data_18110 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18110 _Entry.Title ; Solution Structure of C-terminal RAGE (ctRAGE) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-11-29 _Entry.Accession_date 2011-11-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _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 Vivek Rai . . . 18110 2 Andres Maldonado . Y. . 18110 3 David Burz . S. . 18110 4 Sergey Reverdatto . . . 18110 5 'Ann Marie' Schmidt . . . 18110 6 Alexander Shekhtman . . . 18110 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 'not applicable' 'not applicable' . 18110 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cytosolic tail' . 18110 Protein . 18110 'Receptor for Advanced Glycation End Products (RAGE)' . 18110 'Signal Transduction Receptor' . 18110 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18110 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 107 18110 '15N chemical shifts' 40 18110 '1H chemical shifts' 226 18110 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 2 . . 2013-02-18 2011-11-29 update BMRB 'update entry citation' 18110 1 . . 2011-12-20 2011-11-29 original author 'original release' 18110 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LMB 'BMRB Entry Tracking System' 18110 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 18110 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 2194616 _Citation.Full_citation . _Citation.Title 'Free radicals and antioxidant systems in health and disease.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Br. J. Hosp. Med.' _Citation.Journal_name_full 'British journal of hospital medicine' _Citation.Journal_volume 43 _Citation.Journal_issue 5 _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 334 _Citation.Page_last 344 _Citation.Year 1990 _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. Sinclair . J. . 18110 1 2 A. Barnett . H. . 18110 1 3 J. Lunec . . . 18110 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18110 _Assembly.ID 1 _Assembly.Name 'C-terminal RAGE (ctRAGE)' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'C-terminal RAGE (ctRAGE)' 1 $ctRAGE A . yes native no no . . . 18110 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ctRAGE _Entity.Sf_category entity _Entity.Sf_framecode ctRAGE _Entity.Entry_ID 18110 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ctRAGE _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MWQRRQRRGEERKAPENQEE EEERAELNQSEEPEAGESST GGP ; _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 43 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 1990.314 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 DBJ BAA05958 . "receptor of advanced glycosylation end products of proteins [Homo sapiens]" . . . . . 100.00 404 97.67 100.00 1.44e-16 . . . . 18110 1 2 no DBJ BAA89369 . "advanced glycation endproducts receptor [Homo sapiens]" . . . . . 100.00 404 97.67 100.00 1.44e-16 . . . . 18110 1 3 no DBJ BAC65466 . "N-terminal truncated form of receptor for advanced glycation endproducts [Homo sapiens]" . . . . . 100.00 303 97.67 100.00 4.72e-17 . . . . 18110 1 4 no DBJ BAG35995 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 404 97.67 100.00 1.44e-16 . . . . 18110 1 5 no DBJ BAG60385 . "unnamed protein product [Homo sapiens]" . . . . . 100.00 435 97.67 100.00 2.38e-16 . . . . 18110 1 6 no EMBL CAB43094 . "receptor for advanced glycosylation end product [Homo sapiens]" . . . . . 100.00 82 97.67 100.00 4.72e-18 . . . . 18110 1 7 no GB AAA03574 . "receptor for advanced glycosylation end products, partial [Homo sapiens]" . . . . . 100.00 404 97.67 100.00 1.55e-16 . . . . 18110 1 8 no GB AAB47491 . "receptor for advanced glycosylation end products [Homo sapiens]" . . . . . 100.00 404 97.67 100.00 1.44e-16 . . . . 18110 1 9 no GB AAH20669 . "Advanced glycosylation end product-specific receptor [Homo sapiens]" . . . . . 100.00 404 97.67 100.00 1.44e-16 . . . . 18110 1 10 no GB AAX07272 . "receptor for advanced glycosylation end-products [Homo sapiens]" . . . . . 100.00 404 97.67 100.00 1.44e-16 . . . . 18110 1 11 no GB AAX07274 . "receptor for advanced glycosylation end-products intron 4 variant [Homo sapiens]" . . . . . 100.00 420 97.67 100.00 1.84e-16 . . . . 18110 1 12 no REF NP_001127 . "advanced glycosylation end product-specific receptor isoform 1 precursor [Homo sapiens]" . . . . . 100.00 404 97.67 100.00 1.44e-16 . . . . 18110 1 13 no REF NP_001193858 . "advanced glycosylation end product-specific receptor isoform 2 precursor [Homo sapiens]" . . . . . 100.00 420 97.67 100.00 1.84e-16 . . . . 18110 1 14 no REF NP_001193861 . "advanced glycosylation end product-specific receptor isoform 3 precursor [Homo sapiens]" . . . . . 100.00 390 97.67 100.00 1.15e-16 . . . . 18110 1 15 no SP Q15109 . "RecName: Full=Advanced glycosylation end product-specific receptor; AltName: Full=Receptor for advanced glycosylation end produ" . . . . . 100.00 404 97.67 100.00 1.44e-16 . . . . 18110 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 . 18110 1 2 . TRP . 18110 1 3 . GLN . 18110 1 4 . ARG . 18110 1 5 . ARG . 18110 1 6 . GLN . 18110 1 7 . ARG . 18110 1 8 . ARG . 18110 1 9 . GLY . 18110 1 10 . GLU . 18110 1 11 . GLU . 18110 1 12 . ARG . 18110 1 13 . LYS . 18110 1 14 . ALA . 18110 1 15 . PRO . 18110 1 16 . GLU . 18110 1 17 . ASN . 18110 1 18 . GLN . 18110 1 19 . GLU . 18110 1 20 . GLU . 18110 1 21 . GLU . 18110 1 22 . GLU . 18110 1 23 . GLU . 18110 1 24 . ARG . 18110 1 25 . ALA . 18110 1 26 . GLU . 18110 1 27 . LEU . 18110 1 28 . ASN . 18110 1 29 . GLN . 18110 1 30 . SER . 18110 1 31 . GLU . 18110 1 32 . GLU . 18110 1 33 . PRO . 18110 1 34 . GLU . 18110 1 35 . ALA . 18110 1 36 . GLY . 18110 1 37 . GLU . 18110 1 38 . SER . 18110 1 39 . SER . 18110 1 40 . THR . 18110 1 41 . GLY . 18110 1 42 . GLY . 18110 1 43 . PRO . 18110 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 18110 1 . TRP 2 2 18110 1 . GLN 3 3 18110 1 . ARG 4 4 18110 1 . ARG 5 5 18110 1 . GLN 6 6 18110 1 . ARG 7 7 18110 1 . ARG 8 8 18110 1 . GLY 9 9 18110 1 . GLU 10 10 18110 1 . GLU 11 11 18110 1 . ARG 12 12 18110 1 . LYS 13 13 18110 1 . ALA 14 14 18110 1 . PRO 15 15 18110 1 . GLU 16 16 18110 1 . ASN 17 17 18110 1 . GLN 18 18 18110 1 . GLU 19 19 18110 1 . GLU 20 20 18110 1 . GLU 21 21 18110 1 . GLU 22 22 18110 1 . GLU 23 23 18110 1 . ARG 24 24 18110 1 . ALA 25 25 18110 1 . GLU 26 26 18110 1 . LEU 27 27 18110 1 . ASN 28 28 18110 1 . GLN 29 29 18110 1 . SER 30 30 18110 1 . GLU 31 31 18110 1 . GLU 32 32 18110 1 . PRO 33 33 18110 1 . GLU 34 34 18110 1 . ALA 35 35 18110 1 . GLY 36 36 18110 1 . GLU 37 37 18110 1 . SER 38 38 18110 1 . SER 39 39 18110 1 . THR 40 40 18110 1 . GLY 41 41 18110 1 . GLY 42 42 18110 1 . PRO 43 43 18110 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 18110 _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 $ctRAGE . 9606 organism . 'Homo sapiens' human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18110 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 18110 _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 $ctRAGE . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pTM . . . . . . 18110 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18110 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 10 mM potassium phosphate [pH 6.5], 100 mM NaCl, 0.02% (w/v) NaN3, in 90%H2O/10%D2O ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ctRAGE '[U-99% 13C; U-99% 15N]' . . 1 $ctRAGE . . 300 . . uM . . . . 18110 1 2 D2O '[U-100% 2H]' . . . . . . 10 . . % . . . . 18110 1 3 'potassium phosphate' 'natural abundance' . . . . . . 10 . . mM . . . . 18110 1 4 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18110 1 5 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18110 1 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18110 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18110 _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' 130 . mM 18110 1 pH 6.5 . pH 18110 1 pressure 1 . atm 18110 1 temperature 298 . K 18110 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18110 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G??ntert P.' . . 18110 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18110 1 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 18110 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 18110 _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 . 700 . . . 18110 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 18110 _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 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18110 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18110 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18110 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18110 1 5 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18110 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18110 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18110 1 8 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18110 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18110 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18110 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 18110 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18110 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18110 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18110 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 18110 _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_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_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 '2D 1H-15N HSQC' . . . 18110 1 2 '3D CBCA(CO)NH' . . . 18110 1 3 '3D HNCO' . . . 18110 1 4 '3D HNCACB' . . . 18110 1 8 '3D 1H-15N TOCSY' . . . 18110 1 10 '3D HCCH-TOCSY' . . . 18110 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 1 1 MET HA H 1 4.407 0.020 . 1 . . . A 1 MET HA . 18110 1 2 . 1 1 1 1 MET HB2 H 1 1.898 0.020 . 2 . . . A 1 MET HB2 . 18110 1 3 . 1 1 1 1 MET HB3 H 1 1.727 0.020 . 2 . . . A 1 MET HB3 . 18110 1 4 . 1 1 1 1 MET HG2 H 1 2.160 0.020 . 1 . . . A 1 MET HG2 . 18110 1 5 . 1 1 1 1 MET HG3 H 1 2.160 0.020 . 1 . . . A 1 MET HG3 . 18110 1 6 . 1 1 1 1 MET H H 1 8.258 0.020 . 1 . . . A 1 MET H1 . 18110 1 7 . 1 1 1 1 MET CA C 13 51.270 0.3 . 1 . . . A 1 MET CA . 18110 1 8 . 1 1 1 1 MET CB C 13 26.364 0.3 . 1 . . . A 1 MET CB . 18110 1 9 . 1 1 1 1 MET CG C 13 22.681 0.3 . 1 . . . A 1 MET CG . 18110 1 10 . 1 1 1 1 MET N N 15 122.937 0.3 . 1 . . . A 1 MET N . 18110 1 11 . 1 1 2 2 TRP H H 1 8.683 0.020 . 1 . . . A 2 TRP H . 18110 1 12 . 1 1 2 2 TRP HA H 1 4.552 0.020 . 1 . . . A 2 TRP HA . 18110 1 13 . 1 1 2 2 TRP HB2 H 1 3.087 0.020 . 1 . . . A 2 TRP HB2 . 18110 1 14 . 1 1 2 2 TRP HB3 H 1 3.087 0.020 . 1 . . . A 2 TRP HB3 . 18110 1 15 . 1 1 2 2 TRP CA C 13 54.432 0.3 . 1 . . . A 2 TRP CA . 18110 1 16 . 1 1 2 2 TRP CB C 13 26.515 0.3 . 1 . . . A 2 TRP CB . 18110 1 17 . 1 1 2 2 TRP N N 15 124.724 0.3 . 1 . . . A 2 TRP N . 18110 1 18 . 1 1 3 3 GLN H H 1 8.118 0.020 . 1 . . . A 3 GLN H . 18110 1 19 . 1 1 3 3 GLN HA H 1 4.065 0.020 . 1 . . . A 3 GLN HA . 18110 1 20 . 1 1 3 3 GLN HB2 H 1 1.794 0.020 . 2 . . . A 3 GLN HB2 . 18110 1 21 . 1 1 3 3 GLN HB3 H 1 1.680 0.020 . 2 . . . A 3 GLN HB3 . 18110 1 22 . 1 1 3 3 GLN HG2 H 1 2.052 0.020 . 1 . . . A 3 GLN HG2 . 18110 1 23 . 1 1 3 3 GLN HG3 H 1 2.052 0.020 . 1 . . . A 3 GLN HG3 . 18110 1 24 . 1 1 3 3 GLN CA C 13 52.373 0.3 . 1 . . . A 3 GLN CA . 18110 1 25 . 1 1 3 3 GLN CB C 13 26.893 0.3 . 1 . . . A 3 GLN CB . 18110 1 26 . 1 1 3 3 GLN CG C 13 30.975 0.3 . 1 . . . A 3 GLN CG . 18110 1 27 . 1 1 3 3 GLN N N 15 123.310 0.3 . 1 . . . A 3 GLN N . 18110 1 28 . 1 1 4 4 ARG H H 1 8.098 0.020 . 1 . . . A 4 ARG H . 18110 1 29 . 1 1 4 4 ARG HA H 1 3.910 0.020 . 1 . . . A 4 ARG HA . 18110 1 30 . 1 1 4 4 ARG HB2 H 1 1.565 0.020 . 2 . . . A 4 ARG HB2 . 18110 1 31 . 1 1 4 4 ARG HB3 H 1 1.509 0.020 . 2 . . . A 4 ARG HB3 . 18110 1 32 . 1 1 4 4 ARG HD2 H 1 3.037 0.020 . 1 . . . A 4 ARG HD2 . 18110 1 33 . 1 1 4 4 ARG HD3 H 1 3.037 0.020 . 1 . . . A 4 ARG HD3 . 18110 1 34 . 1 1 4 4 ARG CA C 13 53.443 0.3 . 1 . . . A 4 ARG CA . 18110 1 35 . 1 1 4 4 ARG CB C 13 27.499 0.3 . 1 . . . A 4 ARG CB . 18110 1 36 . 1 1 4 4 ARG CG C 13 24.226 0.3 . 1 . . . A 4 ARG CG . 18110 1 37 . 1 1 4 4 ARG CD C 13 40.326 0.3 . 1 . . . A 4 ARG CD . 18110 1 38 . 1 1 4 4 ARG N N 15 122.402 0.3 . 1 . . . A 4 ARG N . 18110 1 39 . 1 1 5 5 ARG H H 1 8.364 0.020 . 1 . . . A 5 ARG H . 18110 1 40 . 1 1 5 5 ARG HA H 1 4.111 0.020 . 1 . . . A 5 ARG HA . 18110 1 41 . 1 1 5 5 ARG HB2 H 1 1.644 0.020 . 1 . . . A 5 ARG HB2 . 18110 1 42 . 1 1 5 5 ARG HB3 H 1 1.644 0.020 . 1 . . . A 5 ARG HB3 . 18110 1 43 . 1 1 5 5 ARG HG2 H 1 1.462 0.020 . 1 . . . A 5 ARG HG2 . 18110 1 44 . 1 1 5 5 ARG HG3 H 1 1.462 0.020 . 1 . . . A 5 ARG HG3 . 18110 1 45 . 1 1 5 5 ARG HD2 H 1 2.996 0.020 . 1 . . . A 5 ARG HD2 . 18110 1 46 . 1 1 5 5 ARG HD3 H 1 2.996 0.020 . 1 . . . A 5 ARG HD3 . 18110 1 47 . 1 1 5 5 ARG CA C 13 53.346 0.3 . 1 . . . A 5 ARG CA . 18110 1 48 . 1 1 5 5 ARG CB C 13 27.801 0.3 . 1 . . . A 5 ARG CB . 18110 1 49 . 1 1 5 5 ARG CG C 13 24.388 0.3 . 1 . . . A 5 ARG CG . 18110 1 50 . 1 1 5 5 ARG CD C 13 40.163 0.3 . 1 . . . A 5 ARG CD . 18110 1 51 . 1 1 5 5 ARG N N 15 122.488 0.3 . 1 . . . A 5 ARG N . 18110 1 52 . 1 1 6 6 GLN H H 1 8.376 0.020 . 1 . . . A 6 GLN H . 18110 1 53 . 1 1 6 6 GLN HA H 1 4.154 0.020 . 1 . . . A 6 GLN HA . 18110 1 54 . 1 1 6 6 GLN HB2 H 1 1.891 0.020 . 2 . . . A 6 GLN HB2 . 18110 1 55 . 1 1 6 6 GLN HB3 H 1 1.792 0.020 . 2 . . . A 6 GLN HB3 . 18110 1 56 . 1 1 6 6 GLN HG2 H 1 2.170 0.020 . 1 . . . A 6 GLN HG2 . 18110 1 57 . 1 1 6 6 GLN HG3 H 1 2.170 0.020 . 1 . . . A 6 GLN HG3 . 18110 1 58 . 1 1 6 6 GLN CA C 13 53.021 0.3 . 1 . . . A 6 GLN CA . 18110 1 59 . 1 1 6 6 GLN CB C 13 26.591 0.3 . 1 . . . A 6 GLN CB . 18110 1 60 . 1 1 6 6 GLN CG C 13 30.893 0.3 . 1 . . . A 6 GLN CG . 18110 1 61 . 1 1 6 6 GLN N N 15 121.989 0.3 . 1 . . . A 6 GLN N . 18110 1 62 . 1 1 7 7 ARG H H 1 8.431 0.020 . 1 . . . A 7 ARG H . 18110 1 63 . 1 1 7 7 ARG HA H 1 4.186 0.020 . 1 . . . A 7 ARG HA . 18110 1 64 . 1 1 7 7 ARG HB2 H 1 1.658 0.020 . 1 . . . A 7 ARG HB2 . 18110 1 65 . 1 1 7 7 ARG HG2 H 1 1.481 0.020 . 1 . . . A 7 ARG HG2 . 18110 1 66 . 1 1 7 7 ARG HG3 H 1 1.481 0.020 . 1 . . . A 7 ARG HG3 . 18110 1 67 . 1 1 7 7 ARG HD2 H 1 3.037 0.020 . 1 . . . A 7 ARG HD2 . 18110 1 68 . 1 1 7 7 ARG HD3 H 1 3.037 0.020 . 1 . . . A 7 ARG HD3 . 18110 1 69 . 1 1 7 7 ARG CA C 13 53.021 0.3 . 1 . . . A 7 ARG CA . 18110 1 70 . 1 1 7 7 ARG CB C 13 27.726 0.3 . 1 . . . A 7 ARG CB . 18110 1 71 . 1 1 7 7 ARG CG C 13 24.145 0.3 . 1 . . . A 7 ARG CG . 18110 1 72 . 1 1 7 7 ARG CD C 13 40.163 0.3 . 1 . . . A 7 ARG CD . 18110 1 73 . 1 1 7 7 ARG N N 15 123.118 0.3 . 1 . . . A 7 ARG N . 18110 1 74 . 1 1 8 8 ARG H H 1 8.492 0.020 . 1 . . . A 8 ARG H . 18110 1 75 . 1 1 8 8 ARG HA H 1 4.171 0.020 . 1 . . . A 8 ARG HA . 18110 1 76 . 1 1 8 8 ARG HB2 H 1 1.723 0.020 . 1 . . . A 8 ARG HB2 . 18110 1 77 . 1 1 8 8 ARG HG2 H 1 1.509 0.020 . 1 . . . A 8 ARG HG2 . 18110 1 78 . 1 1 8 8 ARG HG3 H 1 1.509 0.020 . 1 . . . A 8 ARG HG3 . 18110 1 79 . 1 1 8 8 ARG HD2 H 1 3.037 0.020 . 1 . . . A 8 ARG HD2 . 18110 1 80 . 1 1 8 8 ARG HD3 H 1 3.037 0.020 . 1 . . . A 8 ARG HD3 . 18110 1 81 . 1 1 8 8 ARG CA C 13 53.378 0.3 . 1 . . . A 8 ARG CA . 18110 1 82 . 1 1 8 8 ARG CB C 13 27.726 0.3 . 1 . . . A 8 ARG CB . 18110 1 83 . 1 1 8 8 ARG CG C 13 24.145 0.3 . 1 . . . A 8 ARG CG . 18110 1 84 . 1 1 8 8 ARG N N 15 122.922 0.3 . 1 . . . A 8 ARG N . 18110 1 85 . 1 1 9 9 GLY H H 1 8.539 0.020 . 1 . . . A 9 GLY H . 18110 1 86 . 1 1 9 9 GLY HA2 H 1 3.856 0.020 . 2 . . . A 9 GLY HA2 . 18110 1 87 . 1 1 9 9 GLY HA3 H 1 3.747 0.020 . 2 . . . A 9 GLY HA3 . 18110 1 88 . 1 1 9 9 GLY CA C 13 42.612 0.3 . 1 . . . A 9 GLY CA . 18110 1 89 . 1 1 9 9 GLY N N 15 110.866 0.3 . 1 . . . A 9 GLY N . 18110 1 90 . 1 1 10 10 GLU H H 1 8.195 0.020 . 1 . . . A 10 GLU H . 18110 1 91 . 1 1 10 10 GLU HA H 1 4.156 0.020 . 1 . . . A 10 GLU HA . 18110 1 92 . 1 1 10 10 GLU HB2 H 1 1.962 0.020 . 2 . . . A 10 GLU HB2 . 18110 1 93 . 1 1 10 10 GLU HB3 H 1 1.780 0.020 . 2 . . . A 10 GLU HB3 . 18110 1 94 . 1 1 10 10 GLU CA C 13 53.540 0.3 . 1 . . . A 10 GLU CA . 18110 1 95 . 1 1 10 10 GLU CB C 13 27.196 0.3 . 1 . . . A 10 GLU CB . 18110 1 96 . 1 1 10 10 GLU CG C 13 33.008 0.3 . 1 . . . A 10 GLU CG . 18110 1 97 . 1 1 10 10 GLU N N 15 120.279 0.3 . 1 . . . A 10 GLU N . 18110 1 98 . 1 1 11 11 GLU H H 1 8.245 0.020 . 1 . . . A 11 GLU H . 18110 1 99 . 1 1 11 11 GLU HA H 1 4.099 0.020 . 1 . . . A 11 GLU HA . 18110 1 100 . 1 1 11 11 GLU HB2 H 1 1.921 0.020 . 2 . . . A 11 GLU HB2 . 18110 1 101 . 1 1 11 11 GLU HB3 H 1 1.805 0.020 . 2 . . . A 11 GLU HB3 . 18110 1 102 . 1 1 11 11 GLU HG2 H 1 2.174 0.020 . 1 . . . A 11 GLU HG2 . 18110 1 103 . 1 1 11 11 GLU HG3 H 1 2.174 0.020 . 1 . . . A 11 GLU HG3 . 18110 1 104 . 1 1 11 11 GLU CA C 13 53.832 0.3 . 1 . . . A 11 GLU CA . 18110 1 105 . 1 1 11 11 GLU CB C 13 26.742 0.3 . 1 . . . A 11 GLU CB . 18110 1 106 . 1 1 11 11 GLU CG C 13 33.252 0.3 . 1 . . . A 11 GLU CG . 18110 1 107 . 1 1 11 11 GLU N N 15 120.899 0.3 . 1 . . . A 11 GLU N . 18110 1 108 . 1 1 12 12 ARG H H 1 8.250 0.020 . 1 . . . A 12 ARG H . 18110 1 109 . 1 1 12 12 ARG HA H 1 4.186 0.020 . 1 . . . A 12 ARG HA . 18110 1 110 . 1 1 12 12 ARG HB2 H 1 1.723 0.020 . 2 . . . A 12 ARG HB2 . 18110 1 111 . 1 1 12 12 ARG HB3 H 1 1.624 0.020 . 2 . . . A 12 ARG HB3 . 18110 1 112 . 1 1 12 12 ARG HG2 H 1 1.462 0.020 . 1 . . . A 12 ARG HG2 . 18110 1 113 . 1 1 12 12 ARG HG3 H 1 1.462 0.020 . 1 . . . A 12 ARG HG3 . 18110 1 114 . 1 1 12 12 ARG HD2 H 1 3.027 0.020 . 1 . . . A 12 ARG HD2 . 18110 1 115 . 1 1 12 12 ARG HD3 H 1 3.027 0.020 . 1 . . . A 12 ARG HD3 . 18110 1 116 . 1 1 12 12 ARG CA C 13 52.989 0.3 . 1 . . . A 12 ARG CA . 18110 1 117 . 1 1 12 12 ARG CB C 13 27.272 0.3 . 1 . . . A 12 ARG CB . 18110 1 118 . 1 1 12 12 ARG CG C 13 24.226 0.3 . 1 . . . A 12 ARG CG . 18110 1 119 . 1 1 12 12 ARG CD C 13 40.488 0.3 . 1 . . . A 12 ARG CD . 18110 1 120 . 1 1 12 12 ARG N N 15 122.019 0.3 . 1 . . . A 12 ARG N . 18110 1 121 . 1 1 13 13 LYS H H 1 8.240 0.020 . 1 . . . A 13 LYS H . 18110 1 122 . 1 1 13 13 LYS HA H 1 4.163 0.020 . 1 . . . A 13 LYS HA . 18110 1 123 . 1 1 13 13 LYS HB2 H 1 1.704 0.020 . 1 . . . A 13 LYS HB2 . 18110 1 124 . 1 1 13 13 LYS HB3 H 1 1.704 0.020 . 1 . . . A 13 LYS HB3 . 18110 1 125 . 1 1 13 13 LYS HG2 H 1 1.281 0.020 . 1 . . . A 13 LYS HG2 . 18110 1 126 . 1 1 13 13 LYS HG3 H 1 1.281 0.020 . 1 . . . A 13 LYS HG3 . 18110 1 127 . 1 1 13 13 LYS HD2 H 1 1.540 0.020 . 1 . . . A 13 LYS HD2 . 18110 1 128 . 1 1 13 13 LYS HD3 H 1 1.540 0.020 . 1 . . . A 13 LYS HD3 . 18110 1 129 . 1 1 13 13 LYS HE2 H 1 2.855 0.020 . 1 . . . A 13 LYS HE2 . 18110 1 130 . 1 1 13 13 LYS HE3 H 1 2.855 0.020 . 1 . . . A 13 LYS HE3 . 18110 1 131 . 1 1 13 13 LYS CA C 13 53.021 0.3 . 1 . . . A 13 LYS CA . 18110 1 132 . 1 1 13 13 LYS CB C 13 29.995 0.3 . 1 . . . A 13 LYS CB . 18110 1 133 . 1 1 13 13 LYS CG C 13 21.705 0.3 . 1 . . . A 13 LYS CG . 18110 1 134 . 1 1 13 13 LYS CD C 13 26.096 0.3 . 1 . . . A 13 LYS CD . 18110 1 135 . 1 1 13 13 LYS CE C 13 39.251 0.3 . 1 . . . A 13 LYS CE . 18110 1 136 . 1 1 13 13 LYS N N 15 122.805 0.3 . 1 . . . A 13 LYS N . 18110 1 137 . 1 1 14 14 ALA H H 1 8.250 0.020 . 1 . . . A 14 ALA H . 18110 1 138 . 1 1 14 14 ALA HA H 1 4.413 0.020 . 1 . . . A 14 ALA HA . 18110 1 139 . 1 1 14 14 ALA HB1 H 1 1.217 0.020 . 1 . . . A 14 ALA HB . 18110 1 140 . 1 1 14 14 ALA HB2 H 1 1.217 0.020 . 1 . . . A 14 ALA HB . 18110 1 141 . 1 1 14 14 ALA HB3 H 1 1.217 0.020 . 1 . . . A 14 ALA HB . 18110 1 142 . 1 1 14 14 ALA CA C 13 47.671 0.3 . 1 . . . A 14 ALA CA . 18110 1 143 . 1 1 14 14 ALA CB C 13 15.016 0.3 . 1 . . . A 14 ALA CB . 18110 1 144 . 1 1 14 14 ALA N N 15 126.590 0.3 . 1 . . . A 14 ALA N . 18110 1 145 . 1 1 16 16 GLU H H 1 8.585 0.020 . 1 . . . . 16 GLU H . 18110 1 146 . 1 1 16 16 GLU HA H 1 4.065 0.020 . 1 . . . . 16 GLU HA . 18110 1 147 . 1 1 16 16 GLU HB2 H 1 1.889 0.020 . 2 . . . . 16 GLU HB2 . 18110 1 148 . 1 1 16 16 GLU HB3 H 1 1.795 0.020 . 2 . . . . 16 GLU HB3 . 18110 1 149 . 1 1 16 16 GLU HG2 H 1 2.143 0.020 . 1 . . . . 16 GLU HG2 . 18110 1 150 . 1 1 16 16 GLU HG3 H 1 2.143 0.020 . 1 . . . . 16 GLU HG3 . 18110 1 151 . 1 1 16 16 GLU CA C 13 54.124 0.3 . 1 . . . . 16 GLU CA . 18110 1 152 . 1 1 16 16 GLU CB C 13 26.893 0.3 . 1 . . . . 16 GLU CB . 18110 1 153 . 1 1 16 16 GLU CG C 13 33.089 0.3 . 1 . . . . 16 GLU CG . 18110 1 154 . 1 1 16 16 GLU N N 15 119.943 0.3 . 1 . . . . 16 GLU N . 18110 1 155 . 1 1 17 17 ASN H H 1 8.210 0.020 . 1 . . . . 17 ASN H . 18110 1 156 . 1 1 17 17 ASN HA H 1 4.565 0.020 . 1 . . . . 17 ASN HA . 18110 1 157 . 1 1 17 17 ASN HB2 H 1 2.754 0.020 . 2 . . . . 17 ASN HB2 . 18110 1 158 . 1 1 17 17 ASN HB3 H 1 2.662 0.020 . 2 . . . . 17 ASN HB3 . 18110 1 159 . 1 1 17 17 ASN CA C 13 50.330 0.3 . 1 . . . . 17 ASN CA . 18110 1 160 . 1 1 17 17 ASN CB C 13 35.745 0.3 . 1 . . . . 17 ASN CB . 18110 1 161 . 1 1 17 17 ASN N N 15 117.894 0.3 . 1 . . . . 17 ASN N . 18110 1 162 . 1 1 18 18 GLN H H 1 8.250 0.020 . 1 . . . . 18 GLN H . 18110 1 163 . 1 1 18 18 GLN HA H 1 4.077 0.020 . 1 . . . . 18 GLN HA . 18110 1 164 . 1 1 18 18 GLN HB2 H 1 1.960 0.020 . 2 . . . . 18 GLN HB2 . 18110 1 165 . 1 1 18 18 GLN HB3 H 1 1.810 0.020 . 2 . . . . 18 GLN HB3 . 18110 1 166 . 1 1 18 18 GLN HG2 H 1 2.173 0.020 . 1 . . . . 18 GLN HG2 . 18110 1 167 . 1 1 18 18 GLN HG3 H 1 2.173 0.020 . 1 . . . . 18 GLN HG3 . 18110 1 168 . 1 1 18 18 GLN CA C 13 52.956 0.3 . 1 . . . . 18 GLN CA . 18110 1 169 . 1 1 18 18 GLN CB C 13 26.515 0.3 . 1 . . . . 18 GLN CB . 18110 1 170 . 1 1 18 18 GLN N N 15 120.795 0.3 . 1 . . . . 18 GLN N . 18110 1 171 . 1 1 19 19 GLU H H 1 8.347 0.020 . 1 . . . . 19 GLU H . 18110 1 172 . 1 1 19 19 GLU HA H 1 4.081 0.020 . 1 . . . . 19 GLU HA . 18110 1 173 . 1 1 19 19 GLU HB2 H 1 1.946 0.020 . 2 . . . . 19 GLU HB2 . 18110 1 174 . 1 1 19 19 GLU HB3 H 1 1.810 0.020 . 2 . . . . 19 GLU HB3 . 18110 1 175 . 1 1 19 19 GLU HG2 H 1 2.148 0.020 . 1 . . . . 19 GLU HG2 . 18110 1 176 . 1 1 19 19 GLU HG3 H 1 2.148 0.020 . 1 . . . . 19 GLU HG3 . 18110 1 177 . 1 1 19 19 GLU CA C 13 53.929 0.3 . 1 . . . . 19 GLU CA . 18110 1 178 . 1 1 19 19 GLU CB C 13 26.591 0.3 . 1 . . . . 19 GLU CB . 18110 1 179 . 1 1 19 19 GLU CG C 13 32.845 0.3 . 1 . . . . 19 GLU CG . 18110 1 180 . 1 1 19 19 GLU N N 15 121.241 0.3 . 1 . . . . 19 GLU N . 18110 1 181 . 1 1 20 20 GLU H H 1 8.259 0.020 . 1 . . . . 20 GLU H . 18110 1 182 . 1 1 20 20 GLU HA H 1 4.065 0.020 . 1 . . . . 20 GLU HA . 18110 1 183 . 1 1 20 20 GLU HB2 H 1 1.826 0.020 . 1 . . . . 20 GLU HB2 . 18110 1 184 . 1 1 20 20 GLU HB3 H 1 1.826 0.020 . 1 . . . . 20 GLU HB3 . 18110 1 185 . 1 1 20 20 GLU HG2 H 1 2.118 0.020 . 1 . . . . 20 GLU HG2 . 18110 1 186 . 1 1 20 20 GLU HG3 H 1 2.118 0.020 . 1 . . . . 20 GLU HG3 . 18110 1 187 . 1 1 20 20 GLU CA C 13 53.864 0.3 . 1 . . . . 20 GLU CA . 18110 1 188 . 1 1 20 20 GLU CB C 13 26.818 0.3 . 1 . . . . 20 GLU CB . 18110 1 189 . 1 1 20 20 GLU CG C 13 33.089 0.3 . 1 . . . . 20 GLU CG . 18110 1 190 . 1 1 20 20 GLU N N 15 121.391 0.3 . 1 . . . . 20 GLU N . 18110 1 191 . 1 1 21 21 GLU H H 1 8.236 0.020 . 1 . . . . 21 GLU H . 18110 1 192 . 1 1 21 21 GLU HA H 1 4.197 0.020 . 1 . . . . 21 GLU HA . 18110 1 193 . 1 1 21 21 GLU HB2 H 1 1.990 0.020 . 2 . . . . 21 GLU HB2 . 18110 1 194 . 1 1 21 21 GLU HB3 H 1 1.831 0.020 . 2 . . . . 21 GLU HB3 . 18110 1 195 . 1 1 21 21 GLU HG2 H 1 2.200 0.020 . 1 . . . . 21 GLU HG2 . 18110 1 196 . 1 1 21 21 GLU HG3 H 1 2.200 0.020 . 1 . . . . 21 GLU HG3 . 18110 1 197 . 1 1 21 21 GLU CA C 13 53.605 0.3 . 1 . . . . 21 GLU CA . 18110 1 198 . 1 1 21 21 GLU CB C 13 27.045 0.3 . 1 . . . . 21 GLU CB . 18110 1 199 . 1 1 21 21 GLU CG C 13 32.926 0.3 . 1 . . . . 21 GLU CG . 18110 1 200 . 1 1 21 21 GLU N N 15 120.699 0.3 . 1 . . . . 21 GLU N . 18110 1 201 . 1 1 22 22 GLU H H 1 8.270 0.020 . 1 . . . . 22 GLU H . 18110 1 202 . 1 1 22 22 GLU HA H 1 4.072 0.020 . 1 . . . . 22 GLU HA . 18110 1 203 . 1 1 22 22 GLU HB2 H 1 1.918 0.020 . 2 . . . . 22 GLU HB2 . 18110 1 204 . 1 1 22 22 GLU HB3 H 1 1.833 0.020 . 2 . . . . 22 GLU HB3 . 18110 1 205 . 1 1 22 22 GLU HG2 H 1 2.143 0.020 . 1 . . . . 22 GLU HG2 . 18110 1 206 . 1 1 22 22 GLU HG3 H 1 2.143 0.020 . 1 . . . . 22 GLU HG3 . 18110 1 207 . 1 1 22 22 GLU CA C 13 53.378 0.3 . 1 . . . . 22 GLU CA . 18110 1 208 . 1 1 22 22 GLU CG C 13 32.682 0.3 . 1 . . . . 22 GLU CG . 18110 1 209 . 1 1 22 22 GLU N N 15 121.468 0.3 . 1 . . . . 22 GLU N . 18110 1 210 . 1 1 23 23 GLU H H 1 8.270 0.020 . 1 . . . . 23 GLU H . 18110 1 211 . 1 1 23 23 GLU HA H 1 4.067 0.020 . 1 . . . . 23 GLU HA . 18110 1 212 . 1 1 23 23 GLU HB2 H 1 1.834 0.020 . 1 . . . . 23 GLU HB2 . 18110 1 213 . 1 1 23 23 GLU HB3 H 1 1.834 0.020 . 1 . . . . 23 GLU HB3 . 18110 1 214 . 1 1 23 23 GLU HG2 H 1 2.144 0.020 . 1 . . . . 23 GLU HG2 . 18110 1 215 . 1 1 23 23 GLU HG3 H 1 2.144 0.020 . 1 . . . . 23 GLU HG3 . 18110 1 216 . 1 1 23 23 GLU CA C 13 54.149 0.3 . 1 . . . . 23 GLU CA . 18110 1 217 . 1 1 23 23 GLU CB C 13 27.072 0.3 . 1 . . . . 23 GLU CB . 18110 1 218 . 1 1 23 23 GLU CG C 13 32.845 0.3 . 1 . . . . 23 GLU CG . 18110 1 219 . 1 1 23 23 GLU N N 15 121.711 0.3 . 1 . . . . 23 GLU N . 18110 1 220 . 1 1 24 24 ARG H H 1 8.147 0.020 . 1 . . . . 24 ARG H . 18110 1 221 . 1 1 24 24 ARG HA H 1 4.124 0.020 . 1 . . . . 24 ARG HA . 18110 1 222 . 1 1 24 24 ARG HB2 H 1 1.704 0.020 . 2 . . . . 24 ARG HB2 . 18110 1 223 . 1 1 24 24 ARG HB3 H 1 1.621 0.020 . 2 . . . . 24 ARG HB3 . 18110 1 224 . 1 1 24 24 ARG HG2 H 1 1.462 0.020 . 1 . . . . 24 ARG HG2 . 18110 1 225 . 1 1 24 24 ARG HG3 H 1 1.462 0.020 . 1 . . . . 24 ARG HG3 . 18110 1 226 . 1 1 24 24 ARG HD2 H 1 3.027 0.020 . 1 . . . . 24 ARG HD2 . 18110 1 227 . 1 1 24 24 ARG HD3 H 1 3.027 0.020 . 1 . . . . 24 ARG HD3 . 18110 1 228 . 1 1 24 24 ARG CA C 13 53.119 0.3 . 1 . . . . 24 ARG CA . 18110 1 229 . 1 1 24 24 ARG CB C 13 27.423 0.3 . 1 . . . . 24 ARG CB . 18110 1 230 . 1 1 24 24 ARG CG C 13 24.226 0.3 . 1 . . . . 24 ARG CG . 18110 1 231 . 1 1 24 24 ARG CD C 13 40.443 0.3 . 1 . . . . 24 ARG CD . 18110 1 232 . 1 1 24 24 ARG N N 15 121.861 0.3 . 1 . . . . 24 ARG N . 18110 1 233 . 1 1 25 25 ALA H H 1 8.163 0.020 . 1 . . . . 25 ALA H . 18110 1 234 . 1 1 25 25 ALA HA H 1 4.130 0.020 . 1 . . . . 25 ALA HA . 18110 1 235 . 1 1 25 25 ALA HB1 H 1 1.236 0.020 . 1 . . . . 25 ALA HB . 18110 1 236 . 1 1 25 25 ALA HB2 H 1 1.236 0.020 . 1 . . . . 25 ALA HB . 18110 1 237 . 1 1 25 25 ALA HB3 H 1 1.236 0.020 . 1 . . . . 25 ALA HB . 18110 1 238 . 1 1 25 25 ALA CA C 13 49.876 0.3 . 1 . . . . 25 ALA CA . 18110 1 239 . 1 1 25 25 ALA CB C 13 16.075 0.3 . 1 . . . . 25 ALA CB . 18110 1 240 . 1 1 25 25 ALA N N 15 124.853 0.3 . 1 . . . . 25 ALA N . 18110 1 241 . 1 1 26 26 GLU H H 1 8.250 0.020 . 1 . . . . 26 GLU H . 18110 1 242 . 1 1 26 26 GLU HA H 1 4.080 0.020 . 1 . . . . 26 GLU HA . 18110 1 243 . 1 1 26 26 GLU HB2 H 1 1.886 0.020 . 2 . . . . 26 GLU HB2 . 18110 1 244 . 1 1 26 26 GLU HB3 H 1 1.780 0.020 . 2 . . . . 26 GLU HB3 . 18110 1 245 . 1 1 26 26 GLU HG2 H 1 2.135 0.020 . 1 . . . . 26 GLU HG2 . 18110 1 246 . 1 1 26 26 GLU HG3 H 1 2.135 0.020 . 1 . . . . 26 GLU HG3 . 18110 1 247 . 1 1 26 26 GLU CA C 13 53.605 0.3 . 1 . . . . 26 GLU CA . 18110 1 248 . 1 1 26 26 GLU CB C 13 26.667 0.3 . 1 . . . . 26 GLU CB . 18110 1 249 . 1 1 26 26 GLU CG C 13 32.926 0.3 . 1 . . . . 26 GLU CG . 18110 1 250 . 1 1 26 26 GLU N N 15 119.357 0.3 . 1 . . . . 26 GLU N . 18110 1 251 . 1 1 27 27 LEU H H 1 8.037 0.020 . 1 . . . . 27 LEU H . 18110 1 252 . 1 1 27 27 LEU HA H 1 4.171 0.020 . 1 . . . . 27 LEU HA . 18110 1 253 . 1 1 27 27 LEU HG H 1 1.462 0.020 . 1 . . . . 27 LEU HG . 18110 1 254 . 1 1 27 27 LEU HD11 H 1 0.736 0.020 . 1 . . . . 27 LEU HD1 . 18110 1 255 . 1 1 27 27 LEU HD12 H 1 0.736 0.020 . 1 . . . . 27 LEU HD1 . 18110 1 256 . 1 1 27 27 LEU HD13 H 1 0.736 0.020 . 1 . . . . 27 LEU HD1 . 18110 1 257 . 1 1 27 27 LEU HD21 H 1 0.736 0.020 . 1 . . . . 27 LEU HD2 . 18110 1 258 . 1 1 27 27 LEU HD22 H 1 0.736 0.020 . 1 . . . . 27 LEU HD2 . 18110 1 259 . 1 1 27 27 LEU HD23 H 1 0.736 0.020 . 1 . . . . 27 LEU HD2 . 18110 1 260 . 1 1 27 27 LEU CA C 13 52.243 0.3 . 1 . . . . 27 LEU CA . 18110 1 261 . 1 1 27 27 LEU CB C 13 39.149 0.3 . 1 . . . . 27 LEU CB . 18110 1 262 . 1 1 27 27 LEU CG C 13 24.063 0.3 . 1 . . . . 27 LEU CG . 18110 1 263 . 1 1 27 27 LEU CD1 C 13 22.030 0.3 . 1 . . . . 27 LEU CD1 . 18110 1 264 . 1 1 27 27 LEU CD2 C 13 20.567 0.3 . 1 . . . . 27 LEU CD2 . 18110 1 265 . 1 1 27 27 LEU N N 15 122.281 0.3 . 1 . . . . 27 LEU N . 18110 1 266 . 1 1 28 28 ASN H H 1 8.305 0.020 . 1 . . . . 28 ASN H . 18110 1 267 . 1 1 28 28 ASN HA H 1 4.535 0.020 . 1 . . . . 28 ASN HA . 18110 1 268 . 1 1 28 28 ASN HB2 H 1 2.703 0.020 . 2 . . . . 28 ASN HB2 . 18110 1 269 . 1 1 28 28 ASN HB3 H 1 2.602 0.020 . 2 . . . . 28 ASN HB3 . 18110 1 270 . 1 1 28 28 ASN CA C 13 50.265 0.3 . 1 . . . . 28 ASN CA . 18110 1 271 . 1 1 28 28 ASN CB C 13 35.821 0.3 . 1 . . . . 28 ASN CB . 18110 1 272 . 1 1 28 28 ASN N N 15 119.118 0.3 . 1 . . . . 28 ASN N . 18110 1 273 . 1 1 29 29 GLN H H 1 8.233 0.020 . 1 . . . . 29 GLN H . 18110 1 274 . 1 1 29 29 GLN HA H 1 4.141 0.020 . 1 . . . . 29 GLN HA . 18110 1 275 . 1 1 29 29 GLN HB2 H 1 1.977 0.020 . 2 . . . . 29 GLN HB2 . 18110 1 276 . 1 1 29 29 GLN HB3 H 1 1.841 0.020 . 2 . . . . 29 GLN HB3 . 18110 1 277 . 1 1 29 29 GLN HG2 H 1 2.165 0.020 . 1 . . . . 29 GLN HG2 . 18110 1 278 . 1 1 29 29 GLN HG3 H 1 2.165 0.020 . 1 . . . . 29 GLN HG3 . 18110 1 279 . 1 1 29 29 GLN CA C 13 52.957 0.3 . 1 . . . . 29 GLN CA . 18110 1 280 . 1 1 29 29 GLN CB C 13 26.061 0.3 . 1 . . . . 29 GLN CB . 18110 1 281 . 1 1 29 29 GLN N N 15 120.191 0.3 . 1 . . . . 29 GLN N . 18110 1 282 . 1 1 30 30 SER H H 1 8.248 0.020 . 1 . . . . 30 SER H . 18110 1 283 . 1 1 30 30 SER HA H 1 4.292 0.020 . 1 . . . . 30 SER HA . 18110 1 284 . 1 1 30 30 SER HB2 H 1 3.730 0.020 . 1 . . . . 30 SER HB2 . 18110 1 285 . 1 1 30 30 SER HB3 H 1 3.730 0.020 . 1 . . . . 30 SER HB3 . 18110 1 286 . 1 1 30 30 SER CA C 13 55.518 0.3 . 1 . . . . 30 SER CA . 18110 1 287 . 1 1 30 30 SER CB C 13 60.786 0.3 . 1 . . . . 30 SER CB . 18110 1 288 . 1 1 30 30 SER N N 15 116.695 0.3 . 1 . . . . 30 SER N . 18110 1 289 . 1 1 31 31 GLU H H 1 8.297 0.020 . 1 . . . . 31 GLU H . 18110 1 290 . 1 1 31 31 GLU HA H 1 4.179 0.020 . 1 . . . . 31 GLU HA . 18110 1 291 . 1 1 31 31 GLU HB2 H 1 1.924 0.020 . 2 . . . . 31 GLU HB2 . 18110 1 292 . 1 1 31 31 GLU HB3 H 1 1.754 0.020 . 2 . . . . 31 GLU HB3 . 18110 1 293 . 1 1 31 31 GLU HG2 H 1 2.102 0.020 . 1 . . . . 31 GLU HG2 . 18110 1 294 . 1 1 31 31 GLU HG3 H 1 2.102 0.020 . 1 . . . . 31 GLU HG3 . 18110 1 295 . 1 1 31 31 GLU CA C 13 52.994 0.3 . 1 . . . . 31 GLU CA . 18110 1 296 . 1 1 31 31 GLU CB C 13 27.120 0.3 . 1 . . . . 31 GLU CB . 18110 1 297 . 1 1 31 31 GLU CG C 13 33.495 0.3 . 1 . . . . 31 GLU CG . 18110 1 298 . 1 1 31 31 GLU N N 15 122.324 0.3 . 1 . . . . 31 GLU N . 18110 1 299 . 1 1 32 32 GLU H H 1 8.440 0.020 . 1 . . . . 32 GLU H . 18110 1 300 . 1 1 32 32 GLU HA H 1 4.080 0.020 . 1 . . . . 32 GLU HA . 18110 1 301 . 1 1 32 32 GLU HB2 H 1 1.838 0.020 . 1 . . . . 32 GLU HB2 . 18110 1 302 . 1 1 32 32 GLU HB3 H 1 1.838 0.020 . 1 . . . . 32 GLU HB3 . 18110 1 303 . 1 1 32 32 GLU HG2 H 1 2.113 0.020 . 1 . . . . 32 GLU HG2 . 18110 1 304 . 1 1 32 32 GLU HG3 H 1 2.113 0.020 . 1 . . . . 32 GLU HG3 . 18110 1 305 . 1 1 32 32 GLU CA C 13 53.832 0.3 . 1 . . . . 32 GLU CA . 18110 1 306 . 1 1 32 32 GLU CB C 13 27.120 0.3 . 1 . . . . 32 GLU CB . 18110 1 307 . 1 1 32 32 GLU N N 15 121.780 0.3 . 1 . . . . 32 GLU N . 18110 1 308 . 1 1 34 34 GLU H H 1 8.431 0.020 . 1 . . . . 34 GLU H . 18110 1 309 . 1 1 34 34 GLU HA H 1 4.080 0.020 . 1 . . . . 34 GLU HA . 18110 1 310 . 1 1 34 34 GLU HB2 H 1 1.893 0.020 . 2 . . . . 34 GLU HB2 . 18110 1 311 . 1 1 34 34 GLU HB3 H 1 1.785 0.020 . 2 . . . . 34 GLU HB3 . 18110 1 312 . 1 1 34 34 GLU HG2 H 1 2.166 0.020 . 1 . . . . 34 GLU HG2 . 18110 1 313 . 1 1 34 34 GLU HG3 H 1 2.166 0.020 . 1 . . . . 34 GLU HG3 . 18110 1 314 . 1 1 34 34 GLU CA C 13 53.335 0.3 . 1 . . . . 34 GLU CA . 18110 1 315 . 1 1 34 34 GLU CB C 13 26.893 0.3 . 1 . . . . 34 GLU CB . 18110 1 316 . 1 1 34 34 GLU CG C 13 32.926 0.3 . 1 . . . . 34 GLU CG . 18110 1 317 . 1 1 34 34 GLU N N 15 121.105 0.3 . 1 . . . . 34 GLU N . 18110 1 318 . 1 1 35 35 ALA H H 1 8.296 0.020 . 1 . . . . 35 ALA H . 18110 1 319 . 1 1 35 35 ALA HA H 1 4.171 0.020 . 1 . . . . 35 ALA HA . 18110 1 320 . 1 1 35 35 ALA HB1 H 1 1.245 0.020 . 1 . . . . 35 ALA HB . 18110 1 321 . 1 1 35 35 ALA HB2 H 1 1.245 0.020 . 1 . . . . 35 ALA HB . 18110 1 322 . 1 1 35 35 ALA HB3 H 1 1.245 0.020 . 1 . . . . 35 ALA HB . 18110 1 323 . 1 1 35 35 ALA CA C 13 49.681 0.3 . 1 . . . . 35 ALA CA . 18110 1 324 . 1 1 35 35 ALA CB C 13 16.151 0.3 . 1 . . . . 35 ALA CB . 18110 1 325 . 1 1 35 35 ALA N N 15 125.374 0.3 . 1 . . . . 35 ALA N . 18110 1 326 . 1 1 36 36 GLY H H 1 8.247 0.020 . 1 . . . . 36 GLY H . 18110 1 327 . 1 1 36 36 GLY HA2 H 1 3.800 0.020 . 1 . . . . 36 GLY HA2 . 18110 1 328 . 1 1 36 36 GLY HA3 H 1 3.800 0.020 . 1 . . . . 36 GLY HA3 . 18110 1 329 . 1 1 36 36 GLY CA C 13 42.126 0.3 . 1 . . . . 36 GLY CA . 18110 1 330 . 1 1 36 36 GLY N N 15 108.005 0.3 . 1 . . . . 36 GLY N . 18110 1 331 . 1 1 37 37 GLU H H 1 8.198 0.020 . 1 . . . . 37 GLU H . 18110 1 332 . 1 1 37 37 GLU HA H 1 4.171 0.020 . 1 . . . . 37 GLU HA . 18110 1 333 . 1 1 37 37 GLU HB2 H 1 1.946 0.020 . 2 . . . . 37 GLU HB2 . 18110 1 334 . 1 1 37 37 GLU HB3 H 1 1.795 0.020 . 2 . . . . 37 GLU HB3 . 18110 1 335 . 1 1 37 37 GLU HG2 H 1 2.112 0.020 . 1 . . . . 37 GLU HG2 . 18110 1 336 . 1 1 37 37 GLU HG3 H 1 2.112 0.020 . 1 . . . . 37 GLU HG3 . 18110 1 337 . 1 1 37 37 GLU CA C 13 53.363 0.3 . 1 . . . . 37 GLU CA . 18110 1 338 . 1 1 37 37 GLU CB C 13 27.196 0.3 . 1 . . . . 37 GLU CB . 18110 1 339 . 1 1 37 37 GLU CG C 13 33.089 0.3 . 1 . . . . 37 GLU CG . 18110 1 340 . 1 1 37 37 GLU N N 15 120.397 0.3 . 1 . . . . 37 GLU N . 18110 1 341 . 1 1 38 38 SER H H 1 8.362 0.020 . 1 . . . . 38 SER H . 18110 1 342 . 1 1 38 38 SER HA H 1 4.353 0.020 . 1 . . . . 38 SER HA . 18110 1 343 . 1 1 38 38 SER HB2 H 1 3.744 0.020 . 1 . . . . 38 SER HB2 . 18110 1 344 . 1 1 38 38 SER HB3 H 1 3.744 0.020 . 1 . . . . 38 SER HB3 . 18110 1 345 . 1 1 38 38 SER CA C 13 55.356 0.3 . 1 . . . . 38 SER CA . 18110 1 346 . 1 1 38 38 SER CB C 13 60.635 0.3 . 1 . . . . 38 SER CB . 18110 1 347 . 1 1 38 38 SER N N 15 116.797 0.3 . 1 . . . . 38 SER N . 18110 1 348 . 1 1 39 39 SER H H 1 8.378 0.020 . 1 . . . . 39 SER H . 18110 1 349 . 1 1 39 39 SER HA H 1 4.429 0.020 . 1 . . . . 39 SER HA . 18110 1 350 . 1 1 39 39 SER HB2 H 1 3.763 0.020 . 1 . . . . 39 SER HB2 . 18110 1 351 . 1 1 39 39 SER HB3 H 1 3.763 0.020 . 1 . . . . 39 SER HB3 . 18110 1 352 . 1 1 39 39 SER CA C 13 55.421 0.3 . 1 . . . . 39 SER CA . 18110 1 353 . 1 1 39 39 SER CB C 13 60.560 0.3 . 1 . . . . 39 SER CB . 18110 1 354 . 1 1 39 39 SER N N 15 118.032 0.3 . 1 . . . . 39 SER N . 18110 1 355 . 1 1 40 40 THR H H 1 8.141 0.020 . 1 . . . . 40 THR H . 18110 1 356 . 1 1 40 40 THR HA H 1 4.292 0.020 . 1 . . . . 40 THR HA . 18110 1 357 . 1 1 40 40 THR HB H 1 4.164 0.020 . 1 . . . . 40 THR HB . 18110 1 358 . 1 1 40 40 THR HG21 H 1 1.075 0.020 . 1 . . . . 40 THR HG1 . 18110 1 359 . 1 1 40 40 THR HG22 H 1 1.075 0.020 . 1 . . . . 40 THR HG1 . 18110 1 360 . 1 1 40 40 THR HG23 H 1 1.075 0.020 . 1 . . . . 40 THR HG1 . 18110 1 361 . 1 1 40 40 THR CA C 13 58.988 0.3 . 1 . . . . 40 THR CA . 18110 1 362 . 1 1 40 40 THR CB C 13 66.612 0.3 . 1 . . . . 40 THR CB . 18110 1 363 . 1 1 40 40 THR N N 15 114.868 0.3 . 1 . . . . 40 THR N . 18110 1 364 . 1 1 41 41 GLY H H 1 8.266 0.020 . 1 . . . . 41 GLY H . 18110 1 365 . 1 1 41 41 GLY HA2 H 1 3.869 0.020 . 1 . . . . 41 GLY HA2 . 18110 1 366 . 1 1 41 41 GLY HA3 H 1 3.869 0.020 . 1 . . . . 41 GLY HA3 . 18110 1 367 . 1 1 41 41 GLY CA C 13 42.320 0.3 . 1 . . . . 41 GLY CA . 18110 1 368 . 1 1 41 41 GLY N N 15 110.981 0.3 . 1 . . . . 41 GLY N . 18110 1 369 . 1 1 42 42 GLY H H 1 8.012 0.020 . 1 . . . . 42 GLY H . 18110 1 370 . 1 1 42 42 GLY HA2 H 1 4.020 0.020 . 2 . . . . 42 GLY HA2 . 18110 1 371 . 1 1 42 42 GLY HA3 H 1 3.899 0.020 . 2 . . . . 42 GLY HA3 . 18110 1 372 . 1 1 42 42 GLY CA C 13 41.250 0.3 . 1 . . . . 42 GLY CA . 18110 1 373 . 1 1 42 42 GLY N N 15 109.356 0.3 . 1 . . . . 42 GLY N . 18110 1 stop_ save_