data_4216 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4216 _Entry.Title ; Structure of Transcriptional Activation Domain of CRE-BP1/ATF-2 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1998-06-09 _Entry.Accession_date 1998-06-09 _Entry.Last_release_date 2000-04-04 _Entry.Original_release_date 2000-04-04 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _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 A. Nagadoi . . . 4216 2 K. Nakazawa . . . 4216 3 H. Uda . . . 4216 4 T. Maekawa . . . 4216 5 S. Ishii . . . 4216 6 Y. Nishimura . . . 4216 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4216 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 66 4216 '15N chemical shifts' 34 4216 '1H chemical shifts' 231 4216 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 . . 2000-04-04 1998-06-09 original author . 4216 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 1BHI 'BMRB Entry Tracking System' 4216 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4216 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99194861 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of the transactivation domain of ATF-2 comprising a zinc finger-like subdomain and a flexible subdomain. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 287 _Citation.Journal_issue 3 _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 593 _Citation.Page_last 607 _Citation.Year 1999 _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 A. Nagadoi . . . 4216 1 2 K. Nakazawa . . . 4216 1 3 H. Uda . . . 4216 1 4 T. Maekawa . . . 4216 1 5 S. Ishii . . . 4216 1 6 Y. Nishimura . . . 4216 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID ATF-2 4216 1 'CRE binding protein' 4216 1 'Transcriptional activation domain' 4216 1 Zn_finger 4216 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_CRE-BP1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_CRE-BP1 _Assembly.Entry_ID 4216 _Assembly.ID 1 _Assembly.Name CRE-BP1 _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not reported' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4216 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 CRE-BP1 1 $CRE-BP1 . . . native . . . . . 4216 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 1BHI . 'Structure Of Transactivation Domain Of Cre-Bp1ATF-2, Nmr, 20 Structures' . . . . 4216 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID CRE-BP1 abbreviation 4216 1 CRE-BP1 system 4216 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CRE-BP1 _Entity.Sf_category entity _Entity.Sf_framecode CRE-BP1 _Entity.Entry_ID 4216 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CRE-BP1 _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 ; MSDDKPFLCTAPGCGQRFTN EDHLAVHKHKHEMTLKFG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 38 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _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 2015-11-24 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 1BHI . "Structure Of Transactivation Domain Of Cre-Bp1ATF-2, Nmr, 20 Structures" . . . . . 100.00 38 100.00 100.00 4.47e-19 . . . . 4216 1 2 no DBJ BAC29065 . "unnamed protein product [Mus musculus]" . . . . . 100.00 420 100.00 100.00 1.16e-19 . . . . 4216 1 3 no DBJ BAC39869 . "unnamed protein product [Mus musculus]" . . . . . 100.00 234 100.00 100.00 1.47e-19 . . . . 4216 1 4 no DBJ BAE01543 . "unnamed protein product [Macaca fascicularis]" . . . . . 100.00 505 100.00 100.00 1.16e-18 . . . . 4216 1 5 no DBJ BAE24498 . "unnamed protein product [Mus musculus]" . . . . . 100.00 158 100.00 100.00 1.57e-19 . . . . 4216 1 6 no DBJ BAE26726 . "unnamed protein product [Mus musculus]" . . . . . 100.00 378 100.00 100.00 3.85e-19 . . . . 4216 1 7 no EMBL CAA33886 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 505 100.00 100.00 1.11e-18 . . . . 4216 1 8 no EMBL CAA76838 . "activating transcription factor 2 [Gallus gallus]" . . . . . 100.00 487 100.00 100.00 9.24e-19 . . . . 4216 1 9 no EMBL CDQ71839 . "unnamed protein product [Oncorhynchus mykiss]" . . . . . 100.00 499 97.37 97.37 9.48e-18 . . . . 4216 1 10 no GB AAA42013 . "RATF2 [Rattus norvegicus]" . . . . . 100.00 389 100.00 100.00 2.79e-19 . . . . 4216 1 11 no GB AAA69518 . "activating transcription factor 2 [Xenopus laevis]" . . . . . 100.00 486 97.37 100.00 4.13e-18 . . . . 4216 1 12 no GB AAA93263 . "cAMP response element binding protein 1 [Rattus norvegicus]" . . . . . 100.00 487 100.00 100.00 1.22e-18 . . . . 4216 1 13 no GB AAH26175 . "ATF2 protein [Homo sapiens]" . . . . . 100.00 209 100.00 100.00 2.75e-19 . . . . 4216 1 14 no GB AAH42210 . "Atf2 protein [Mus musculus]" . . . . . 100.00 487 100.00 100.00 1.05e-18 . . . . 4216 1 15 no REF NP_001020264 . "cyclic AMP-dependent transcription factor ATF-2 isoform 1 [Mus musculus]" . . . . . 100.00 487 100.00 100.00 1.22e-18 . . . . 4216 1 16 no REF NP_001075053 . "cyclic AMP-dependent transcription factor ATF-2 [Bos taurus]" . . . . . 100.00 505 100.00 100.00 1.29e-18 . . . . 4216 1 17 no REF NP_001079255 . "activating transcription factor 2 [Xenopus laevis]" . . . . . 100.00 486 97.37 100.00 4.13e-18 . . . . 4216 1 18 no REF NP_001243019 . "cyclic AMP-dependent transcription factor ATF-2 isoform 1 [Homo sapiens]" . . . . . 100.00 505 100.00 100.00 1.11e-18 . . . . 4216 1 19 no REF NP_001243020 . "cyclic AMP-dependent transcription factor ATF-2 isoform 2 [Homo sapiens]" . . . . . 100.00 487 100.00 100.00 1.05e-18 . . . . 4216 1 20 no SP O93602 . "RecName: Full=Cyclic AMP-dependent transcription factor ATF-2; Short=cAMP-dependent transcription factor ATF-2; AltName: Full=A" . . . . . 100.00 487 100.00 100.00 9.24e-19 . . . . 4216 1 21 no SP P15336 . "RecName: Full=Cyclic AMP-dependent transcription factor ATF-2; Short=cAMP-dependent transcription factor ATF-2; AltName: Full=A" . . . . . 100.00 505 100.00 100.00 1.11e-18 . . . . 4216 1 22 no SP P16951 . "RecName: Full=Cyclic AMP-dependent transcription factor ATF-2; Short=cAMP-dependent transcription factor ATF-2; AltName: Full=A" . . . . . 100.00 487 100.00 100.00 1.22e-18 . . . . 4216 1 23 no SP Q00969 . "RecName: Full=Cyclic AMP-dependent transcription factor ATF-2; Short=cAMP-dependent transcription factor ATF-2; AltName: Full=A" . . . . . 100.00 487 100.00 100.00 1.22e-18 . . . . 4216 1 24 no TPG DAA32794 . "TPA: activating transcription factor 2 [Bos taurus]" . . . . . 100.00 505 100.00 100.00 1.16e-18 . . . . 4216 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID CRE-BP1 abbreviation 4216 1 CRE-BP1 common 4216 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 4216 1 2 . SER . 4216 1 3 . ASP . 4216 1 4 . ASP . 4216 1 5 . LYS . 4216 1 6 . PRO . 4216 1 7 . PHE . 4216 1 8 . LEU . 4216 1 9 . CYS . 4216 1 10 . THR . 4216 1 11 . ALA . 4216 1 12 . PRO . 4216 1 13 . GLY . 4216 1 14 . CYS . 4216 1 15 . GLY . 4216 1 16 . GLN . 4216 1 17 . ARG . 4216 1 18 . PHE . 4216 1 19 . THR . 4216 1 20 . ASN . 4216 1 21 . GLU . 4216 1 22 . ASP . 4216 1 23 . HIS . 4216 1 24 . LEU . 4216 1 25 . ALA . 4216 1 26 . VAL . 4216 1 27 . HIS . 4216 1 28 . LYS . 4216 1 29 . HIS . 4216 1 30 . LYS . 4216 1 31 . HIS . 4216 1 32 . GLU . 4216 1 33 . MET . 4216 1 34 . THR . 4216 1 35 . LEU . 4216 1 36 . LYS . 4216 1 37 . PHE . 4216 1 38 . GLY . 4216 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 4216 1 . SER 2 2 4216 1 . ASP 3 3 4216 1 . ASP 4 4 4216 1 . LYS 5 5 4216 1 . PRO 6 6 4216 1 . PHE 7 7 4216 1 . LEU 8 8 4216 1 . CYS 9 9 4216 1 . THR 10 10 4216 1 . ALA 11 11 4216 1 . PRO 12 12 4216 1 . GLY 13 13 4216 1 . CYS 14 14 4216 1 . GLY 15 15 4216 1 . GLN 16 16 4216 1 . ARG 17 17 4216 1 . PHE 18 18 4216 1 . THR 19 19 4216 1 . ASN 20 20 4216 1 . GLU 21 21 4216 1 . ASP 22 22 4216 1 . HIS 23 23 4216 1 . LEU 24 24 4216 1 . ALA 25 25 4216 1 . VAL 26 26 4216 1 . HIS 27 27 4216 1 . LYS 28 28 4216 1 . HIS 29 29 4216 1 . LYS 30 30 4216 1 . HIS 31 31 4216 1 . GLU 32 32 4216 1 . MET 33 33 4216 1 . THR 34 34 4216 1 . LEU 35 35 4216 1 . LYS 36 36 4216 1 . PHE 37 37 4216 1 . GLY 38 38 4216 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 4216 _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 $CRE-BP1 . 9606 . . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 4216 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 4216 _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 $CRE-BP1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . plasmid . . pAR2156NCO1 . . . . . . 4216 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_one _Sample.Sf_category sample _Sample.Sf_framecode sample_one _Sample.Entry_ID 4216 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 CRE-BP1 . . . 1 $CRE-BP1 . . . . . mM . . . . 4216 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_one _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_one _Sample_condition_list.Entry_ID 4216 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH . . na 4216 1 temperature . . K 4216 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_list _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_list _NMR_spectrometer.Entry_ID 4216 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details 'spectrometer information not available' _NMR_spectrometer.Manufacturer unknown _NMR_spectrometer.Model unknown _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 0 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 4216 _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 unknown unknown . 0 'spectrometer information not available' . . 4216 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 4216 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_one _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_one _Chem_shift_reference.Entry_ID 4216 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 . . . . . . . . . . . . . . . . . . . . 4216 1 H 1 . . . . . . . . . . . . . . . . . . . . 4216 1 N 15 . . . . . . . . . . . . . . . . . . . . 4216 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_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 4216 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one _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 $sample_one . 4216 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 3 3 ASP C C 13 175.6 . . 1 . . . . . . . . 4216 1 2 . 1 1 4 4 ASP H H 1 8.45 . . 1 . . . . . . . . 4216 1 3 . 1 1 4 4 ASP HA H 1 4.48 . . 1 . . . . . . . . 4216 1 4 . 1 1 4 4 ASP HB2 H 1 2.60 . . 1 . . . . . . . . 4216 1 5 . 1 1 4 4 ASP HB3 H 1 2.60 . . 1 . . . . . . . . 4216 1 6 . 1 1 4 4 ASP C C 13 175.8 . . 1 . . . . . . . . 4216 1 7 . 1 1 4 4 ASP CA C 13 54.6 . . 1 . . . . . . . . 4216 1 8 . 1 1 4 4 ASP N N 15 120.8 . . 1 . . . . . . . . 4216 1 9 . 1 1 5 5 LYS H H 1 8.21 . . 1 . . . . . . . . 4216 1 10 . 1 1 5 5 LYS HA H 1 4.48 . . 1 . . . . . . . . 4216 1 11 . 1 1 5 5 LYS HB2 H 1 1.58 . . 2 . . . . . . . . 4216 1 12 . 1 1 5 5 LYS HB3 H 1 1.57 . . 2 . . . . . . . . 4216 1 13 . 1 1 5 5 LYS HG2 H 1 1.10 . . 9 . . . . . . . . 4216 1 14 . 1 1 5 5 LYS HD2 H 1 1.36 . . 2 . . . . . . . . 4216 1 15 . 1 1 5 5 LYS HD3 H 1 1.57 . . 2 . . . . . . . . 4216 1 16 . 1 1 5 5 LYS CA C 13 56.6 . . 1 . . . . . . . . 4216 1 17 . 1 1 5 5 LYS N N 15 120.3 . . 1 . . . . . . . . 4216 1 18 . 1 1 6 6 PRO HA H 1 4.28 . . 1 . . . . . . . . 4216 1 19 . 1 1 6 6 PRO HB2 H 1 2.26 . . 1 . . . . . . . . 4216 1 20 . 1 1 6 6 PRO HB3 H 1 1.29 . . 1 . . . . . . . . 4216 1 21 . 1 1 6 6 PRO HG2 H 1 1.94 . . 1 . . . . . . . . 4216 1 22 . 1 1 6 6 PRO HG3 H 1 1.94 . . 1 . . . . . . . . 4216 1 23 . 1 1 6 6 PRO HD2 H 1 3.60 . . 1 . . . . . . . . 4216 1 24 . 1 1 6 6 PRO HD3 H 1 3.60 . . 1 . . . . . . . . 4216 1 25 . 1 1 6 6 PRO C C 13 176.7 . . 1 . . . . . . . . 4216 1 26 . 1 1 6 6 PRO CA C 13 63.9 . . 1 . . . . . . . . 4216 1 27 . 1 1 7 7 PHE H H 1 7.86 . . 1 . . . . . . . . 4216 1 28 . 1 1 7 7 PHE HA H 1 4.56 . . 1 . . . . . . . . 4216 1 29 . 1 1 7 7 PHE HB2 H 1 2.85 . . 1 . . . . . . . . 4216 1 30 . 1 1 7 7 PHE HB3 H 1 2.94 . . 1 . . . . . . . . 4216 1 31 . 1 1 7 7 PHE HD1 H 1 7.09 . . 1 . . . . . . . . 4216 1 32 . 1 1 7 7 PHE HD2 H 1 7.09 . . 1 . . . . . . . . 4216 1 33 . 1 1 7 7 PHE HE1 H 1 7.36 . . 1 . . . . . . . . 4216 1 34 . 1 1 7 7 PHE HE2 H 1 7.36 . . 1 . . . . . . . . 4216 1 35 . 1 1 7 7 PHE HZ H 1 7.36 . . 3 . . . . . . . . 4216 1 36 . 1 1 7 7 PHE C C 13 174.6 . . 1 . . . . . . . . 4216 1 37 . 1 1 7 7 PHE CA C 13 58.2 . . 1 . . . . . . . . 4216 1 38 . 1 1 7 7 PHE N N 15 117.7 . . 1 . . . . . . . . 4216 1 39 . 1 1 8 8 LEU H H 1 8.33 . . 1 . . . . . . . . 4216 1 40 . 1 1 8 8 LEU HA H 1 4.76 . . 1 . . . . . . . . 4216 1 41 . 1 1 8 8 LEU HB2 H 1 1.67 . . 1 . . . . . . . . 4216 1 42 . 1 1 8 8 LEU HB3 H 1 1.44 . . 1 . . . . . . . . 4216 1 43 . 1 1 8 8 LEU HG H 1 1.40 . . 1 . . . . . . . . 4216 1 44 . 1 1 8 8 LEU HD11 H 1 0.80 . . 2 . . . . . . . . 4216 1 45 . 1 1 8 8 LEU HD12 H 1 0.80 . . 2 . . . . . . . . 4216 1 46 . 1 1 8 8 LEU HD13 H 1 0.80 . . 2 . . . . . . . . 4216 1 47 . 1 1 8 8 LEU HD21 H 1 0.77 . . 2 . . . . . . . . 4216 1 48 . 1 1 8 8 LEU HD22 H 1 0.77 . . 2 . . . . . . . . 4216 1 49 . 1 1 8 8 LEU HD23 H 1 0.77 . . 2 . . . . . . . . 4216 1 50 . 1 1 8 8 LEU C C 13 175.8 . . 1 . . . . . . . . 4216 1 51 . 1 1 8 8 LEU CA C 13 54.6 . . 1 . . . . . . . . 4216 1 52 . 1 1 8 8 LEU N N 15 126.0 . . 1 . . . . . . . . 4216 1 53 . 1 1 9 9 CYS H H 1 8.93 . . 1 . . . . . . . . 4216 1 54 . 1 1 9 9 CYS HA H 1 4.51 . . 1 . . . . . . . . 4216 1 55 . 1 1 9 9 CYS HB2 H 1 2.82 . . 1 . . . . . . . . 4216 1 56 . 1 1 9 9 CYS HB3 H 1 3.30 . . 1 . . . . . . . . 4216 1 57 . 1 1 9 9 CYS CA C 13 60.9 . . 1 . . . . . . . . 4216 1 58 . 1 1 9 9 CYS N N 15 126.0 . . 1 . . . . . . . . 4216 1 59 . 1 1 10 10 THR HA H 1 4.37 . . 1 . . . . . . . . 4216 1 60 . 1 1 10 10 THR HB H 1 4.62 . . 1 . . . . . . . . 4216 1 61 . 1 1 10 10 THR C C 13 175.0 . . 1 . . . . . . . . 4216 1 62 . 1 1 10 10 THR CA C 13 61.6 . . 1 . . . . . . . . 4216 1 63 . 1 1 11 11 ALA H H 1 8.91 . . 1 . . . . . . . . 4216 1 64 . 1 1 11 11 ALA HA H 1 4.35 . . 1 . . . . . . . . 4216 1 65 . 1 1 11 11 ALA HB1 H 1 0.74 . . 1 . . . . . . . . 4216 1 66 . 1 1 11 11 ALA HB2 H 1 0.74 . . 1 . . . . . . . . 4216 1 67 . 1 1 11 11 ALA HB3 H 1 0.74 . . 1 . . . . . . . . 4216 1 68 . 1 1 11 11 ALA CA C 13 51.6 . . 1 . . . . . . . . 4216 1 69 . 1 1 11 11 ALA N N 15 130.7 . . 1 . . . . . . . . 4216 1 70 . 1 1 12 12 PRO HA H 1 4.26 . . 1 . . . . . . . . 4216 1 71 . 1 1 12 12 PRO HB2 H 1 2.21 . . 2 . . . . . . . . 4216 1 72 . 1 1 12 12 PRO HB3 H 1 1.92 . . 2 . . . . . . . . 4216 1 73 . 1 1 12 12 PRO HG2 H 1 2.12 . . 1 . . . . . . . . 4216 1 74 . 1 1 12 12 PRO HG3 H 1 2.12 . . 1 . . . . . . . . 4216 1 75 . 1 1 12 12 PRO HD2 H 1 3.50 . . 2 . . . . . . . . 4216 1 76 . 1 1 12 12 PRO HD3 H 1 3.88 . . 2 . . . . . . . . 4216 1 77 . 1 1 12 12 PRO C C 13 175.1 . . 1 . . . . . . . . 4216 1 78 . 1 1 12 12 PRO CA C 13 64.2 . . 1 . . . . . . . . 4216 1 79 . 1 1 13 13 GLY H H 1 8.95 . . 1 . . . . . . . . 4216 1 80 . 1 1 13 13 GLY HA2 H 1 3.70 . . 2 . . . . . . . . 4216 1 81 . 1 1 13 13 GLY HA3 H 1 4.04 . . 2 . . . . . . . . 4216 1 82 . 1 1 13 13 GLY C C 13 174.1 . . 1 . . . . . . . . 4216 1 83 . 1 1 13 13 GLY CA C 13 45.9 . . 1 . . . . . . . . 4216 1 84 . 1 1 13 13 GLY N N 15 112.4 . . 1 . . . . . . . . 4216 1 85 . 1 1 14 14 CYS H H 1 7.66 . . 1 . . . . . . . . 4216 1 86 . 1 1 14 14 CYS HA H 1 4.53 . . 1 . . . . . . . . 4216 1 87 . 1 1 14 14 CYS HB2 H 1 2.75 . . 1 . . . . . . . . 4216 1 88 . 1 1 14 14 CYS HB3 H 1 3.13 . . 1 . . . . . . . . 4216 1 89 . 1 1 14 14 CYS C C 13 176.6 . . 1 . . . . . . . . 4216 1 90 . 1 1 14 14 CYS CA C 13 61.5 . . 1 . . . . . . . . 4216 1 91 . 1 1 14 14 CYS N N 15 121.8 . . 1 . . . . . . . . 4216 1 92 . 1 1 15 15 GLY H H 1 8.70 . . 1 . . . . . . . . 4216 1 93 . 1 1 15 15 GLY HA2 H 1 3.85 . . 2 . . . . . . . . 4216 1 94 . 1 1 15 15 GLY HA3 H 1 3.95 . . 2 . . . . . . . . 4216 1 95 . 1 1 15 15 GLY C C 13 105.2 . . 1 . . . . . . . . 4216 1 96 . 1 1 15 15 GLY CA C 13 46.1 . . 1 . . . . . . . . 4216 1 97 . 1 1 15 15 GLY N N 15 105.2 . . 1 . . . . . . . . 4216 1 98 . 1 1 16 16 GLN H H 1 8.10 . . 1 . . . . . . . . 4216 1 99 . 1 1 16 16 GLN HA H 1 3.97 . . 1 . . . . . . . . 4216 1 100 . 1 1 16 16 GLN HB2 H 1 1.59 . . 1 . . . . . . . . 4216 1 101 . 1 1 16 16 GLN HB3 H 1 1.53 . . 1 . . . . . . . . 4216 1 102 . 1 1 16 16 GLN HG2 H 1 2.24 . . 2 . . . . . . . . 4216 1 103 . 1 1 16 16 GLN HG3 H 1 2.45 . . 2 . . . . . . . . 4216 1 104 . 1 1 16 16 GLN HE21 H 1 6.90 . . 2 . . . . . . . . 4216 1 105 . 1 1 16 16 GLN HE22 H 1 7.49 . . 2 . . . . . . . . 4216 1 106 . 1 1 16 16 GLN C C 13 174.1 . . 1 . . . . . . . . 4216 1 107 . 1 1 16 16 GLN CA C 13 58.0 . . 1 . . . . . . . . 4216 1 108 . 1 1 16 16 GLN N N 15 120.2 . . 1 . . . . . . . . 4216 1 109 . 1 1 16 16 GLN NE2 N 15 112.2 . . 1 . . . . . . . . 4216 1 110 . 1 1 17 17 ARG H H 1 7.70 . . 1 . . . . . . . . 4216 1 111 . 1 1 17 17 ARG HA H 1 5.16 . . 1 . . . . . . . . 4216 1 112 . 1 1 17 17 ARG HB2 H 1 1.35 . . 1 . . . . . . . . 4216 1 113 . 1 1 17 17 ARG HB3 H 1 1.79 . . 1 . . . . . . . . 4216 1 114 . 1 1 17 17 ARG HG2 H 1 1.58 . . 2 . . . . . . . . 4216 1 115 . 1 1 17 17 ARG HG3 H 1 1.35 . . 2 . . . . . . . . 4216 1 116 . 1 1 17 17 ARG HD2 H 1 3.17 . . 1 . . . . . . . . 4216 1 117 . 1 1 17 17 ARG HD3 H 1 3.17 . . 1 . . . . . . . . 4216 1 118 . 1 1 17 17 ARG C C 13 175.3 . . 1 . . . . . . . . 4216 1 119 . 1 1 17 17 ARG CA C 13 54.4 . . 1 . . . . . . . . 4216 1 120 . 1 1 17 17 ARG N N 15 117.9 . . 1 . . . . . . . . 4216 1 121 . 1 1 18 18 PHE H H 1 8.81 . . 1 . . . . . . . . 4216 1 122 . 1 1 18 18 PHE HA H 1 4.84 . . 1 . . . . . . . . 4216 1 123 . 1 1 18 18 PHE HB2 H 1 2.68 . . 1 . . . . . . . . 4216 1 124 . 1 1 18 18 PHE HB3 H 1 3.44 . . 1 . . . . . . . . 4216 1 125 . 1 1 18 18 PHE HD1 H 1 7.18 . . 1 . . . . . . . . 4216 1 126 . 1 1 18 18 PHE HD2 H 1 7.18 . . 1 . . . . . . . . 4216 1 127 . 1 1 18 18 PHE HE1 H 1 6.79 . . 1 . . . . . . . . 4216 1 128 . 1 1 18 18 PHE HE2 H 1 6.79 . . 1 . . . . . . . . 4216 1 129 . 1 1 18 18 PHE HZ H 1 6.07 . . 3 . . . . . . . . 4216 1 130 . 1 1 18 18 PHE C C 13 176.1 . . 1 . . . . . . . . 4216 1 131 . 1 1 18 18 PHE CA C 13 57.5 . . 1 . . . . . . . . 4216 1 132 . 1 1 18 18 PHE N N 15 116.0 . . 1 . . . . . . . . 4216 1 133 . 1 1 19 19 THR H H 1 9.55 . . 1 . . . . . . . . 4216 1 134 . 1 1 19 19 THR HA H 1 4.44 . . 1 . . . . . . . . 4216 1 135 . 1 1 19 19 THR HB H 1 4.37 . . 1 . . . . . . . . 4216 1 136 . 1 1 19 19 THR HG21 H 1 1.38 . . 1 . . . . . . . . 4216 1 137 . 1 1 19 19 THR HG22 H 1 1.38 . . 1 . . . . . . . . 4216 1 138 . 1 1 19 19 THR HG23 H 1 1.38 . . 1 . . . . . . . . 4216 1 139 . 1 1 19 19 THR C C 13 174.5 . . 1 . . . . . . . . 4216 1 140 . 1 1 19 19 THR CA C 13 64.3 . . 1 . . . . . . . . 4216 1 141 . 1 1 19 19 THR N N 15 112.6 . . 1 . . . . . . . . 4216 1 142 . 1 1 20 20 ASN H H 1 7.32 . . 1 . . . . . . . . 4216 1 143 . 1 1 20 20 ASN HA H 1 4.55 . . 1 . . . . . . . . 4216 1 144 . 1 1 20 20 ASN HB2 H 1 2.66 . . 1 . . . . . . . . 4216 1 145 . 1 1 20 20 ASN HB3 H 1 2.66 . . 1 . . . . . . . . 4216 1 146 . 1 1 20 20 ASN HD21 H 1 6.38 . . 2 . . . . . . . . 4216 1 147 . 1 1 20 20 ASN HD22 H 1 7.43 . . 2 . . . . . . . . 4216 1 148 . 1 1 20 20 ASN C C 13 174.4 . . 1 . . . . . . . . 4216 1 149 . 1 1 20 20 ASN CA C 13 52.2 . . 1 . . . . . . . . 4216 1 150 . 1 1 20 20 ASN N N 15 113.9 . . 1 . . . . . . . . 4216 1 151 . 1 1 20 20 ASN ND2 N 15 113.2 . . 1 . . . . . . . . 4216 1 152 . 1 1 21 21 GLU H H 1 8.57 . . 1 . . . . . . . . 4216 1 153 . 1 1 21 21 GLU HA H 1 3.12 . . 1 . . . . . . . . 4216 1 154 . 1 1 21 21 GLU HB2 H 1 1.58 . . 1 . . . . . . . . 4216 1 155 . 1 1 21 21 GLU HB3 H 1 1.58 . . 1 . . . . . . . . 4216 1 156 . 1 1 21 21 GLU HG2 H 1 1.80 . . 2 . . . . . . . . 4216 1 157 . 1 1 21 21 GLU HG3 H 1 1.95 . . 2 . . . . . . . . 4216 1 158 . 1 1 21 21 GLU C C 13 176.2 . . 1 . . . . . . . . 4216 1 159 . 1 1 21 21 GLU CA C 13 59.2 . . 1 . . . . . . . . 4216 1 160 . 1 1 21 21 GLU N N 15 121.0 . . 1 . . . . . . . . 4216 1 161 . 1 1 22 22 ASP H H 1 8.25 . . 1 . . . . . . . . 4216 1 162 . 1 1 22 22 ASP HA H 1 4.32 . . 1 . . . . . . . . 4216 1 163 . 1 1 22 22 ASP HB2 H 1 2.54 . . 1 . . . . . . . . 4216 1 164 . 1 1 22 22 ASP HB3 H 1 2.54 . . 1 . . . . . . . . 4216 1 165 . 1 1 22 22 ASP C C 13 178.6 . . 1 . . . . . . . . 4216 1 166 . 1 1 22 22 ASP CA C 13 57.4 . . 1 . . . . . . . . 4216 1 167 . 1 1 22 22 ASP N N 15 121.5 . . 1 . . . . . . . . 4216 1 168 . 1 1 23 23 HIS H H 1 8.05 . . 1 . . . . . . . . 4216 1 169 . 1 1 23 23 HIS HA H 1 4.31 . . 1 . . . . . . . . 4216 1 170 . 1 1 23 23 HIS HB2 H 1 3.18 . . 1 . . . . . . . . 4216 1 171 . 1 1 23 23 HIS HB3 H 1 3.18 . . 1 . . . . . . . . 4216 1 172 . 1 1 23 23 HIS HD2 H 1 7.02 . . 1 . . . . . . . . 4216 1 173 . 1 1 23 23 HIS HE1 H 1 7.89 . . 1 . . . . . . . . 4216 1 174 . 1 1 23 23 HIS C C 13 178.9 . . 1 . . . . . . . . 4216 1 175 . 1 1 23 23 HIS CA C 13 57.8 . . 1 . . . . . . . . 4216 1 176 . 1 1 23 23 HIS N N 15 118.7 . . 1 . . . . . . . . 4216 1 177 . 1 1 24 24 LEU H H 1 7.05 . . 1 . . . . . . . . 4216 1 178 . 1 1 24 24 LEU HA H 1 3.14 . . 1 . . . . . . . . 4216 1 179 . 1 1 24 24 LEU HB2 H 1 1.84 . . 1 . . . . . . . . 4216 1 180 . 1 1 24 24 LEU HB3 H 1 1.20 . . 1 . . . . . . . . 4216 1 181 . 1 1 24 24 LEU HG H 1 0.92 . . 1 . . . . . . . . 4216 1 182 . 1 1 24 24 LEU HD11 H 1 1.50 . . 2 . . . . . . . . 4216 1 183 . 1 1 24 24 LEU HD12 H 1 1.50 . . 2 . . . . . . . . 4216 1 184 . 1 1 24 24 LEU HD13 H 1 1.50 . . 2 . . . . . . . . 4216 1 185 . 1 1 24 24 LEU HD21 H 1 1.00 . . 2 . . . . . . . . 4216 1 186 . 1 1 24 24 LEU HD22 H 1 1.00 . . 2 . . . . . . . . 4216 1 187 . 1 1 24 24 LEU HD23 H 1 1.00 . . 2 . . . . . . . . 4216 1 188 . 1 1 24 24 LEU C C 13 176.9 . . 1 . . . . . . . . 4216 1 189 . 1 1 24 24 LEU CA C 13 57.7 . . 1 . . . . . . . . 4216 1 190 . 1 1 24 24 LEU N N 15 119.8 . . 1 . . . . . . . . 4216 1 191 . 1 1 25 25 ALA H H 1 8.07 . . 1 . . . . . . . . 4216 1 192 . 1 1 25 25 ALA HA H 1 3.89 . . 1 . . . . . . . . 4216 1 193 . 1 1 25 25 ALA HB1 H 1 1.48 . . 1 . . . . . . . . 4216 1 194 . 1 1 25 25 ALA HB2 H 1 1.48 . . 1 . . . . . . . . 4216 1 195 . 1 1 25 25 ALA HB3 H 1 1.48 . . 1 . . . . . . . . 4216 1 196 . 1 1 25 25 ALA C C 13 180.6 . . 1 . . . . . . . . 4216 1 197 . 1 1 25 25 ALA CA C 13 55.9 . . 1 . . . . . . . . 4216 1 198 . 1 1 25 25 ALA N N 15 121.3 . . 1 . . . . . . . . 4216 1 199 . 1 1 26 26 VAL H H 1 7.65 . . 1 . . . . . . . . 4216 1 200 . 1 1 26 26 VAL HA H 1 3.58 . . 1 . . . . . . . . 4216 1 201 . 1 1 26 26 VAL HB H 1 1.99 . . 1 . . . . . . . . 4216 1 202 . 1 1 26 26 VAL HG11 H 1 1.04 . . 1 . . . . . . . . 4216 1 203 . 1 1 26 26 VAL HG12 H 1 1.04 . . 1 . . . . . . . . 4216 1 204 . 1 1 26 26 VAL HG13 H 1 1.04 . . 1 . . . . . . . . 4216 1 205 . 1 1 26 26 VAL HG21 H 1 0.94 . . 1 . . . . . . . . 4216 1 206 . 1 1 26 26 VAL HG22 H 1 0.94 . . 1 . . . . . . . . 4216 1 207 . 1 1 26 26 VAL HG23 H 1 0.94 . . 1 . . . . . . . . 4216 1 208 . 1 1 26 26 VAL C C 13 178.6 . . 1 . . . . . . . . 4216 1 209 . 1 1 26 26 VAL CA C 13 66.1 . . 1 . . . . . . . . 4216 1 210 . 1 1 26 26 VAL N N 15 117.2 . . 1 . . . . . . . . 4216 1 211 . 1 1 27 27 HIS H H 1 7.49 . . 1 . . . . . . . . 4216 1 212 . 1 1 27 27 HIS HA H 1 4.09 . . 1 . . . . . . . . 4216 1 213 . 1 1 27 27 HIS HB2 H 1 2.72 . . 1 . . . . . . . . 4216 1 214 . 1 1 27 27 HIS HB3 H 1 3.03 . . 1 . . . . . . . . 4216 1 215 . 1 1 27 27 HIS HD2 H 1 6.98 . . 1 . . . . . . . . 4216 1 216 . 1 1 27 27 HIS HE1 H 1 7.82 . . 1 . . . . . . . . 4216 1 217 . 1 1 27 27 HIS C C 13 177.1 . . 1 . . . . . . . . 4216 1 218 . 1 1 27 27 HIS CA C 13 59.8 . . 1 . . . . . . . . 4216 1 219 . 1 1 27 27 HIS N N 15 120.3 . . 1 . . . . . . . . 4216 1 220 . 1 1 28 28 LYS H H 1 8.72 . . 1 . . . . . . . . 4216 1 221 . 1 1 28 28 LYS HA H 1 3.82 . . 1 . . . . . . . . 4216 1 222 . 1 1 28 28 LYS HB2 H 1 1.89 . . 1 . . . . . . . . 4216 1 223 . 1 1 28 28 LYS HB3 H 1 1.89 . . 1 . . . . . . . . 4216 1 224 . 1 1 28 28 LYS HG2 H 1 1.62 . . 1 . . . . . . . . 4216 1 225 . 1 1 28 28 LYS HG3 H 1 1.62 . . 1 . . . . . . . . 4216 1 226 . 1 1 28 28 LYS HD2 H 1 1.73 . . 1 . . . . . . . . 4216 1 227 . 1 1 28 28 LYS HD3 H 1 1.73 . . 1 . . . . . . . . 4216 1 228 . 1 1 28 28 LYS HE2 H 1 3.02 . . 1 . . . . . . . . 4216 1 229 . 1 1 28 28 LYS HE3 H 1 3.02 . . 1 . . . . . . . . 4216 1 230 . 1 1 28 28 LYS C C 13 179.0 . . 1 . . . . . . . . 4216 1 231 . 1 1 28 28 LYS CA C 13 60.5 . . 1 . . . . . . . . 4216 1 232 . 1 1 28 28 LYS N N 15 117.8 . . 1 . . . . . . . . 4216 1 233 . 1 1 29 29 HIS H H 1 7.56 . . 1 . . . . . . . . 4216 1 234 . 1 1 29 29 HIS HA H 1 4.44 . . 1 . . . . . . . . 4216 1 235 . 1 1 29 29 HIS HB2 H 1 3.20 . . 1 . . . . . . . . 4216 1 236 . 1 1 29 29 HIS HB3 H 1 3.28 . . 1 . . . . . . . . 4216 1 237 . 1 1 29 29 HIS HD2 H 1 7.28 . . 1 . . . . . . . . 4216 1 238 . 1 1 29 29 HIS HE1 H 1 8.32 . . 1 . . . . . . . . 4216 1 239 . 1 1 29 29 HIS C C 13 177.3 . . 1 . . . . . . . . 4216 1 240 . 1 1 29 29 HIS CA C 13 58.9 . . 1 . . . . . . . . 4216 1 241 . 1 1 29 29 HIS N N 15 116.7 . . 1 . . . . . . . . 4216 1 242 . 1 1 30 30 LYS H H 1 7.90 . . 1 . . . . . . . . 4216 1 243 . 1 1 30 30 LYS HA H 1 3.93 . . 1 . . . . . . . . 4216 1 244 . 1 1 30 30 LYS HB2 H 1 1.55 . . 1 . . . . . . . . 4216 1 245 . 1 1 30 30 LYS HB3 H 1 1.55 . . 1 . . . . . . . . 4216 1 246 . 1 1 30 30 LYS HG2 H 1 1.26 . . 1 . . . . . . . . 4216 1 247 . 1 1 30 30 LYS HG3 H 1 1.26 . . 1 . . . . . . . . 4216 1 248 . 1 1 30 30 LYS HE2 H 1 3.92 . . 1 . . . . . . . . 4216 1 249 . 1 1 30 30 LYS HE3 H 1 3.92 . . 1 . . . . . . . . 4216 1 250 . 1 1 30 30 LYS C C 13 178.9 . . 1 . . . . . . . . 4216 1 251 . 1 1 30 30 LYS CA C 13 59.0 . . 1 . . . . . . . . 4216 1 252 . 1 1 30 30 LYS N N 15 117.9 . . 1 . . . . . . . . 4216 1 253 . 1 1 31 31 HIS H H 1 7.28 . . 1 . . . . . . . . 4216 1 254 . 1 1 31 31 HIS HA H 1 4.52 . . 1 . . . . . . . . 4216 1 255 . 1 1 31 31 HIS HB2 H 1 3.22 . . 1 . . . . . . . . 4216 1 256 . 1 1 31 31 HIS HB3 H 1 3.22 . . 1 . . . . . . . . 4216 1 257 . 1 1 31 31 HIS HD2 H 1 6.55 . . 1 . . . . . . . . 4216 1 258 . 1 1 31 31 HIS HE1 H 1 7.99 . . 1 . . . . . . . . 4216 1 259 . 1 1 31 31 HIS C C 13 176.8 . . 1 . . . . . . . . 4216 1 260 . 1 1 31 31 HIS CA C 13 57.4 . . 1 . . . . . . . . 4216 1 261 . 1 1 31 31 HIS N N 15 115.4 . . 1 . . . . . . . . 4216 1 262 . 1 1 32 32 GLU H H 1 7.72 . . 1 . . . . . . . . 4216 1 263 . 1 1 32 32 GLU HA H 1 4.16 . . 1 . . . . . . . . 4216 1 264 . 1 1 32 32 GLU HB2 H 1 2.08 . . 1 . . . . . . . . 4216 1 265 . 1 1 32 32 GLU HB3 H 1 2.08 . . 1 . . . . . . . . 4216 1 266 . 1 1 32 32 GLU HG2 H 1 2.27 . . 2 . . . . . . . . 4216 1 267 . 1 1 32 32 GLU HG3 H 1 2.38 . . 2 . . . . . . . . 4216 1 268 . 1 1 32 32 GLU C C 13 176.9 . . 1 . . . . . . . . 4216 1 269 . 1 1 32 32 GLU CA C 13 57.9 . . 1 . . . . . . . . 4216 1 270 . 1 1 32 32 GLU N N 15 119.0 . . 1 . . . . . . . . 4216 1 271 . 1 1 33 33 MET H H 1 8.15 . . 1 . . . . . . . . 4216 1 272 . 1 1 33 33 MET HA H 1 4.40 . . 1 . . . . . . . . 4216 1 273 . 1 1 33 33 MET HB2 H 1 2.04 . . 1 . . . . . . . . 4216 1 274 . 1 1 33 33 MET HB3 H 1 2.04 . . 1 . . . . . . . . 4216 1 275 . 1 1 33 33 MET HG2 H 1 2.38 . . 2 . . . . . . . . 4216 1 276 . 1 1 33 33 MET HG3 H 1 2.52 . . 2 . . . . . . . . 4216 1 277 . 1 1 33 33 MET C C 13 177.2 . . 1 . . . . . . . . 4216 1 278 . 1 1 33 33 MET CA C 13 56.6 . . 1 . . . . . . . . 4216 1 279 . 1 1 33 33 MET N N 15 119.1 . . 1 . . . . . . . . 4216 1 280 . 1 1 34 34 THR H H 1 8.00 . . 1 . . . . . . . . 4216 1 281 . 1 1 34 34 THR HA H 1 4.20 . . 2 . . . . . . . . 4216 1 282 . 1 1 34 34 THR HB H 1 4.20 . . 2 . . . . . . . . 4216 1 283 . 1 1 34 34 THR HG21 H 1 1.20 . . 1 . . . . . . . . 4216 1 284 . 1 1 34 34 THR HG22 H 1 1.20 . . 1 . . . . . . . . 4216 1 285 . 1 1 34 34 THR HG23 H 1 1.20 . . 1 . . . . . . . . 4216 1 286 . 1 1 34 34 THR C C 13 175.3 . . 1 . . . . . . . . 4216 1 287 . 1 1 34 34 THR CA C 13 63.5 . . 1 . . . . . . . . 4216 1 288 . 1 1 34 34 THR N N 15 114.6 . . 1 . . . . . . . . 4216 1 289 . 1 1 35 35 LEU H H 1 7.99 . . 1 . . . . . . . . 4216 1 290 . 1 1 35 35 LEU HA H 1 4.21 . . 1 . . . . . . . . 4216 1 291 . 1 1 35 35 LEU HB2 H 1 1.64 . . 1 . . . . . . . . 4216 1 292 . 1 1 35 35 LEU HB3 H 1 1.64 . . 1 . . . . . . . . 4216 1 293 . 1 1 35 35 LEU HG H 1 1.48 . . 1 . . . . . . . . 4216 1 294 . 1 1 35 35 LEU HD11 H 1 1.20 . . 2 . . . . . . . . 4216 1 295 . 1 1 35 35 LEU HD12 H 1 1.20 . . 2 . . . . . . . . 4216 1 296 . 1 1 35 35 LEU HD13 H 1 1.20 . . 2 . . . . . . . . 4216 1 297 . 1 1 35 35 LEU HD21 H 1 0.83 . . 2 . . . . . . . . 4216 1 298 . 1 1 35 35 LEU HD22 H 1 0.83 . . 2 . . . . . . . . 4216 1 299 . 1 1 35 35 LEU HD23 H 1 0.83 . . 2 . . . . . . . . 4216 1 300 . 1 1 35 35 LEU C C 13 177.5 . . 1 . . . . . . . . 4216 1 301 . 1 1 35 35 LEU CA C 13 55.9 . . 1 . . . . . . . . 4216 1 302 . 1 1 35 35 LEU N N 15 123.5 . . 1 . . . . . . . . 4216 1 303 . 1 1 36 36 LYS H H 1 8.00 . . 1 . . . . . . . . 4216 1 304 . 1 1 36 36 LYS HA H 1 4.14 . . 1 . . . . . . . . 4216 1 305 . 1 1 36 36 LYS HB2 H 1 1.57 . . 1 . . . . . . . . 4216 1 306 . 1 1 36 36 LYS HB3 H 1 1.57 . . 1 . . . . . . . . 4216 1 307 . 1 1 36 36 LYS HG2 H 1 1.14 . . 1 . . . . . . . . 4216 1 308 . 1 1 36 36 LYS HG3 H 1 1.14 . . 1 . . . . . . . . 4216 1 309 . 1 1 36 36 LYS HD2 H 1 1.22 . . 1 . . . . . . . . 4216 1 310 . 1 1 36 36 LYS HD3 H 1 1.22 . . 1 . . . . . . . . 4216 1 311 . 1 1 36 36 LYS HE2 H 1 2.89 . . 1 . . . . . . . . 4216 1 312 . 1 1 36 36 LYS HE3 H 1 2.89 . . 1 . . . . . . . . 4216 1 313 . 1 1 36 36 LYS CA C 13 57.0 . . 1 . . . . . . . . 4216 1 314 . 1 1 36 36 LYS N N 15 120.4 . . 1 . . . . . . . . 4216 1 315 . 1 1 37 37 PHE H H 1 8.16 . . 1 . . . . . . . . 4216 1 316 . 1 1 37 37 PHE HA H 1 4.69 . . 1 . . . . . . . . 4216 1 317 . 1 1 37 37 PHE HB2 H 1 2.94 . . 2 . . . . . . . . 4216 1 318 . 1 1 37 37 PHE HB3 H 1 3.21 . . 2 . . . . . . . . 4216 1 319 . 1 1 37 37 PHE HD1 H 1 7.27 . . 1 . . . . . . . . 4216 1 320 . 1 1 37 37 PHE HD2 H 1 7.27 . . 1 . . . . . . . . 4216 1 321 . 1 1 37 37 PHE HE1 H 1 7.27 . . 1 . . . . . . . . 4216 1 322 . 1 1 37 37 PHE HE2 H 1 7.27 . . 1 . . . . . . . . 4216 1 323 . 1 1 37 37 PHE HZ H 1 7.27 . . 3 . . . . . . . . 4216 1 324 . 1 1 37 37 PHE C C 13 176.1 . . 1 . . . . . . . . 4216 1 325 . 1 1 37 37 PHE CA C 13 57.6 . . 1 . . . . . . . . 4216 1 326 . 1 1 37 37 PHE N N 15 119.2 . . 1 . . . . . . . . 4216 1 327 . 1 1 38 38 GLY H H 1 8.12 . . 1 . . . . . . . . 4216 1 328 . 1 1 38 38 GLY HA2 H 1 4.06 . . 1 . . . . . . . . 4216 1 329 . 1 1 38 38 GLY HA3 H 1 4.06 . . 1 . . . . . . . . 4216 1 330 . 1 1 38 38 GLY CA C 13 44.7 . . 1 . . . . . . . . 4216 1 331 . 1 1 38 38 GLY N N 15 109.9 . . 1 . . . . . . . . 4216 1 stop_ save_