 20 LYS HD3 H 1 1.454 0.030 . 2 . . . . 20 LYS HD3 . 10228 1
130 . 1 1 20 20 LYS HE2 H 1 2.973 0.030 . 2 . . . . 20 LYS HE2 . 10228 1
131 . 1 1 20 20 LYS HE3 H 1 2.906 0.030 . 2 . . . . 20 LYS HE3 . 10228 1
132 . 1 1 20 20 LYS HG2 H 1 1.412 0.030 . 2 . . . . 20 LYS HG2 . 10228 1
133 . 1 1 20 20 LYS HG3 H 1 1.053 0.030 . 2 . . . . 20 LYS HG3 . 10228 1
134 . 1 1 20 20 LYS C C 13 174.605 0.300 . 1 . . . . 20 LYS C . 10228 1
135 . 1 1 20 20 LYS CA C 13 58.241 0.300 . 1 . . . . 20 LYS CA . 10228 1
136 . 1 1 20 20 LYS CB C 13 33.836 0.300 . 1 . . . . 20 LYS CB . 10228 1
137 . 1 1 20 20 LYS CD C 13 29.405 0.300 . 1 . . . . 20 LYS CD . 10228 1
138 . 1 1 20 20 LYS CE C 13 42.168 0.300 . 1 . . . . 20 LYS CE . 10228 1
139 . 1 1 20 20 LYS CG C 13 26.125 0.300 . 1 . . . . 20 LYS CG . 10228 1
140 . 1 1 20 20 LYS N N 15 123.055 0.300 . 1 . . . . 20 LYS N . 10228 1
141 . 1 1 21 21 GLY H H 1 8.013 0.030 . 1 . . . . 21 GLY H . 10228 1
142 . 1 1 21 21 GLY HA2 H 1 4.880 0.030 . 2 . . . . 21 GLY HA2 . 10228 1
143 . 1 1 21 21 GLY HA3 H 1 3.336 0.030 . 2 . . . . 21 GLY HA3 . 10228 1
144 . 1 1 21 21 GLY CA C 13 44.008 0.300 . 1 . . . . 21 GLY CA . 10228 1
145 . 1 1 21 21 GLY N N 15 108.426 0.300 . 1 . . . . 21 GLY N . 10228 1
146 . 1 1 22 22 PHE H H 1 8.731 0.030 . 1 . . . . 22 PHE H . 10228 1
147 . 1 1 22 22 PHE HA H 1 4.731 0.030 . 1 . . . . 22 PHE HA . 10228 1
148 . 1 1 22 22 PHE HB2 H 1 3.468 0.030 . 2 . . . . 22 PHE HB2 . 10228 1
149 . 1 1 22 22 PHE HB3 H 1 2.814 0.030 . 2 . . . . 22 PHE HB3 . 10228 1
150 . 1 1 22 22 PHE HD1 H 1 7.283 0.030 . 1 . . . . 22 PHE HD1 . 10228 1
151 . 1 1 22 22 PHE HD2 H 1 7.283 0.030 . 1 . . . . 22 PHE HD2 . 10228 1
152 . 1 1 22 22 PHE HE1 H 1 6.826 0.030 . 1 . . . . 22 PHE HE1 . 10228 1
153 . 1 1 22 22 PHE HE2 H 1 6.826 0.030 . 1 . . . . 22 PHE HE2 . 10228 1
154 . 1 1 22 22 PHE HZ H 1 6.214 0.030 . 1 . . . . 22 PHE HZ . 10228 1
155 . 1 1 22 22 PHE CA C 13 57.510 0.300 . 1 . . . . 22 PHE CA . 10228 1
156 . 1 1 22 22 PHE CB C 13 44.105 0.300 . 1 . . . . 22 PHE CB . 10228 1
157 . 1 1 22 22 PHE CD1 C 13 132.340 0.300 . 1 . . . . 22 PHE CD1 . 10228 1
158 . 1 1 22 22 PHE CD2 C 13 132.340 0.300 . 1 . . . . 22 PHE CD2 . 10228 1
159 . 1 1 22 22 PHE CE1 C 13 130.761 0.300 . 1 . . . . 22 PHE CE1 . 10228 1
160 . 1 1 22 22 PHE CE2 C 13 130.761 0.300 . 1 . . . . 22 PHE CE2 . 10228 1
161 . 1 1 22 22 PHE CZ C 13 128.667 0.300 . 1 . . . . 22 PHE CZ . 10228 1
162 . 1 1 22 22 PHE N N 15 117.792 0.300 . 1 . . . . 22 PHE N . 10228 1
163 . 1 1 23 23 GLY HA2 H 1 4.454 0.030 . 2 . . . . 23 GLY HA2 . 10228 1
164 . 1 1 23 23 GLY HA3 H 1 4.094 0.030 . 2 . . . . 23 GLY HA3 . 10228 1
165 . 1 1 23 23 GLY CA C 13 45.710 0.300 . 1 . . . . 23 GLY CA . 10228 1
166 . 1 1 23 23 GLY N N 15 109.000 0.300 . 1 . . . . 23 GLY N . 10228 1
167 . 1 1 24 24 ARG H H 1 7.197 0.030 . 1 . . . . 24 ARG H . 10228 1
168 . 1 1 24 24 ARG HA H 1 4.743 0.030 . 1 . . . . 24 ARG HA . 10228 1
169 . 1 1 24 24 ARG HB2 H 1 1.707 0.030 . 2 . . . . 24 ARG HB2 . 10228 1
170 . 1 1 24 24 ARG HB3 H 1 0.892 0.030 . 2 . . . . 24 ARG HB3 . 10228 1
171 . 1 1 24 24 ARG HD2 H 1 3.006 0.030 . 2 . . . . 24 ARG HD2 . 10228 1
172 . 1 1 24 24 ARG HD3 H 1 2.896 0.030 . 2 . . . . 24 ARG HD3 . 10228 1
173 . 1 1 24 24 ARG HG2 H 1 1.456 0.030 . 1 . . . . 24 ARG HG2 . 10228 1
174 . 1 1 24 24 ARG HG3 H 1 1.456 0.030 . 1 . . . . 24 ARG HG3 . 10228 1
175 . 1 1 24 24 ARG CA C 13 53.655 0.300 . 1 . . . . 24 ARG CA . 10228 1
176 . 1 1 24 24 ARG CB C 13 33.460 0.300 . 1 . . . . 24 ARG CB . 10228 1
177 . 1 1 24 24 ARG CD C 13 43.183 0.300 . 1 . . . . 24 ARG CD . 10228 1
178 . 1 1 24 24 ARG CG C 13 26.772 0.300 . 1 . . . . 24 ARG CG . 10228 1
179 . 1 1 24 24 ARG N N 15 114.927 0.300 . 1 . . . . 24 ARG N . 10228 1
180 . 1 1 25 25 ARG HA H 1 2.980 0.030 . 1 . . . . 25 ARG HA . 10228 1
181 . 1 1 25 25 ARG HB2 H 1 1.453 0.030 . 2 . . . . 25 ARG HB2 . 10228 1
182 . 1 1 25 25 ARG HB3 H 1 1.259 0.030 . 2 . . . . 25 ARG HB3 . 10228 1
183 . 1 1 25 25 ARG HD2 H 1 3.056 0.030 . 2 . . . . 25 ARG HD2 . 10228 1
184 . 1 1 25 25 ARG HD3 H 1 3.016 0.030 . 2 . . . . 25 ARG HD3 . 10228 1
185 . 1 1 25 25 ARG HG2 H 1 1.132 0.030 . 1 . . . . 25 ARG HG2 . 10228 1
186 . 1 1 25 25 ARG HG3 H 1 1.132 0.030 . 1 . . . . 25 ARG HG3 . 10228 1
187 . 1 1 25 25 ARG CA C 13 59.693 0.300 . 1 . . . . 25 ARG CA . 10228 1
188 . 1 1 25 25 ARG CB C 13 29.253 0.300 . 1 . . . . 25 ARG CB . 10228 1
189 . 1 1 25 25 ARG CD C 13 43.009 0.300 . 1 . . . . 25 ARG CD . 10228 1
190 . 1 1 25 25 ARG CG C 13 27.386 0.300 . 1 . . . . 25 ARG CG . 10228 1
191 . 1 1 26 26 SER HA H 1 4.092 0.030 . 1 . . . . 26 SER HA . 10228 1
192 . 1 1 26 26 SER HB2 H 1 3.873 0.030 . 2 . . . . 26 SER HB2 . 10228 1
193 . 1 1 26 26 SER HB3 H 1 3.817 0.030 . 2 . . . . 26 SER HB3 . 10228 1
194 . 1 1 26 26 SER C C 13 177.471 0.300 . 1 . . . . 26 SER C . 10228 1
195 . 1 1 26 26 SER CA C 13 60.832 0.300 . 1 . . . . 26 SER CA . 10228 1
196 . 1 1 26 26 SER CB C 13 61.616 0.300 . 1 . . . . 26 SER CB . 10228 1
197 . 1 1 26 26 SER N N 15 120.568 0.300 . 1 . . . . 26 SER N . 10228 1
198 . 1 1 27 27 HIS H H 1 6.799 0.030 . 1 . . . . 27 HIS H . 10228 1
199 . 1 1 27 27 HIS HA H 1 4.556 0.030 . 1 . . . . 27 HIS HA . 10228 1
200 . 1 1 27 27 HIS HB2 H 1 3.360 0.030 . 2 . . . . 27 HIS HB2 . 10228 1
201 . 1 1 27 27 HIS HB3 H 1 3.272 0.030 . 2 . . . . 27 HIS HB3 . 10228 1
202 . 1 1 27 27 HIS HD2 H 1 6.972 0.030 . 1 . . . . 27 HIS HD2 . 10228 1
203 . 1 1 27 27 HIS HE1 H 1 7.833 0.030 . 1 . . . . 27 HIS HE1 . 10228 1
204 . 1 1 27 27 HIS C C 13 178.281 0.300 . 1 . . . . 27 HIS C . 10228 1
205 . 1 1 27 27 HIS CA C 13 56.589 0.300 . 1 . . . . 27 HIS CA . 10228 1
206 . 1 1 27 27 HIS CB C 13 31.722 0.300 . 1 . . . . 27 HIS CB . 10228 1
207 . 1 1 27 27 HIS CD2 C 13 116.737 0.300 . 1 . . . . 27 HIS CD2 . 10228 1
208 . 1 1 27 27 HIS CE1 C 13 139.045 0.300 . 1 . . . . 27 HIS CE1 . 10228 1
209 . 1 1 27 27 HIS N N 15 122.717 0.300 . 1 . . . . 27 HIS N . 10228 1
210 . 1 1 28 28 LEU H H 1 7.026 0.030 . 1 . . . . 28 LEU H . 10228 1
211 . 1 1 28 28 LEU HA H 1 3.249 0.030 . 1 . . . . 28 LEU HA . 10228 1
212 . 1 1 28 28 LEU HB2 H 1 1.904 0.030 . 2 . . . . 28 LEU HB2 . 10228 1
213 . 1 1 28 28 LEU HB3 H 1 1.273 0.030 . 2 . . . . 28 LEU HB3 . 10228 1
214 . 1 1 28 28 LEU HD11 H 1 1.015 0.030 . 1 . . . . 28 LEU HD1 . 10228 1
215 . 1 1 28 28 LEU HD12 H 1 1.015 0.030 . 1 . . . . 28 LEU HD1 . 10228 1
216 . 1 1 28 28 LEU HD13 H 1 1.015 0.030 . 1 . . . . 28 LEU HD1 . 10228 1
217 . 1 1 28 28 LEU HD21 H 1 1.006 0.030 . 1 . . . . 28 LEU HD2 . 10228 1
218 . 1 1 28 28 LEU HD22 H 1 1.006 0.030 . 1 . . . . 28 LEU HD2 . 10228 1
219 . 1 1 28 28 LEU HD23 H 1 1.006 0.030 . 1 . . . . 28 LEU HD2 . 10228 1
220 . 1 1 28 28 LEU HG H 1 1.576 0.030 . 1 . . . . 28 LEU HG . 10228 1
221 . 1 1 28 28 LEU C C 13 177.146 0.300 . 1 . . . . 28 LEU C . 10228 1
222 . 1 1 28 28 LEU CA C 13 57.742 0.300 . 1 . . . . 28 LEU CA . 10228 1
223 . 1 1 28 28 LEU CB C 13 40.422 0.300 . 1 . . . . 28 LEU CB . 10228 1
224 . 1 1 28 28 LEU CD1 C 13 26.512 0.300 . 2 . . . . 28 LEU CD1 . 10228 1
225 . 1 1 28 28 LEU CD2 C 13 22.504 0.300 . 2 . . . . 28 LEU CD2 . 10228 1
226 . 1 1 28 28 LEU CG C 13 27.293 0.300 . 1 . . . . 28 LEU CG . 10228 1
227 . 1 1 28 28 LEU N N 15 121.528 0.300 . 1 . . . . 28 LEU N . 10228 1
228 . 1 1 29 29 ALA H H 1 8.188 0.030 . 1 . . . . 29 ALA H . 10228 1
229 . 1 1 29 29 ALA HA H 1 3.979 0.030 . 1 . . . . 29 ALA HA . 10228 1
230 . 1 1 29 29 ALA HB1 H 1 1.396 0.030 . 1 . . . . 29 ALA HB . 10228 1
231 . 1 1 29 29 ALA HB2 H 1 1.396 0.030 . 1 . . . . 29 ALA HB . 10228 1
232 . 1 1 29 29 ALA HB3 H 1 1.396 0.030 . 1 . . . . 29 ALA HB . 10228 1
233 . 1 1 29 29 ALA C C 13 180.981 0.300 . 1 . . . . 29 ALA C . 10228 1
234 . 1 1 29 29 ALA CA C 13 55.545 0.300 . 1 . . . . 29 ALA CA . 10228 1
235 . 1 1 29 29 ALA CB C 13 17.763 0.300 . 1 . . . . 29 ALA CB . 10228 1
236 . 1 1 29 29 ALA N N 15 120.526 0.300 . 1 . . . . 29 ALA N . 10228 1
237 . 1 1 30 30 GLY H H 1 7.724 0.030 . 1 . . . . 30 GLY H . 10228 1
238 . 1 1 30 30 GLY HA2 H 1 3.886 0.030 . 2 . . . . 30 GLY HA2 . 10228 1
239 . 1 1 30 30 GLY HA3 H 1 3.785 0.030 . 2 . . . . 30 GLY HA3 . 10228 1
240 . 1 1 30 30 GLY C C 13 175.878 0.300 . 1 . . . . 30 GLY C . 10228 1
241 . 1 1 30 30 GLY CA C 13 46.909 0.300 . 1 . . . . 30 GLY CA . 10228 1
242 . 1 1 30 30 GLY N N 15 103.375 0.300 . 1 . . . . 30 GLY N . 10228 1
243 . 1 1 31 31 HIS H H 1 7.499 0.030 . 1 . . . . 31 HIS H . 10228 1
244 . 1 1 31 31 HIS HA H 1 4.195 0.030 . 1 . . . . 31 HIS HA . 10228 1
245 . 1 1 31 31 HIS HB2 H 1 2.794 0.030 . 2 . . . . 31 HIS HB2 . 10228 1
246 . 1 1 31 31 HIS HB3 H 1 3.167 0.030 . 2 . . . . 31 HIS HB3 . 10228 1
247 . 1 1 31 31 HIS HD2 H 1 7.029 0.030 . 1 . . . . 31 HIS HD2 . 10228 1
248 . 1 1 31 31 HIS HE1 H 1 8.017 0.030 . 1 . . . . 31 HIS HE1 . 10228 1
249 . 1 1 31 31 HIS C C 13 176.680 0.300 . 1 . . . . 31 HIS C . 10228 1
250 . 1 1 31 31 HIS CA C 13 59.232 0.300 . 1 . . . . 31 HIS CA . 10228 1
251 . 1 1 31 31 HIS CB C 13 28.775 0.300 . 1 . . . . 31 HIS CB . 10228 1
252 . 1 1 31 31 HIS CD2 C 13 127.363 0.300 . 1 . . . . 31 HIS CD2 . 10228 1
253 . 1 1 31 31 HIS CE1 C 13 139.481 0.300 . 1 . . . . 31 HIS CE1 . 10228 1
254 . 1 1 31 31 HIS N N 15 122.268 0.300 . 1 . . . . 31 HIS N . 10228 1
255 . 1 1 32 32 LEU H H 1 8.464 0.030 . 1 . . . . 32 LEU H . 10228 1
256 . 1 1 32 32 LEU HA H 1 3.900 0.030 . 1 . . . . 32 LEU HA . 10228 1
257 . 1 1 32 32 LEU HB2 H 1 1.914 0.030 . 2 . . . . 32 LEU HB2 . 10228 1
258 . 1 1 32 32 LEU HB3 H 1 1.572 0.030 . 2 . . . . 32 LEU HB3 . 10228 1
259 . 1 1 32 32 LEU HD11 H 1 1.024 0.030 . 1 . . . . 32 LEU HD1 . 10228 1
260 . 1 1 32 32 LEU HD12 H 1 1.024 0.030 . 1 . . . . 32 LEU HD1 . 10228 1
261 . 1 1 32 32 LEU HD13 H 1 1.024 0.030 . 1 . . . . 32 LEU HD1 . 10228 1
262 . 1 1 32 32 LEU HD21 H 1 1.281 0.030 . 1 . . . . 32 LEU HD2 . 10228 1
263 . 1 1 32 32 LEU HD22 H 1 1.281 0.030 . 1 . . . . 32 LEU HD2 . 10228 1
264 . 1 1 32 32 LEU HD23 H 1 1.281 0.030 . 1 . . . . 32 LEU HD2 . 10228 1
265 . 1 1 32 32 LEU HG H 1 2.004 0.030 . 1 . . . . 32 LEU HG . 10228 1
266 . 1 1 32 32 LEU C C 13 179.964 0.300 . 1 . . . . 32 LEU C . 10228 1
267 . 1 1 32 32 LEU CA C 13 58.183 0.300 . 1 . . . . 32 LEU CA . 10228 1
268 . 1 1 32 32 LEU CB C 13 41.777 0.300 . 1 . . . . 32 LEU CB . 10228 1
269 . 1 1 32 32 LEU CD1 C 13 25.643 0.300 . 2 . . . . 32 LEU CD1 . 10228 1
270 . 1 1 32 32 LEU CD2 C 13 24.653 0.300 . 2 . . . . 32 LEU CD2 . 10228 1
271 . 1 1 32 32 LEU CG C 13 27.119 0.300 . 1 . . . . 32 LEU CG . 10228 1
272 . 1 1 32 32 LEU N N 15 118.124 0.300 . 1 . . . . 32 LEU N . 10228 1
273 . 1 1 33 33 ARG H H 1 7.236 0.030 . 1 . . . . 33 ARG H . 10228 1
274 . 1 1 33 33 ARG HA H 1 4.097 0.030 . 1 . . . . 33 ARG HA . 10228 1
275 . 1 1 33 33 ARG HB2 H 1 1.890 0.030 . 1 . . . . 33 ARG HB2 . 10228 1
276 . 1 1 33 33 ARG HB3 H 1 1.890 0.030 . 1 . . . . 33 ARG HB3 . 10228 1
277 . 1 1 33 33 ARG HD2 H 1 3.228 0.030 . 1 . . . . 33 ARG HD2 . 10228 1
278 . 1 1 33 33 ARG HD3 H 1 3.228 0.030 . 1 . . . . 33 ARG HD3 . 10228 1
279 . 1 1 33 33 ARG HG2 H 1 1.816 0.030 . 2 . . . . 33 ARG HG2 . 10228 1
280 . 1 1 33 33 ARG HG3 H 1 1.673 0.030 . 2 . . . . 33 ARG HG3 . 10228 1
281 . 1 1 33 33 ARG C C 13 178.375 0.300 . 1 . . . . 33 ARG C . 10228 1
282 . 1 1 33 33 ARG CA C 13 58.637 0.300 . 1 . . . . 33 ARG CA . 10228 1
283 . 1 1 33 33 ARG CB C 13 29.760 0.300 . 1 . . . . 33 ARG CB . 10228 1
284 . 1 1 33 33 ARG CD C 13 43.315 0.300 . 1 . . . . 33 ARG CD . 10228 1
285 . 1 1 33 33 ARG CG C 13 27.575 0.300 . 1 . . . . 33 ARG CG . 10228 1
286 . 1 1 33 33 ARG N N 15 117.491 0.300 . 1 . . . . 33 ARG N . 10228 1
287 . 1 1 34 34 LEU H H 1 7.702 0.030 . 1 . . . . 34 LEU H . 10228 1
288 . 1 1 34 34 LEU HA H 1 4.031 0.030 . 1 . . . . 34 LEU HA . 10228 1
289 . 1 1 34 34 LEU HB2 H 1 1.418 0.030 . 2 . . . . 34 LEU HB2 . 10228 1
290 . 1 1 34 34 LEU HB3 H 1 1.287 0.030 . 2 . . . . 34 LEU HB3 . 10228 1
291 . 1 1 34 34 LEU HD11 H 1 0.823 0.030 . 1 . . . . 34 LEU HD1 . 10228 1
292 . 1 1 34 34 LEU HD12 H 1 0.823 0.030 . 1 . . . . 34 LEU HD1 . 10228 1
293 . 1 1 34 34 LEU HD13 H 1 0.823 0.030 . 1 . . . . 34 LEU HD1 . 10228 1
294 . 1 1 34 34 LEU HD21 H 1 0.753 0.030 . 1 . . . . 34 LEU HD2 . 10228 1
295 . 1 1 34 34 LEU HD22 H 1 0.753 0.030 . 1 . . . . 34 LEU HD2 . 10228 1
296 . 1 1 34 34 LEU HD23 H 1 0.753 0.030 . 1 . . . . 34 LEU HD2 . 10228 1
297 . 1 1 34 34 LEU HG H 1 1.585 0.030 . 1 . . . . 34 LEU HG . 10228 1
298 . 1 1 34 34 LEU C C 13 178.952 0.300 . 1 . . . . 34 LEU C . 10228 1
299 . 1 1 34 34 LEU CA C 13 56.816 0.300 . 1 . . . . 34 LEU CA . 10228 1
300 . 1 1 34 34 LEU CB C 13 40.886 0.300 . 1 . . . . 34 LEU CB . 10228 1
301 . 1 1 34 34 LEU CD1 C 13 24.999 0.300 . 2 . . . . 34 LEU CD1 . 10228 1
302 . 1 1 34 34 LEU CD2 C 13 22.995 0.300 . 2 . . . . 34 LEU CD2 . 10228 1
303 . 1 1 34 34 LEU CG C 13 26.859 0.300 . 1 . . . . 34 LEU CG . 10228 1
304 . 1 1 34 34 LEU N N 15 118.773 0.300 . 1 . . . . 34 LEU N . 10228 1
305 . 1 1 35 35 HIS H H 1 7.172 0.030 . 1 . . . . 35 HIS H . 10228 1
306 . 1 1 35 35 HIS HA H 1 4.721 0.030 . 1 . . . . 35 HIS HA . 10228 1
307 . 1 1 35 35 HIS HB2 H 1 3.294 0.030 . 2 . . . . 35 HIS HB2 . 10228 1
308 . 1 1 35 35 HIS HB3 H 1 3.126 0.030 . 2 . . . . 35 HIS HB3 . 10228 1
309 . 1 1 35 35 HIS HD2 H 1 6.689 0.030 . 1 . . . . 35 HIS HD2 . 10228 1
310 . 1 1 35 35 HIS HE1 H 1 8.025 0.030 . 1 . . . . 35 HIS HE1 . 10228 1
311 . 1 1 35 35 HIS C C 13 175.730 0.300 . 1 . . . . 35 HIS C . 10228 1
312 . 1 1 35 35 HIS CA C 13 55.788 0.300 . 1 . . . . 35 HIS CA . 10228 1
313 . 1 1 35 35 HIS CB C 13 28.787 0.300 . 1 . . . . 35 HIS CB . 10228 1
314 . 1 1 35 35 HIS CD2 C 13 127.237 0.300 . 1 . . . . 35 HIS CD2 . 10228 1
315 . 1 1 35 35 HIS CE1 C 13 139.786 0.300 . 1 . . . . 35 HIS CE1 . 10228 1
316 . 1 1 35 35 HIS N N 15 115.314 0.300 . 1 . . . . 35 HIS N . 10228 1
317 . 1 1 36 36 SER H H 1 7.773 0.030 . 1 . . . . 36 SER H . 10228 1
318 . 1 1 36 36 SER HA H 1 4.410 0.030 . 1 . . . . 36 SER HA . 10228 1
319 . 1 1 36 36 SER HB2 H 1 3.957 0.030 . 2 . . . . 36 SER HB2 . 10228 1
320 . 1 1 36 36 SER HB3 H 1 3.915 0.030 . 2 . . . . 36 SER HB3 . 10228 1
321 . 1 1 36 36 SER C C 13 175.092 0.300 . 1 . . . . 36 SER C . 10228 1
322 . 1 1 36 36 SER CA C 13 59.320 0.300 . 1 . . . . 36 SER CA . 10228 1
323 . 1 1 36 36 SER CB C 13 63.614 0.300 . 1 . . . . 36 SER CB . 10228 1
324 . 1 1 36 36 SER N N 15 114.851 0.300 . 1 . . . . 36 SER N . 10228 1
325 . 1 1 37 37 ARG H H 1 8.264 0.030 . 1 . . . . 37 ARG H . 10228 1
326 . 1 1 37 37 ARG HA H 1 4.340 0.030 . 1 . . . . 37 ARG HA . 10228 1
327 . 1 1 37 37 ARG HB2 H 1 1.933 0.030 . 2 . . . . 37 ARG HB2 . 10228 1
328 . 1 1 37 37 ARG HB3 H 1 1.816 0.030 . 2 . . . . 37 ARG HB3 . 10228 1
329 . 1 1 37 37 ARG HD2 H 1 3.206 0.030 . 1 . . . . 37 ARG HD2 . 10228 1
330 . 1 1 37 37 ARG HD3 H 1 3.206 0.030 . 1 . . . . 37 ARG HD3 . 10228 1
331 . 1 1 37 37 ARG HG2 H 1 1.678 0.030 . 1 . . . . 37 ARG HG2 . 10228 1
332 . 1 1 37 37 ARG HG3 H 1 1.678 0.030 . 1 . . . . 37 ARG HG3 . 10228 1
333 . 1 1 37 37 ARG C C 13 176.804 0.300 . 1 . . . . 37 ARG C . 10228 1
334 . 1 1 37 37 ARG CA C 13 56.665 0.300 . 1 . . . . 37 ARG CA . 10228 1
335 . 1 1 37 37 ARG CB C 13 30.544 0.300 . 1 . . . . 37 ARG CB . 10228 1
336 . 1 1 37 37 ARG CD C 13 43.314 0.300 . 1 . . . . 37 ARG CD . 10228 1
337 . 1 1 37 37 ARG CG C 13 27.119 0.300 . 1 . . . . 37 ARG CG . 10228 1
338 . 1 1 37 37 ARG N N 15 122.680 0.300 . 1 . . . . 37 ARG N . 10228 1
339 . 1 1 38 38 GLU H H 1 8.236 0.030 . 1 . . . . 38 GLU H . 10228 1
340 . 1 1 38 38 GLU HA H 1 4.242 0.030 . 1 . . . . 38 GLU HA . 10228 1
341 . 1 1 38 38 GLU HB2 H 1 2.056 0.030 . 2 . . . . 38 GLU HB2 . 10228 1
342 . 1 1 38 38 GLU HB3 H 1 2.001 0.030 . 2 . . . . 38 GLU HB3 . 10228 1
343 . 1 1 38 38 GLU HG2 H 1 2.332 0.030 . 2 . . . . 38 GLU HG2 . 10228 1
344 . 1 1 38 38 GLU HG3 H 1 2.269 0.030 . 2 . . . . 38 GLU HG3 . 10228 1
345 . 1 1 38 38 GLU C C 13 176.807 0.300 . 1 . . . . 38 GLU C . 10228 1
346 . 1 1 38 38 GLU CA C 13 56.861 0.300 . 1 . . . . 38 GLU CA . 10228 1
347 . 1 1 38 38 GLU CB C 13 30.121 0.300 . 1 . . . . 38 GLU CB . 10228 1
348 . 1 1 38 38 GLU CG C 13 36.279 0.300 . 1 . . . . 38 GLU CG . 10228 1
349 . 1 1 38 38 GLU N N 15 120.831 0.300 . 1 . . . . 38 GLU N . 10228 1
350 . 1 1 39 39 LYS H H 1 8.214 0.030 . 1 . . . . 39 LYS H . 10228 1
351 . 1 1 39 39 LYS HA H 1 4.337 0.030 . 1 . . . . 39 LYS HA . 10228 1
352 . 1 1 39 39 LYS HB2 H 1 1.887 0.030 . 2 . . . . 39 LYS HB2 . 10228 1
353 . 1 1 39 39 LYS HB3 H 1 1.790 0.030 . 2 . . . . 39 LYS HB3 . 10228 1
354 . 1 1 39 39 LYS HD2 H 1 1.684 0.030 . 1 . . . . 39 LYS HD2 . 10228 1
355 . 1 1 39 39 LYS HD3 H 1 1.684 0.030 . 1 . . . . 39 LYS HD3 . 10228 1
356 . 1 1 39 39 LYS HE2 H 1 2.992 0.030 . 1 . . . . 39 LYS HE2 . 10228 1
357 . 1 1 39 39 LYS HE3 H 1 2.992 0.030 . 1 . . . . 39 LYS HE3 . 10228 1
358 . 1 1 39 39 LYS HG2 H 1 1.487 0.030 . 2 . . . . 39 LYS HG2 . 10228 1
359 . 1 1 39 39 LYS HG3 H 1 1.436 0.030 . 2 . . . . 39 LYS HG3 . 10228 1
360 . 1 1 39 39 LYS C C 13 176.749 0.300 . 1 . . . . 39 LYS C . 10228 1
361 . 1 1 39 39 LYS CA C 13 56.498 0.300 . 1 . . . . 39 LYS CA . 10228 1
362 . 1 1 39 39 LYS CB C 13 32.926 0.300 . 1 . . . . 39 LYS CB . 10228 1
363 . 1 1 39 39 LYS CD C 13 29.030 0.300 . 1 . . . . 39 LYS CD . 10228 1
364 . 1 1 39 39 LYS CE C 13 42.141 0.300 . 1 . . . . 39 LYS CE . 10228 1
365 . 1 1 39 39 LYS CG C 13 24.688 0.300 . 1 . . . . 39 LYS CG . 10228 1
366 . 1 1 39 39 LYS N N 15 121.436 0.300 . 1 . . . . 39 LYS N . 10228 1
367 . 1 1 40 40 SER H H 1 8.282 0.030 . 1 . . . . 40 SER H . 10228 1
368 . 1 1 40 40 SER HA H 1 4.471 0.030 . 1 . . . . 40 SER HA . 10228 1
369 . 1 1 40 40 SER HB2 H 1 3.881 0.030 . 1 . . . . 40 SER HB2 . 10228 1
370 . 1 1 40 40 SER HB3 H 1 3.881 0.030 . 1 . . . . 40 SER HB3 . 10228 1
371 . 1 1 40 40 SER C C 13 174.618 0.300 . 1 . . . . 40 SER C . 10228 1
372 . 1 1 40 40 SER CA C 13 58.313 0.300 . 1 . . . . 40 SER CA . 10228 1
373 . 1 1 40 40 SER CB C 13 63.713 0.300 . 1 . . . . 40 SER CB . 10228 1
374 . 1 1 40 40 SER N N 15 116.652 0.300 . 1 . . . . 40 SER N . 10228 1
375 . 1 1 41 41 SER H H 1 8.315 0.030 . 1 . . . . 41 SER H . 10228 1
376 . 1 1 41 41 SER HA H 1 4.505 0.030 . 1 . . . . 41 SER HA . 10228 1
377 . 1 1 41 41 SER HB2 H 1 3.879 0.030 . 1 . . . . 41 SER HB2 . 10228 1
378 . 1 1 41 41 SER HB3 H 1 3.879 0.030 . 1 . . . . 41 SER HB3 . 10228 1
379 . 1 1 41 41 SER C C 13 174.491 0.300 . 1 . . . . 41 SER C . 10228 1
380 . 1 1 41 41 SER CA C 13 58.298 0.300 . 1 . . . . 41 SER CA . 10228 1
381 . 1 1 41 41 SER CB C 13 63.977 0.300 . 1 . . . . 41 SER CB . 10228 1
382 . 1 1 41 41 SER N N 15 117.808 0.300 . 1 . . . . 41 SER N . 10228 1
383 . 1 1 42 42 GLY H H 1 8.209 0.030 . 1 . . . . 42 GLY H . 10228 1
384 . 1 1 42 42 GLY HA2 H 1 4.137 0.030 . 1 . . . . 42 GLY HA2 . 10228 1
385 . 1 1 42 42 GLY HA3 H 1 4.137 0.030 . 1 . . . . 42 GLY HA3 . 10228 1
386 . 1 1 42 42 GLY C C 13 171.766 0.300 . 1 . . . . 42 GLY C . 10228 1
387 . 1 1 42 42 GLY CA C 13 44.693 0.300 . 1 . . . . 42 GLY CA . 10228 1
388 . 1 1 42 42 GLY N N 15 110.577 0.300 . 1 . . . . 42 GLY N . 10228 1
389 . 1 1 43 43 PRO HA H 1 4.477 0.030 . 1 . . . . 43 PRO HA . 10228 1
390 . 1 1 43 43 PRO HB2 H 1 1.964 0.030 . 2 . . . . 43 PRO HB2 . 10228 1
391 . 1 1 43 43 PRO HB3 H 1 2.291 0.030 . 2 . . . . 43 PRO HB3 . 10228 1
392 . 1 1 43 43 PRO HD2 H 1 3.629 0.030 . 1 . . . . 43 PRO HD2 . 10228 1
393 . 1 1 43 43 PRO HD3 H 1 3.629 0.030 . 1 . . . . 43 PRO HD3 . 10228 1
394 . 1 1 43 43 PRO HG2 H 1 2.020 0.030 . 1 . . . . 43 PRO HG2 . 10228 1
395 . 1 1 43 43 PRO HG3 H 1 2.020 0.030 . 1 . . . . 43 PRO HG3 . 10228 1
396 . 1 1 43 43 PRO C C 13 177.379 0.300 . 1 . . . . 43 PRO C . 10228 1
397 . 1 1 43 43 PRO CA C 13 63.211 0.300 . 1 . . . . 43 PRO CA . 10228 1
398 . 1 1 43 43 PRO CB C 13 32.181 0.300 . 1 . . . . 43 PRO CB . 10228 1
399 . 1 1 43 43 PRO CD C 13 49.869 0.300 . 1 . . . . 43 PRO CD . 10228 1
400 . 1 1 43 43 PRO CG C 13 27.141 0.300 . 1 . . . . 43 PRO CG . 10228 1
401 . 1 1 44 44 SER H H 1 8.517 0.030 . 1 . . . . 44 SER H . 10228 1
402 . 1 1 44 44 SER C C 13 174.661 0.300 . 1 . . . . 44 SER C . 10228 1
403 . 1 1 44 44 SER CA C 13 58.543 0.300 . 1 . . . . 44 SER CA . 10228 1
404 . 1 1 44 44 SER CB C 13 64.118 0.300 . 1 . . . . 44 SER CB . 10228 1
405 . 1 1 44 44 SER N N 15 116.460 0.300 . 1 . . . . 44 SER N . 10228 1
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