data_28092 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 28092 _Entry.Title ; Art v 3 allergen from Artemisia vulgaris ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-03-06 _Entry.Accession_date 2020-03-06 _Entry.Last_release_date 2020-03-06 _Entry.Original_release_date 2020-03-06 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.14.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _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.ORCID _Entry_author.Entry_ID 1 Martina 'Di Muzio' . . . . 28092 2 Sabrina Wildner . . . . 28092 3 Gabriele Gadermaier . . . . 28092 4 Mario Schubert . . . . 28092 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 2 28092 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 537 28092 '15N chemical shifts' 192 28092 '1H chemical shifts' 679 28092 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 . . 2021-01-25 2020-03-06 update author 'update entry citation' 28092 1 . . 2020-10-09 2020-03-06 original author 'original release' 28092 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 6FRR 'crystal structure of the same protein, same construct' 28092 stop_ save_ ############### # Citations # ############### save_paper _Citation.Sf_category citations _Citation.Sf_framecode paper _Citation.Entry_ID 28092 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33037072 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Hydrogen/deuterium exchange memory NMR reveals structural epitopes involved in IgE cross-reactivity of allergenic lipid transfer proteins ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 295 _Citation.Journal_issue 51 _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 17398 _Citation.Page_last 17398 _Citation.Year 2020 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Martina 'Di Muzio' . . . . 28092 1 2 Sabrina Wildner . . . . 28092 1 3 Sara Huber . . . . 28092 1 4 Michael Hauser . . . . 28092 1 5 Eva Vejvar . . . . 28092 1 6 Werner Auzinger . . . . 28092 1 7 Christof Regl . . . . 28092 1 8 Josef Laimer . . . . 28092 1 9 Danila Zennaro . . . . 28092 1 10 Nicole Wopfner . . . . 28092 1 11 Christian Huber . G. . . 28092 1 12 Ronald 'van Ree' . . . . 28092 1 13 Adriano Mari . . . . 28092 1 14 Peter Lackner . . . . 28092 1 15 Fatima Ferreira . . . . 28092 1 16 Mario Schubert . . . . 28092 1 17 Gabriele Gadermaier . . . . 28092 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID allergen 28092 1 'lipid transfer protein' 28092 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 28092 _Assembly.ID 1 _Assembly.Name 'Artv3 solution' _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 Artv3 1 $Artv3 A . yes native no no . . . 28092 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 6FRR . . X-ray . . . 28092 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID allergen 28092 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Artv3 _Entity.Sf_category entity _Entity.Sf_framecode Artv3 _Entity.Entry_ID 28092 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Artv3 _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 ; MIKCSDVSNKISACLSYLKQ GGEVPADCCTGVKGLNDAAK TTPDRQTACNCLKTTFKSNK DFKSDFAASLPSKCGVNIPY KISLETDCNKVK ; _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 92 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 . 28092 1 2 . ILE . 28092 1 3 . LYS . 28092 1 4 . CYS . 28092 1 5 . SER . 28092 1 6 . ASP . 28092 1 7 . VAL . 28092 1 8 . SER . 28092 1 9 . ASN . 28092 1 10 . LYS . 28092 1 11 . ILE . 28092 1 12 . SER . 28092 1 13 . ALA . 28092 1 14 . CYS . 28092 1 15 . LEU . 28092 1 16 . SER . 28092 1 17 . TYR . 28092 1 18 . LEU . 28092 1 19 . LYS . 28092 1 20 . GLN . 28092 1 21 . GLY . 28092 1 22 . GLY . 28092 1 23 . GLU . 28092 1 24 . VAL . 28092 1 25 . PRO . 28092 1 26 . ALA . 28092 1 27 . ASP . 28092 1 28 . CYS . 28092 1 29 . CYS . 28092 1 30 . THR . 28092 1 31 . GLY . 28092 1 32 . VAL . 28092 1 33 . LYS . 28092 1 34 . GLY . 28092 1 35 . LEU . 28092 1 36 . ASN . 28092 1 37 . ASP . 28092 1 38 . ALA . 28092 1 39 . ALA . 28092 1 40 . LYS . 28092 1 41 . THR . 28092 1 42 . THR . 28092 1 43 . PRO . 28092 1 44 . ASP . 28092 1 45 . ARG . 28092 1 46 . GLN . 28092 1 47 . THR . 28092 1 48 . ALA . 28092 1 49 . CYS . 28092 1 50 . ASN . 28092 1 51 . CYS . 28092 1 52 . LEU . 28092 1 53 . LYS . 28092 1 54 . THR . 28092 1 55 . THR . 28092 1 56 . PHE . 28092 1 57 . LYS . 28092 1 58 . SER . 28092 1 59 . ASN . 28092 1 60 . LYS . 28092 1 61 . ASP . 28092 1 62 . PHE . 28092 1 63 . LYS . 28092 1 64 . SER . 28092 1 65 . ASP . 28092 1 66 . PHE . 28092 1 67 . ALA . 28092 1 68 . ALA . 28092 1 69 . SER . 28092 1 70 . LEU . 28092 1 71 . PRO . 28092 1 72 . SER . 28092 1 73 . LYS . 28092 1 74 . CYS . 28092 1 75 . GLY . 28092 1 76 . VAL . 28092 1 77 . ASN . 28092 1 78 . ILE . 28092 1 79 . PRO . 28092 1 80 . TYR . 28092 1 81 . LYS . 28092 1 82 . ILE . 28092 1 83 . SER . 28092 1 84 . LEU . 28092 1 85 . GLU . 28092 1 86 . THR . 28092 1 87 . ASP . 28092 1 88 . CYS . 28092 1 89 . ASN . 28092 1 90 . LYS . 28092 1 91 . VAL . 28092 1 92 . LYS . 28092 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 28092 1 . ILE 2 2 28092 1 . LYS 3 3 28092 1 . CYS 4 4 28092 1 . SER 5 5 28092 1 . ASP 6 6 28092 1 . VAL 7 7 28092 1 . SER 8 8 28092 1 . ASN 9 9 28092 1 . LYS 10 10 28092 1 . ILE 11 11 28092 1 . SER 12 12 28092 1 . ALA 13 13 28092 1 . CYS 14 14 28092 1 . LEU 15 15 28092 1 . SER 16 16 28092 1 . TYR 17 17 28092 1 . LEU 18 18 28092 1 . LYS 19 19 28092 1 . GLN 20 20 28092 1 . GLY 21 21 28092 1 . GLY 22 22 28092 1 . GLU 23 23 28092 1 . VAL 24 24 28092 1 . PRO 25 25 28092 1 . ALA 26 26 28092 1 . ASP 27 27 28092 1 . CYS 28 28 28092 1 . CYS 29 29 28092 1 . THR 30 30 28092 1 . GLY 31 31 28092 1 . VAL 32 32 28092 1 . LYS 33 33 28092 1 . GLY 34 34 28092 1 . LEU 35 35 28092 1 . ASN 36 36 28092 1 . ASP 37 37 28092 1 . ALA 38 38 28092 1 . ALA 39 39 28092 1 . LYS 40 40 28092 1 . THR 41 41 28092 1 . THR 42 42 28092 1 . PRO 43 43 28092 1 . ASP 44 44 28092 1 . ARG 45 45 28092 1 . GLN 46 46 28092 1 . THR 47 47 28092 1 . ALA 48 48 28092 1 . CYS 49 49 28092 1 . ASN 50 50 28092 1 . CYS 51 51 28092 1 . LEU 52 52 28092 1 . LYS 53 53 28092 1 . THR 54 54 28092 1 . THR 55 55 28092 1 . PHE 56 56 28092 1 . LYS 57 57 28092 1 . SER 58 58 28092 1 . ASN 59 59 28092 1 . LYS 60 60 28092 1 . ASP 61 61 28092 1 . PHE 62 62 28092 1 . LYS 63 63 28092 1 . SER 64 64 28092 1 . ASP 65 65 28092 1 . PHE 66 66 28092 1 . ALA 67 67 28092 1 . ALA 68 68 28092 1 . SER 69 69 28092 1 . LEU 70 70 28092 1 . PRO 71 71 28092 1 . SER 72 72 28092 1 . LYS 73 73 28092 1 . CYS 74 74 28092 1 . GLY 75 75 28092 1 . VAL 76 76 28092 1 . ASN 77 77 28092 1 . ILE 78 78 28092 1 . PRO 79 79 28092 1 . TYR 80 80 28092 1 . LYS 81 81 28092 1 . ILE 82 82 28092 1 . SER 83 83 28092 1 . LEU 84 84 28092 1 . GLU 85 85 28092 1 . THR 86 86 28092 1 . ASP 87 87 28092 1 . CYS 88 88 28092 1 . ASN 89 89 28092 1 . LYS 90 90 28092 1 . VAL 91 91 28092 1 . LYS 92 92 28092 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 28092 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Artv3 . 4220 organism . 'Artemisia vulgaris' 'Artemisia vulgaris' . . Eukaryota Viridiplantae Artemisia vulgaris . . . . . . . . . . . . . 28092 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 28092 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Artv3 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pHis Parallel2' . . . 28092 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 28092 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 Artv3 '[U-98% 13C; U-98% 15N]' . . 1 $Artv3 . . 1.36 . . mM . . . . 28092 1 2 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 28092 1 3 'sodium chloride' 'natural abundance' . . . . . . 10 . . mM . . . . 28092 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 28092 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _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' 30 . mM 28092 1 pH 6.0 . pH 28092 1 pressure 1 . atm 28092 1 temperature 278 . K 28092 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 28092 _Sample_condition_list.ID 2 _Sample_condition_list.Name . _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' 30 . mM 28092 2 pH 6.0 . pH 28092 2 pressure 1 . atm 28092 2 temperature 298 . K 28092 2 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 28092 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version 3.2 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 28092 1 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 28092 1 processing . 28092 1 stop_ save_ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 28092 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version 3.115 _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 28092 2 stop_ loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 28092 2 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 28092 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 28092 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . 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 . 600 . . . 28092 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 28092 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_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.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28092 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28092 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28092 1 4 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28092 1 5 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28092 1 6 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28092 1 7 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28092 1 8 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28092 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28092 1 10 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28092 1 11 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . . 28092 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 28092 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 28092 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 28092 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 28092 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_278K _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_278K _Assigned_chem_shift_list.Entry_ID 28092 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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' . . . 28092 1 2 '2D 1H-13C HSQC' . . . 28092 1 3 '3D CBCA(CO)NH' . . . 28092 1 4 '3D HNCA' . . . 28092 1 5 '3D HNCACB' . . . 28092 1 6 '3D HNCO' . . . 28092 1 7 '3D HN(CA)CO' . . . 28092 1 8 '3D 1H-13C NOESY aliphatic' . . . 28092 1 9 '3D 1H-15N NOESY' . . . 28092 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 4.369 0.01 . 1 . . . . . 1 M HA . 28092 1 2 . 1 . 1 1 1 MET HB2 H 1 2.166 0.01 . 2 . . . . . 1 M QB . 28092 1 3 . 1 . 1 1 1 MET HB3 H 1 2.166 0.01 . 2 . . . . . 1 M QB . 28092 1 4 . 1 . 1 1 1 MET HG2 H 1 2.613 0.01 . 2 . . . . . 1 M QG . 28092 1 5 . 1 . 1 1 1 MET HG3 H 1 2.613 0.01 . 2 . . . . . 1 M QG . 28092 1 6 . 1 . 1 1 1 MET HE1 H 1 2.106 0.01 . 1 . . . . . 1 M HE# . 28092 1 7 . 1 . 1 1 1 MET HE2 H 1 2.106 0.01 . 1 . . . . . 1 M HE# . 28092 1 8 . 1 . 1 1 1 MET HE3 H 1 2.106 0.01 . 1 . . . . . 1 M HE# . 28092 1 9 . 1 . 1 1 1 MET C C 13 172.096 0.2 . 1 . . . . . 1 M C . 28092 1 10 . 1 . 1 1 1 MET CA C 13 54.888 0.2 . 1 . . . . . 1 M CA . 28092 1 11 . 1 . 1 1 1 MET CB C 13 32.542 0.2 . 1 . . . . . 1 M CB . 28092 1 12 . 1 . 1 1 1 MET CG C 13 30.967 0.2 . 1 . . . . . 1 M CG . 28092 1 13 . 1 . 1 1 1 MET CE C 13 16.685 0.2 . 1 . . . . . 1 M CE . 28092 1 14 . 1 . 1 2 2 ILE H H 1 8.499 0.01 . 1 . . . . . 2 I H . 28092 1 15 . 1 . 1 2 2 ILE HA H 1 4.407 0.01 . 1 . . . . . 2 I HA . 28092 1 16 . 1 . 1 2 2 ILE HB H 1 1.831 0.01 . 1 . . . . . 2 I HB . 28092 1 17 . 1 . 1 2 2 ILE HG12 H 1 1.653 0.01 . 2 . . . . . 2 I HG12 . 28092 1 18 . 1 . 1 2 2 ILE HG13 H 1 1.316 0.01 . 2 . . . . . 2 I HG13 . 28092 1 19 . 1 . 1 2 2 ILE HG21 H 1 0.806 0.01 . 1 . . . . . 2 I QG2 . 28092 1 20 . 1 . 1 2 2 ILE HG22 H 1 0.806 0.01 . 1 . . . . . 2 I QG2 . 28092 1 21 . 1 . 1 2 2 ILE HG23 H 1 0.806 0.01 . 1 . . . . . 2 I QG2 . 28092 1 22 . 1 . 1 2 2 ILE HD11 H 1 0.757 0.01 . 1 . . . . . 2 I QD1 . 28092 1 23 . 1 . 1 2 2 ILE HD12 H 1 0.757 0.01 . 1 . . . . . 2 I QD1 . 28092 1 24 . 1 . 1 2 2 ILE HD13 H 1 0.757 0.01 . 1 . . . . . 2 I QD1 . 28092 1 25 . 1 . 1 2 2 ILE C C 13 173.040 0.2 . 1 . . . . . 2 I C . 28092 1 26 . 1 . 1 2 2 ILE CA C 13 60.457 0.2 . 1 . . . . . 2 I CA . 28092 1 27 . 1 . 1 2 2 ILE CB C 13 39.888 0.2 . 1 . . . . . 2 I CB . 28092 1 28 . 1 . 1 2 2 ILE CG1 C 13 28.116 0.2 . 1 . . . . . 2 I CG1 . 28092 1 29 . 1 . 1 2 2 ILE CG2 C 13 16.913 0.2 . 1 . . . . . 2 I CG2 . 28092 1 30 . 1 . 1 2 2 ILE CD1 C 13 13.006 0.2 . 1 . . . . . 2 I CD1 . 28092 1 31 . 1 . 1 2 2 ILE N N 15 125.463 0.2 . 1 . . . . . 2 I N . 28092 1 32 . 1 . 1 3 3 LYS H H 1 8.770 0.01 . 1 . . . . . 3 K H . 28092 1 33 . 1 . 1 3 3 LYS HA H 1 4.751 0.01 . 1 . . . . . 3 K HA . 28092 1 34 . 1 . 1 3 3 LYS HB2 H 1 2.019 0.01 . 2 . . . . . 3 K HB2 . 28092 1 35 . 1 . 1 3 3 LYS HB3 H 1 1.754 0.01 . 2 . . . . . 3 K HB3 . 28092 1 36 . 1 . 1 3 3 LYS HG2 H 1 1.486 0.01 . 2 . . . . . 3 K QG . 28092 1 37 . 1 . 1 3 3 LYS HG3 H 1 1.486 0.01 . 2 . . . . . 3 K QG . 28092 1 38 . 1 . 1 3 3 LYS C C 13 178.540 0.2 . 1 . . . . . 3 K C . 28092 1 39 . 1 . 1 3 3 LYS CA C 13 54.116 0.2 . 1 . . . . . 3 K CA . 28092 1 40 . 1 . 1 3 3 LYS CB C 13 35.034 0.2 . 1 . . . . . 3 K CB . 28092 1 41 . 1 . 1 3 3 LYS CG C 13 24.705 0.2 . 1 . . . . . 3 K CG . 28092 1 42 . 1 . 1 3 3 LYS N N 15 123.684 0.2 . 1 . . . . . 3 K N . 28092 1 43 . 1 . 1 4 4 CYS H H 1 9.432 0.01 . 1 . . . . . 4 C H . 28092 1 44 . 1 . 1 4 4 CYS HA H 1 4.579 0.01 . 1 . . . . . 4 C HA . 28092 1 45 . 1 . 1 4 4 CYS HB2 H 1 3.399 0.01 . 2 . . . . . 4 C HB2 . 28092 1 46 . 1 . 1 4 4 CYS HB3 H 1 2.801 0.01 . 2 . . . . . 4 C HB3 . 28092 1 47 . 1 . 1 4 4 CYS C C 13 177.940 0.2 . 1 . . . . . 4 C C . 28092 1 48 . 1 . 1 4 4 CYS CA C 13 55.411 0.2 . 1 . . . . . 4 C CA . 28092 1 49 . 1 . 1 4 4 CYS CB C 13 31.700 0.2 . 1 . . . . . 4 C CB . 28092 1 50 . 1 . 1 4 4 CYS N N 15 120.050 0.2 . 1 . . . . . 4 C N . 28092 1 51 . 1 . 1 5 5 SER H H 1 8.886 0.01 . 1 . . . . . 5 S H . 28092 1 52 . 1 . 1 5 5 SER HA H 1 4.165 0.01 . 1 . . . . . 5 S HA . 28092 1 53 . 1 . 1 5 5 SER HB2 H 1 3.928 0.01 . 2 . . . . . 5 S HB2 . 28092 1 54 . 1 . 1 5 5 SER HB3 H 1 3.841 0.01 . 2 . . . . . 5 S HB3 . 28092 1 55 . 1 . 1 5 5 SER C C 13 176.915 0.2 . 1 . . . . . 5 S C . 28092 1 56 . 1 . 1 5 5 SER CA C 13 61.275 0.2 . 1 . . . . . 5 S CA . 28092 1 57 . 1 . 1 5 5 SER CB C 13 61.181 0.2 . 1 . . . . . 5 S CB . 28092 1 58 . 1 . 1 5 5 SER N N 15 116.849 0.2 . 1 . . . . . 5 S N . 28092 1 59 . 1 . 1 6 6 ASP H H 1 7.180 0.01 . 1 . . . . . 6 D H . 28092 1 60 . 1 . 1 6 6 ASP HA H 1 4.591 0.01 . 1 . . . . . 6 D HA . 28092 1 61 . 1 . 1 6 6 ASP HB2 H 1 3.060 0.01 . 2 . . . . . 6 D HB2 . 28092 1 62 . 1 . 1 6 6 ASP HB3 H 1 2.783 0.01 . 2 . . . . . 6 D HB3 . 28092 1 63 . 1 . 1 6 6 ASP C C 13 178.172 0.2 . 1 . . . . . 6 D C . 28092 1 64 . 1 . 1 6 6 ASP CA C 13 57.228 0.2 . 1 . . . . . 6 D CA . 28092 1 65 . 1 . 1 6 6 ASP CB C 13 41.267 0.2 . 1 . . . . . 6 D CB . 28092 1 66 . 1 . 1 6 6 ASP N N 15 122.140 0.2 . 1 . . . . . 6 D N . 28092 1 67 . 1 . 1 7 7 VAL H H 1 7.445 0.01 . 1 . . . . . 7 V H . 28092 1 68 . 1 . 1 7 7 VAL HA H 1 3.440 0.01 . 1 . . . . . 7 V HA . 28092 1 69 . 1 . 1 7 7 VAL HB H 1 2.403 0.01 . 1 . . . . . 7 V HB . 28092 1 70 . 1 . 1 7 7 VAL HG11 H 1 1.005 0.01 . 2 . . . . . 7 V QG1 . 28092 1 71 . 1 . 1 7 7 VAL HG12 H 1 1.005 0.01 . 2 . . . . . 7 V QG1 . 28092 1 72 . 1 . 1 7 7 VAL HG13 H 1 1.005 0.01 . 2 . . . . . 7 V QG1 . 28092 1 73 . 1 . 1 7 7 VAL HG21 H 1 0.906 0.01 . 2 . . . . . 7 V QG2 . 28092 1 74 . 1 . 1 7 7 VAL HG22 H 1 0.906 0.01 . 2 . . . . . 7 V QG2 . 28092 1 75 . 1 . 1 7 7 VAL HG23 H 1 0.906 0.01 . 2 . . . . . 7 V QG2 . 28092 1 76 . 1 . 1 7 7 VAL C C 13 177.316 0.2 . 1 . . . . . 7 V C . 28092 1 77 . 1 . 1 7 7 VAL CA C 13 66.866 0.2 . 1 . . . . . 7 V CA . 28092 1 78 . 1 . 1 7 7 VAL CB C 13 31.190 0.2 . 1 . . . . . 7 V CB . 28092 1 79 . 1 . 1 7 7 VAL CG1 C 13 22.237 0.2 . 2 . . . . . 7 V CG1 . 28092 1 80 . 1 . 1 7 7 VAL CG2 C 13 20.988 0.2 . 2 . . . . . 7 V CG2 . 28092 1 81 . 1 . 1 7 7 VAL N N 15 120.074 0.2 . 1 . . . . . 7 V N . 28092 1 82 . 1 . 1 8 8 SER H H 1 8.684 0.01 . 1 . . . . . 8 S H . 28092 1 83 . 1 . 1 8 8 SER HA H 1 3.968 0.01 . 1 . . . . . 8 S HA . 28092 1 84 . 1 . 1 8 8 SER HB2 H 1 3.971 0.01 . 2 . . . . . 8 S HB2 . 28092 1 85 . 1 . 1 8 8 SER HB3 H 1 3.875 0.01 . 2 . . . . . 8 S HB3 . 28092 1 86 . 1 . 1 8 8 SER C C 13 176.969 0.2 . 1 . . . . . 8 S C . 28092 1 87 . 1 . 1 8 8 SER CA C 13 62.155 0.2 . 1 . . . . . 8 S CA . 28092 1 88 . 1 . 1 8 8 SER CB C 13 62.257 0.2 . 1 . . . . . 8 S CB . 28092 1 89 . 1 . 1 8 8 SER N N 15 113.811 0.2 . 1 . . . . . 8 S N . 28092 1 90 . 1 . 1 9 9 ASN H H 1 7.777 0.01 . 1 . . . . . 9 N H . 28092 1 91 . 1 . 1 9 9 ASN HA H 1 4.526 0.01 . 1 . . . . . 9 N HA . 28092 1 92 . 1 . 1 9 9 ASN HB2 H 1 3.058 0.01 . 2 . . . . . 9 N HB2 . 28092 1 93 . 1 . 1 9 9 ASN HB3 H 1 2.952 0.01 . 2 . . . . . 9 N HB3 . 28092 1 94 . 1 . 1 9 9 ASN HD21 H 1 7.872 0.01 . 2 . . . . . 9 N HD21 . 28092 1 95 . 1 . 1 9 9 ASN HD22 H 1 7.086 0.01 . 2 . . . . . 9 N HD22 . 28092 1 96 . 1 . 1 9 9 ASN C C 13 178.346 0.2 . 1 . . . . . 9 N C . 28092 1 97 . 1 . 1 9 9 ASN CA C 13 56.349 0.2 . 1 . . . . . 9 N CA . 28092 1 98 . 1 . 1 9 9 ASN CB C 13 38.390 0.2 . 1 . . . . . 9 N CB . 28092 1 99 . 1 . 1 9 9 ASN CG C 13 176.050 0.2 . 1 . . . . . 9 N CG . 28092 1 100 . 1 . 1 9 9 ASN N N 15 119.302 0.2 . 1 . . . . . 9 N N . 28092 1 101 . 1 . 1 9 9 ASN ND2 N 15 113.276 0.2 . 1 . . . . . 9 N ND2 . 28092 1 102 . 1 . 1 10 10 LYS H H 1 7.989 0.01 . 1 . . . . . 10 K H . 28092 1 103 . 1 . 1 10 10 LYS HA H 1 4.220 0.01 . 1 . . . . . 10 K HA . 28092 1 104 . 1 . 1 10 10 LYS HB2 H 1 2.119 0.01 . 2 . . . . . 10 K HB2 . 28092 1 105 . 1 . 1 10 10 LYS HB3 H 1 2.034 0.01 . 2 . . . . . 10 K HB3 . 28092 1 106 . 1 . 1 10 10 LYS HG2 H 1 1.783 0.01 . 2 . . . . . 10 K HG2 . 28092 1 107 . 1 . 1 10 10 LYS HG3 H 1 1.432 0.01 . 2 . . . . . 10 K HG3 . 28092 1 108 . 1 . 1 10 10 LYS HE2 H 1 2.873 0.01 . 2 . . . . . 10 K HE2 . 28092 1 109 . 1 . 1 10 10 LYS HE3 H 1 2.795 0.01 . 2 . . . . . 10 K HE3 . 28092 1 110 . 1 . 1 10 10 LYS C C 13 178.311 0.2 . 1 . . . . . 10 K C . 28092 1 111 . 1 . 1 10 10 LYS CA C 13 58.479 0.2 . 1 . . . . . 10 K CA . 28092 1 112 . 1 . 1 10 10 LYS CB C 13 32.224 0.2 . 1 . . . . . 10 K CB . 28092 1 113 . 1 . 1 10 10 LYS CG C 13 25.569 0.2 . 1 . . . . . 10 K CG . 28092 1 114 . 1 . 1 10 10 LYS CE C 13 42.238 0.2 . 1 . . . . . 10 K CE . 28092 1 115 . 1 . 1 10 10 LYS N N 15 118.813 0.2 . 1 . . . . . 10 K N . 28092 1 116 . 1 . 1 11 11 ILE H H 1 7.518 0.01 . 1 . . . . . 11 I H . 28092 1 117 . 1 . 1 11 11 ILE HA H 1 4.627 0.01 . 1 . . . . . 11 I HA . 28092 1 118 . 1 . 1 11 11 ILE HB H 1 1.906 0.01 . 1 . . . . . 11 I HB . 28092 1 119 . 1 . 1 11 11 ILE HG12 H 1 1.373 0.01 . 2 . . . . . 11 I QG1 . 28092 1 120 . 1 . 1 11 11 ILE HG13 H 1 1.373 0.01 . 2 . . . . . 11 I QG1 . 28092 1 121 . 1 . 1 11 11 ILE HG21 H 1 0.841 0.01 . 1 . . . . . 11 I QG2 . 28092 1 122 . 1 . 1 11 11 ILE HG22 H 1 0.841 0.01 . 1 . . . . . 11 I QG2 . 28092 1 123 . 1 . 1 11 11 ILE HG23 H 1 0.841 0.01 . 1 . . . . . 11 I QG2 . 28092 1 124 . 1 . 1 11 11 ILE HD11 H 1 0.719 0.01 . 1 . . . . . 11 I QD1 . 28092 1 125 . 1 . 1 11 11 ILE HD12 H 1 0.719 0.01 . 1 . . . . . 11 I QD1 . 28092 1 126 . 1 . 1 11 11 ILE HD13 H 1 0.719 0.01 . 1 . . . . . 11 I QD1 . 28092 1 127 . 1 . 1 11 11 ILE C C 13 177.621 0.2 . 1 . . . . . 11 I C . 28092 1 128 . 1 . 1 11 11 ILE CA C 13 60.137 0.2 . 1 . . . . . 11 I CA . 28092 1 129 . 1 . 1 11 11 ILE CB C 13 39.531 0.2 . 1 . . . . . 11 I CB . 28092 1 130 . 1 . 1 11 11 ILE CG1 C 13 27.049 0.2 . 1 . . . . . 11 I CG1 . 28092 1 131 . 1 . 1 11 11 ILE CG2 C 13 17.287 0.2 . 1 . . . . . 11 I CG2 . 28092 1 132 . 1 . 1 11 11 ILE CD1 C 13 13.756 0.2 . 1 . . . . . 11 I CD1 . 28092 1 133 . 1 . 1 11 11 ILE N N 15 108.380 0.2 . 1 . . . . . 11 I N . 28092 1 134 . 1 . 1 12 12 SER H H 1 7.522 0.01 . 1 . . . . . 12 S H . 28092 1 135 . 1 . 1 12 12 SER HA H 1 4.166 0.01 . 1 . . . . . 12 S HA . 28092 1 136 . 1 . 1 12 12 SER HB2 H 1 4.160 0.01 . 2 . . . . . 12 S HB2 . 28092 1 137 . 1 . 1 12 12 SER HB3 H 1 4.035 0.01 . 2 . . . . . 12 S HB3 . 28092 1 138 . 1 . 1 12 12 SER C C 13 176.874 0.2 . 1 . . . . . 12 S C . 28092 1 139 . 1 . 1 12 12 SER CA C 13 62.054 0.2 . 1 . . . . . 12 S CA . 28092 1 140 . 1 . 1 12 12 SER CB C 13 62.640 0.2 . 1 . . . . . 12 S CB . 28092 1 141 . 1 . 1 12 12 SER N N 15 119.644 0.2 . 1 . . . . . 12 S N . 28092 1 142 . 1 . 1 13 13 ALA H H 1 8.989 0.01 . 1 . . . . . 13 A H . 28092 1 143 . 1 . 1 13 13 ALA HA H 1 4.557 0.01 . 1 . . . . . 13 A HA . 28092 1 144 . 1 . 1 13 13 ALA HB1 H 1 1.353 0.01 . 1 . . . . . 13 A HB . 28092 1 145 . 1 . 1 13 13 ALA HB2 H 1 1.353 0.01 . 1 . . . . . 13 A HB . 28092 1 146 . 1 . 1 13 13 ALA HB3 H 1 1.353 0.01 . 1 . . . . . 13 A HB . 28092 1 147 . 1 . 1 13 13 ALA C C 13 178.601 0.2 . 1 . . . . . 13 A C . 28092 1 148 . 1 . 1 13 13 ALA CA C 13 53.162 0.2 . 1 . . . . . 13 A CA . 28092 1 149 . 1 . 1 13 13 ALA CB C 13 18.157 0.2 . 1 . . . . . 13 A CB . 28092 1 150 . 1 . 1 13 13 ALA N N 15 122.579 0.2 . 1 . . . . . 13 A N . 28092 1 151 . 1 . 1 14 14 CYS H H 1 8.668 0.01 . 1 . . . . . 14 C H . 28092 1 152 . 1 . 1 14 14 CYS HA H 1 4.697 0.01 . 1 . . . . . 14 C HA . 28092 1 153 . 1 . 1 14 14 CYS HB2 H 1 3.226 0.01 . 2 . . . . . 14 C HB2 . 28092 1 154 . 1 . 1 14 14 CYS HB3 H 1 3.229 0.01 . 2 . . . . . 14 C HB3 . 28092 1 155 . 1 . 1 14 14 CYS C C 13 175.025 0.2 . 1 . . . . . 14 C C . 28092 1 156 . 1 . 1 14 14 CYS CA C 13 53.812 0.2 . 1 . . . . . 14 C CA . 28092 1 157 . 1 . 1 14 14 CYS CB C 13 43.008 0.2 . 1 . . . . . 14 C CB . 28092 1 158 . 1 . 1 14 14 CYS N N 15 115.238 0.2 . 1 . . . . . 14 C N . 28092 1 159 . 1 . 1 15 15 LEU H H 1 7.422 0.01 . 1 . . . . . 15 L H . 28092 1 160 . 1 . 1 15 15 LEU HA H 1 3.785 0.01 . 1 . . . . . 15 L HA . 28092 1 161 . 1 . 1 15 15 LEU HB2 H 1 2.026 0.01 . 2 . . . . . 15 L HB2 . 28092 1 162 . 1 . 1 15 15 LEU HB3 H 1 1.550 0.01 . 2 . . . . . 15 L HB3 . 28092 1 163 . 1 . 1 15 15 LEU HG H 1 2.124 0.01 . 1 . . . . . 15 L HG . 28092 1 164 . 1 . 1 15 15 LEU HD11 H 1 1.081 0.01 . 2 . . . . . 15 L QD1 . 28092 1 165 . 1 . 1 15 15 LEU HD12 H 1 1.081 0.01 . 2 . . . . . 15 L QD1 . 28092 1 166 . 1 . 1 15 15 LEU HD13 H 1 1.081 0.01 . 2 . . . . . 15 L QD1 . 28092 1 167 . 1 . 1 15 15 LEU HD21 H 1 0.781 0.01 . 2 . . . . . 15 L QD2 . 28092 1 168 . 1 . 1 15 15 LEU HD22 H 1 0.781 0.01 . 2 . . . . . 15 L QD2 . 28092 1 169 . 1 . 1 15 15 LEU HD23 H 1 0.781 0.01 . 2 . . . . . 15 L QD2 . 28092 1 170 . 1 . 1 15 15 LEU C C 13 178.200 0.2 . 1 . . . . . 15 L C . 28092 1 171 . 1 . 1 15 15 LEU CA C 13 59.504 0.2 . 1 . . . . . 15 L CA . 28092 1 172 . 1 . 1 15 15 LEU CB C 13 40.693 0.2 . 1 . . . . . 15 L CB . 28092 1 173 . 1 . 1 15 15 LEU CG C 13 26.511 0.2 . 1 . . . . . 15 L CG . 28092 1 174 . 1 . 1 15 15 LEU CD1 C 13 25.131 0.2 . 2 . . . . . 15 L CD1 . 28092 1 175 . 1 . 1 15 15 LEU CD2 C 13 21.701 0.2 . 2 . . . . . 15 L CD2 . 28092 1 176 . 1 . 1 15 15 LEU N N 15 118.729 0.2 . 1 . . . . . 15 L N . 28092 1 177 . 1 . 1 16 16 SER H H 1 8.409 0.01 . 1 . . . . . 16 S H . 28092 1 178 . 1 . 1 16 16 SER HA H 1 4.242 0.01 . 1 . . . . . 16 S HA . 28092 1 179 . 1 . 1 16 16 SER HB2 H 1 3.992 0.01 . 2 . . . . . 16 S HB2 . 28092 1 180 . 1 . 1 16 16 SER HB3 H 1 3.954 0.01 . 2 . . . . . 16 S HB3 . 28092 1 181 . 1 . 1 16 16 SER C C 13 176.829 0.2 . 1 . . . . . 16 S C . 28092 1 182 . 1 . 1 16 16 SER CA C 13 62.112 0.2 . 1 . . . . . 16 S CA . 28092 1 183 . 1 . 1 16 16 SER CB C 13 61.941 0.2 . 1 . . . . . 16 S CB . 28092 1 184 . 1 . 1 16 16 SER N N 15 113.614 0.2 . 1 . . . . . 16 S N . 28092 1 185 . 1 . 1 17 17 TYR H H 1 8.523 0.01 . 1 . . . . . 17 Y H . 28092 1 186 . 1 . 1 17 17 TYR HA H 1 4.116 0.01 . 1 . . . . . 17 Y HA . 28092 1 187 . 1 . 1 17 17 TYR HB2 H 1 3.169 0.01 . 2 . . . . . 17 Y HB2 . 28092 1 188 . 1 . 1 17 17 TYR HB3 H 1 2.975 0.01 . 2 . . . . . 17 Y HB3 . 28092 1 189 . 1 . 1 17 17 TYR HD1 H 1 6.626 0.01 . 3 . . . . . 17 Y HD# . 28092 1 190 . 1 . 1 17 17 TYR HD2 H 1 6.626 0.01 . 3 . . . . . 17 Y HD# . 28092 1 191 . 1 . 1 17 17 TYR HE1 H 1 6.662 0.01 . 3 . . . . . 17 Y HE# . 28092 1 192 . 1 . 1 17 17 TYR HE2 H 1 6.662 0.01 . 3 . . . . . 17 Y HE# . 28092 1 193 . 1 . 1 17 17 TYR C C 13 177.124 0.2 . 1 . . . . . 17 Y C . 28092 1 194 . 1 . 1 17 17 TYR CA C 13 60.890 0.2 . 1 . . . . . 17 Y CA . 28092 1 195 . 1 . 1 17 17 TYR CB C 13 37.562 0.2 . 1 . . . . . 17 Y CB . 28092 1 196 . 1 . 1 17 17 TYR CD1 C 13 133.332 0.2 . 3 . . . . . 17 Y CD1 . 28092 1 197 . 1 . 1 17 17 TYR CE1 C 13 117.858 0.2 . 3 . . . . . 17 Y CE1 . 28092 1 198 . 1 . 1 17 17 TYR N N 15 125.458 0.2 . 1 . . . . . 17 Y N . 28092 1 199 . 1 . 1 18 18 LEU H H 1 8.188 0.01 . 1 . . . . . 18 L H . 28092 1 200 . 1 . 1 18 18 LEU HA H 1 3.741 0.01 . 1 . . . . . 18 L HA . 28092 1 201 . 1 . 1 18 18 LEU HB2 H 1 1.762 0.01 . 2 . . . . . 18 L HB2 . 28092 1 202 . 1 . 1 18 18 LEU HB3 H 1 0.948 0.01 . 2 . . . . . 18 L HB3 . 28092 1 203 . 1 . 1 18 18 LEU HD11 H 1 0.943 0.01 . 2 . . . . . 18 L QD1 . 28092 1 204 . 1 . 1 18 18 LEU HD12 H 1 0.943 0.01 . 2 . . . . . 18 L QD1 . 28092 1 205 . 1 . 1 18 18 LEU HD13 H 1 0.943 0.01 . 2 . . . . . 18 L QD1 . 28092 1 206 . 1 . 1 18 18 LEU HD21 H 1 0.436 0.01 . 2 . . . . . 18 L QD2 . 28092 1 207 . 1 . 1 18 18 LEU HD22 H 1 0.436 0.01 . 2 . . . . . 18 L QD2 . 28092 1 208 . 1 . 1 18 18 LEU HD23 H 1 0.436 0.01 . 2 . . . . . 18 L QD2 . 28092 1 209 . 1 . 1 18 18 LEU C C 13 176.578 0.2 . 1 . . . . . 18 L C . 28092 1 210 . 1 . 1 18 18 LEU CA C 13 57.398 0.2 . 1 . . . . . 18 L CA . 28092 1 211 . 1 . 1 18 18 LEU CB C 13 41.880 0.2 . 1 . . . . . 18 L CB . 28092 1 212 . 1 . 1 18 18 LEU CD1 C 13 24.903 0.2 . 2 . . . . . 18 L CD1 . 28092 1 213 . 1 . 1 18 18 LEU CD2 C 13 25.074 0.2 . 2 . . . . . 18 L CD2 . 28092 1 214 . 1 . 1 18 18 LEU N N 15 117.146 0.2 . 1 . . . . . 18 L N . 28092 1 215 . 1 . 1 19 19 LYS H H 1 7.351 0.01 . 1 . . . . . 19 K H . 28092 1 216 . 1 . 1 19 19 LYS HA H 1 4.942 0.01 . 1 . . . . . 19 K HA . 28092 1 217 . 1 . 1 19 19 LYS HB2 H 1 1.942 0.01 . 2 . . . . . 19 K QB . 28092 1 218 . 1 . 1 19 19 LYS HB3 H 1 1.942 0.01 . 2 . . . . . 19 K QB . 28092 1 219 . 1 . 1 19 19 LYS HG2 H 1 1.769 0.01 . 2 . . . . . 19 K HG2 . 28092 1 220 . 1 . 1 19 19 LYS HG3 H 1 1.190 0.01 . 2 . . . . . 19 K HG3 . 28092 1 221 . 1 . 1 19 19 LYS HE3 H 1 2.786 0.01 . 2 . . . . . 19 K HE3 . 28092 1 222 . 1 . 1 19 19 LYS C C 13 178.231 0.2 . 1 . . . . . 19 K C . 28092 1 223 . 1 . 1 19 19 LYS CA C 13 57.855 0.2 . 1 . . . . . 19 K CA . 28092 1 224 . 1 . 1 19 19 LYS CB C 13 34.868 0.2 . 1 . . . . . 19 K CB . 28092 1 225 . 1 . 1 19 19 LYS CG C 13 25.789 0.2 . 1 . . . . . 19 K CG . 28092 1 226 . 1 . 1 19 19 LYS CE C 13 42.179 0.2 . 1 . . . . . 19 K CE . 28092 1 227 . 1 . 1 19 19 LYS N N 15 114.697 0.2 . 1 . . . . . 19 K N . 28092 1 228 . 1 . 1 20 20 GLN H H 1 8.326 0.01 . 1 . . . . . 20 Q H . 28092 1 229 . 1 . 1 20 20 GLN HA H 1 4.618 0.01 . 1 . . . . . 20 Q HA . 28092 1 230 . 1 . 1 20 20 GLN HB2 H 1 2.024 0.01 . 2 . . . . . 20 Q QB . 28092 1 231 . 1 . 1 20 20 GLN HB3 H 1 2.024 0.01 . 2 . . . . . 20 Q QB . 28092 1 232 . 1 . 1 20 20 GLN HG2 H 1 2.416 0.01 . 2 . . . . . 20 Q HG2 . 28092 1 233 . 1 . 1 20 20 GLN HG3 H 1 2.296 0.01 . 2 . . . . . 20 Q HG3 . 28092 1 234 . 1 . 1 20 20 GLN HE21 H 1 7.523 0.01 . 2 . . . . . 20 Q HE21 . 28092 1 235 . 1 . 1 20 20 GLN HE22 H 1 6.956 0.01 . 2 . . . . . 20 Q HE22 . 28092 1 236 . 1 . 1 20 20 GLN C C 13 176.150 0.2 . 1 . . . . . 20 Q C . 28092 1 237 . 1 . 1 20 20 GLN CA C 13 55.600 0.2 . 1 . . . . . 20 Q CA . 28092 1 238 . 1 . 1 20 20 GLN CB C 13 31.326 0.2 . 1 . . . . . 20 Q CB . 28092 1 239 . 1 . 1 20 20 GLN CG C 13 33.425 0.2 . 1 . . . . . 20 Q CG . 28092 1 240 . 1 . 1 20 20 GLN CD C 13 180.704 0.2 . 1 . . . . . 20 Q CD . 28092 1 241 . 1 . 1 20 20 GLN N N 15 114.966 0.2 . 1 . . . . . 20 Q N . 28092 1 242 . 1 . 1 20 20 GLN NE2 N 15 111.731 0.2 . 1 . . . . . 20 Q NE2 . 28092 1 243 . 1 . 1 21 21 GLY H H 1 8.657 0.01 . 1 . . . . . 21 G H . 28092 1 244 . 1 . 1 21 21 GLY HA2 H 1 2.633 0.01 . 2 . . . . . 21 G HA2 . 28092 1 245 . 1 . 1 21 21 GLY HA3 H 1 2.062 0.01 . 2 . . . . . 21 G HA3 . 28092 1 246 . 1 . 1 21 21 GLY C C 13 173.537 0.2 . 1 . . . . . 21 G C . 28092 1 247 . 1 . 1 21 21 GLY CA C 13 44.350 0.2 . 1 . . . . . 21 G CA . 28092 1 248 . 1 . 1 21 21 GLY N N 15 116.964 0.2 . 1 . . . . . 21 G N . 28092 1 249 . 1 . 1 22 22 GLY H H 1 8.338 0.01 . 1 . . . . . 22 G H . 28092 1 250 . 1 . 1 22 22 GLY HA2 H 1 4.213 0.01 . 2 . . . . . 22 G HA2 . 28092 1 251 . 1 . 1 22 22 GLY HA3 H 1 3.644 0.01 . 2 . . . . . 22 G HA3 . 28092 1 252 . 1 . 1 22 22 GLY C C 13 173.859 0.2 . 1 . . . . . 22 G C . 28092 1 253 . 1 . 1 22 22 GLY CA C 13 44.194 0.2 . 1 . . . . . 22 G CA . 28092 1 254 . 1 . 1 22 22 GLY N N 15 109.797 0.2 . 1 . . . . . 22 G N . 28092 1 255 . 1 . 1 23 23 GLU H H 1 8.608 0.01 . 1 . . . . . 23 E H . 28092 1 256 . 1 . 1 23 23 GLU HA H 1 4.150 0.01 . 1 . . . . . 23 E HA . 28092 1 257 . 1 . 1 23 23 GLU HB2 H 1 1.901 0.01 . 2 . . . . . 23 E HB2 . 28092 1 258 . 1 . 1 23 23 GLU HB3 H 1 1.837 0.01 . 2 . . . . . 23 E HB3 . 28092 1 259 . 1 . 1 23 23 GLU HG2 H 1 2.283 0.01 . 2 . . . . . 23 E HG2 . 28092 1 260 . 1 . 1 23 23 GLU HG3 H 1 2.171 0.01 . 2 . . . . . 23 E HG3 . 28092 1 261 . 1 . 1 23 23 GLU C C 13 176.960 0.2 . 1 . . . . . 23 E C . 28092 1 262 . 1 . 1 23 23 GLU CA C 13 55.818 0.2 . 1 . . . . . 23 E CA . 28092 1 263 . 1 . 1 23 23 GLU CB C 13 30.108 0.2 . 1 . . . . . 23 E CB . 28092 1 264 . 1 . 1 23 23 GLU CG C 13 36.051 0.2 . 1 . . . . . 23 E CG . 28092 1 265 . 1 . 1 23 23 GLU N N 15 121.984 0.2 . 1 . . . . . 23 E N . 28092 1 266 . 1 . 1 24 24 VAL H H 1 8.825 0.01 . 1 . . . . . 24 V H . 28092 1 267 . 1 . 1 24 24 VAL HA H 1 3.723 0.01 . 1 . . . . . 24 V HA . 28092 1 268 . 1 . 1 24 24 VAL HB H 1 1.583 0.01 . 1 . . . . . 24 V HB . 28092 1 269 . 1 . 1 24 24 VAL HG11 H 1 0.521 0.01 . 2 . . . . . 24 V QG1 . 28092 1 270 . 1 . 1 24 24 VAL HG12 H 1 0.521 0.01 . 2 . . . . . 24 V QG1 . 28092 1 271 . 1 . 1 24 24 VAL HG13 H 1 0.521 0.01 . 2 . . . . . 24 V QG1 . 28092 1 272 . 1 . 1 24 24 VAL HG21 H 1 0.072 0.01 . 2 . . . . . 24 V QG2 . 28092 1 273 . 1 . 1 24 24 VAL HG22 H 1 0.072 0.01 . 2 . . . . . 24 V QG2 . 28092 1 274 . 1 . 1 24 24 VAL HG23 H 1 0.072 0.01 . 2 . . . . . 24 V QG2 . 28092 1 275 . 1 . 1 24 24 VAL C C 13 174.791 0.2 . 1 . . . . . 24 V C . 28092 1 276 . 1 . 1 24 24 VAL CA C 13 60.220 0.2 . 1 . . . . . 24 V CA . 28092 1 277 . 1 . 1 24 24 VAL CB C 13 32.128 0.2 . 1 . . . . . 24 V CB . 28092 1 278 . 1 . 1 24 24 VAL CG1 C 13 22.887 0.2 . 2 . . . . . 24 V CG1 . 28092 1 279 . 1 . 1 24 24 VAL CG2 C 13 21.143 0.2 . 2 . . . . . 24 V CG2 . 28092 1 280 . 1 . 1 24 24 VAL N N 15 126.904 0.2 . 1 . . . . . 24 V N . 28092 1 281 . 1 . 1 25 25 PRO HA H 1 4.498 0.01 . 1 . . . . . 25 P HA . 28092 1 282 . 1 . 1 25 25 PRO HB2 H 1 2.547 0.01 . 2 . . . . . 25 P HB2 . 28092 1 283 . 1 . 1 25 25 PRO HB3 H 1 1.936 0.01 . 2 . . . . . 25 P HB3 . 28092 1 284 . 1 . 1 25 25 PRO HG2 H 1 2.218 0.01 . 2 . . . . . 25 P HG2 . 28092 1 285 . 1 . 1 25 25 PRO HD2 H 1 4.305 0.01 . 2 . . . . . 25 P HD2 . 28092 1 286 . 1 . 1 25 25 PRO HD3 H 1 3.388 0.01 . 2 . . . . . 25 P HD3 . 28092 1 287 . 1 . 1 25 25 PRO C C 13 178.065 0.2 . 1 . . . . . 25 P C . 28092 1 288 . 1 . 1 25 25 PRO CA C 13 62.737 0.2 . 1 . . . . . 25 P CA . 28092 1 289 . 1 . 1 25 25 PRO CB C 13 32.542 0.2 . 1 . . . . . 25 P CB . 28092 1 290 . 1 . 1 25 25 PRO CG C 13 28.277 0.2 . 1 . . . . . 25 P CG . 28092 1 291 . 1 . 1 25 25 PRO CD C 13 51.252 0.2 . 1 . . . . . 25 P CD . 28092 1 292 . 1 . 1 26 26 ALA H H 1 9.214 0.01 . 1 . . . . . 26 A H . 28092 1 293 . 1 . 1 26 26 ALA HA H 1 4.056 0.01 . 1 . . . . . 26 A HA . 28092 1 294 . 1 . 1 26 26 ALA HB1 H 1 1.454 0.01 . 1 . . . . . 26 A HB . 28092 1 295 . 1 . 1 26 26 ALA HB2 H 1 1.454 0.01 . 1 . . . . . 26 A HB . 28092 1 296 . 1 . 1 26 26 ALA HB3 H 1 1.454 0.01 . 1 . . . . . 26 A HB . 28092 1 297 . 1 . 1 26 26 ALA C C 13 180.389 0.2 . 1 . . . . . 26 A C . 28092 1 298 . 1 . 1 26 26 ALA CA C 13 55.898 0.2 . 1 . . . . . 26 A CA . 28092 1 299 . 1 . 1 26 26 ALA CB C 13 17.859 0.2 . 1 . . . . . 26 A CB . 28092 1 300 . 1 . 1 26 26 ALA N N 15 128.853 0.2 . 1 . . . . . 26 A N . 28092 1 301 . 1 . 1 27 27 ASP H H 1 9.227 0.01 . 1 . . . . . 27 D H . 28092 1 302 . 1 . 1 27 27 ASP HA H 1 4.396 0.01 . 1 . . . . . 27 D HA . 28092 1 303 . 1 . 1 27 27 ASP HB2 H 1 2.631 0.01 . 2 . . . . . 27 D HB2 . 28092 1 304 . 1 . 1 27 27 ASP HB3 H 1 2.513 0.01 . 2 . . . . . 27 D HB3 . 28092 1 305 . 1 . 1 27 27 ASP C C 13 179.832 0.2 . 1 . . . . . 27 D C . 28092 1 306 . 1 . 1 27 27 ASP CA C 13 56.676 0.2 . 1 . . . . . 27 D CA . 28092 1 307 . 1 . 1 27 27 ASP CB C 13 39.234 0.2 . 1 . . . . . 27 D CB . 28092 1 308 . 1 . 1 27 27 ASP N N 15 114.692 0.2 . 1 . . . . . 27 D N . 28092 1 309 . 1 . 1 28 28 CYS H H 1 7.595 0.01 . 1 . . . . . 28 C H . 28092 1 310 . 1 . 1 28 28 CYS HA H 1 4.588 0.01 . 1 . . . . . 28 C HA . 28092 1 311 . 1 . 1 28 28 CYS HB2 H 1 3.307 0.01 . 2 . . . . . 28 C HB2 . 28092 1 312 . 1 . 1 28 28 CYS HB3 H 1 2.825 0.01 . 2 . . . . . 28 C HB3 . 28092 1 313 . 1 . 1 28 28 CYS C C 13 175.364 0.2 . 1 . . . . . 28 C C . 28092 1 314 . 1 . 1 28 28 CYS CA C 13 58.408 0.2 . 1 . . . . . 28 C CA . 28092 1 315 . 1 . 1 28 28 CYS CB C 13 37.532 0.2 . 1 . . . . . 28 C CB . 28092 1 316 . 1 . 1 28 28 CYS N N 15 118.462 0.2 . 1 . . . . . 28 C N . 28092 1 317 . 1 . 1 29 29 CYS H H 1 7.328 0.01 . 1 . . . . . 29 C H . 28092 1 318 . 1 . 1 29 29 CYS HA H 1 4.694 0.01 . 1 . . . . . 29 C HA . 28092 1 319 . 1 . 1 29 29 CYS HB2 H 1 3.170 0.01 . 2 . . . . . 29 C HB2 . 28092 1 320 . 1 . 1 29 29 CYS HB3 H 1 2.905 0.01 . 2 . . . . . 29 C HB3 . 28092 1 321 . 1 . 1 29 29 CYS C C 13 177.925 0.2 . 1 . . . . . 29 C C . 28092 1 322 . 1 . 1 29 29 CYS CA C 13 54.912 0.2 . 1 . . . . . 29 C CA . 28092 1 323 . 1 . 1 29 29 CYS CB C 13 32.025 0.2 . 1 . . . . . 29 C CB . 28092 1 324 . 1 . 1 29 29 CYS N N 15 117.110 0.2 . 1 . . . . . 29 C N . 28092 1 325 . 1 . 1 30 30 THR H H 1 8.867 0.01 . 1 . . . . . 30 T H . 28092 1 326 . 1 . 1 30 30 THR HA H 1 3.925 0.01 . 1 . . . . . 30 T HA . 28092 1 327 . 1 . 1 30 30 THR HB H 1 4.191 0.01 . 1 . . . . . 30 T HB . 28092 1 328 . 1 . 1 30 30 THR HG21 H 1 1.251 0.01 . 1 . . . . . 30 T QG2 . 28092 1 329 . 1 . 1 30 30 THR HG22 H 1 1.251 0.01 . 1 . . . . . 30 T QG2 . 28092 1 330 . 1 . 1 30 30 THR HG23 H 1 1.251 0.01 . 1 . . . . . 30 T QG2 . 28092 1 331 . 1 . 1 30 30 THR C C 13 177.265 0.2 . 1 . . . . . 30 T C . 28092 1 332 . 1 . 1 30 30 THR CA C 13 66.850 0.2 . 1 . . . . . 30 T CA . 28092 1 333 . 1 . 1 30 30 THR CB C 13 68.464 0.2 . 1 . . . . . 30 T CB . 28092 1 334 . 1 . 1 30 30 THR CG2 C 13 22.383 0.2 . 1 . . . . . 30 T CG2 . 28092 1 335 . 1 . 1 30 30 THR N N 15 119.250 0.2 . 1 . . . . . 30 T N . 28092 1 336 . 1 . 1 31 31 GLY H H 1 7.767 0.01 . 1 . . . . . 31 G H . 28092 1 337 . 1 . 1 31 31 GLY HA2 H 1 4.539 0.01 . 2 . . . . . 31 G HA2 . 28092 1 338 . 1 . 1 31 31 GLY HA3 H 1 4.009 0.01 . 2 . . . . . 31 G HA3 . 28092 1 339 . 1 . 1 31 31 GLY C C 13 175.467 0.2 . 1 . . . . . 31 G C . 28092 1 340 . 1 . 1 31 31 GLY CA C 13 47.709 0.2 . 1 . . . . . 31 G CA . 28092 1 341 . 1 . 1 31 31 GLY N N 15 113.406 0.2 . 1 . . . . . 31 G N . 28092 1 342 . 1 . 1 32 32 VAL H H 1 8.632 0.01 . 1 . . . . . 32 V H . 28092 1 343 . 1 . 1 32 32 VAL HA H 1 3.463 0.01 . 1 . . . . . 32 V HA . 28092 1 344 . 1 . 1 32 32 VAL HB H 1 2.159 0.01 . 1 . . . . . 32 V HB . 28092 1 345 . 1 . 1 32 32 VAL HG11 H 1 1.037 0.01 . 2 . . . . . 32 V QG1 . 28092 1 346 . 1 . 1 32 32 VAL HG12 H 1 1.037 0.01 . 2 . . . . . 32 V QG1 . 28092 1 347 . 1 . 1 32 32 VAL HG13 H 1 1.037 0.01 . 2 . . . . . 32 V QG1 . 28092 1 348 . 1 . 1 32 32 VAL HG21 H 1 0.768 0.01 . 2 . . . . . 32 V QG2 . 28092 1 349 . 1 . 1 32 32 VAL HG22 H 1 0.768 0.01 . 2 . . . . . 32 V QG2 . 28092 1 350 . 1 . 1 32 32 VAL HG23 H 1 0.768 0.01 . 2 . . . . . 32 V QG2 . 28092 1 351 . 1 . 1 32 32 VAL C C 13 177.976 0.2 . 1 . . . . . 32 V C . 28092 1 352 . 1 . 1 32 32 VAL CA C 13 66.983 0.2 . 1 . . . . . 32 V CA . 28092 1 353 . 1 . 1 32 32 VAL CB C 13 31.772 0.2 . 1 . . . . . 32 V CB . 28092 1 354 . 1 . 1 32 32 VAL CG1 C 13 23.959 0.2 . 2 . . . . . 32 V CG1 . 28092 1 355 . 1 . 1 32 32 VAL CG2 C 13 21.642 0.2 . 2 . . . . . 32 V CG2 . 28092 1 356 . 1 . 1 32 32 VAL N N 15 122.816 0.2 . 1 . . . . . 32 V N . 28092 1 357 . 1 . 1 33 33 LYS H H 1 8.437 0.01 . 1 . . . . . 33 K H . 28092 1 358 . 1 . 1 33 33 LYS HA H 1 3.936 0.01 . 1 . . . . . 33 K HA . 28092 1 359 . 1 . 1 33 33 LYS HB2 H 1 1.976 0.01 . 2 . . . . . 33 K HB2 . 28092 1 360 . 1 . 1 33 33 LYS HB3 H 1 1.834 0.01 . 2 . . . . . 33 K HB3 . 28092 1 361 . 1 . 1 33 33 LYS HG2 H 1 1.506 0.01 . 2 . . . . . 33 K HG2 . 28092 1 362 . 1 . 1 33 33 LYS HG3 H 1 1.421 0.01 . 2 . . . . . 33 K HG3 . 28092 1 363 . 1 . 1 33 33 LYS C C 13 178.811 0.2 . 1 . . . . . 33 K C . 28092 1 364 . 1 . 1 33 33 LYS CA C 13 60.152 0.2 . 1 . . . . . 33 K CA . 28092 1 365 . 1 . 1 33 33 LYS CB C 13 32.300 0.2 . 1 . . . . . 33 K CB . 28092 1 366 . 1 . 1 33 33 LYS CG C 13 25.577 0.2 . 1 . . . . . 33 K CG . 28092 1 367 . 1 . 1 33 33 LYS N N 15 120.748 0.2 . 1 . . . . . 33 K N . 28092 1 368 . 1 . 1 34 34 GLY H H 1 8.294 0.01 . 1 . . . . . 34 G H . 28092 1 369 . 1 . 1 34 34 GLY HA2 H 1 4.032 0.01 . 2 . . . . . 34 G HA2 . 28092 1 370 . 1 . 1 34 34 GLY HA3 H 1 3.938 0.01 . 2 . . . . . 34 G HA3 . 28092 1 371 . 1 . 1 34 34 GLY C C 13 176.925 0.2 . 1 . . . . . 34 G C . 28092 1 372 . 1 . 1 34 34 GLY CA C 13 47.075 0.2 . 1 . . . . . 34 G CA . 28092 1 373 . 1 . 1 34 34 GLY N N 15 107.061 0.2 . 1 . . . . . 34 G N . 28092 1 374 . 1 . 1 35 35 LEU H H 1 8.760 0.01 . 1 . . . . . 35 L H . 28092 1 375 . 1 . 1 35 35 LEU HA H 1 3.988 0.01 . 1 . . . . . 35 L HA . 28092 1 376 . 1 . 1 35 35 LEU HB2 H 1 2.199 0.01 . 2 . . . . . 35 L HB2 . 28092 1 377 . 1 . 1 35 35 LEU HB3 H 1 1.517 0.01 . 2 . . . . . 35 L HB3 . 28092 1 378 . 1 . 1 35 35 LEU HD11 H 1 0.976 0.01 . 2 . . . . . 35 L QD1 . 28092 1 379 . 1 . 1 35 35 LEU HD12 H 1 0.976 0.01 . 2 . . . . . 35 L QD1 . 28092 1 380 . 1 . 1 35 35 LEU HD13 H 1 0.976 0.01 . 2 . . . . . 35 L QD1 . 28092 1 381 . 1 . 1 35 35 LEU HD21 H 1 0.939 0.01 . 2 . . . . . 35 L QD2 . 28092 1 382 . 1 . 1 35 35 LEU HD22 H 1 0.939 0.01 . 2 . . . . . 35 L QD2 . 28092 1 383 . 1 . 1 35 35 LEU HD23 H 1 0.939 0.01 . 2 . . . . . 35 L QD2 . 28092 1 384 . 1 . 1 35 35 LEU C C 13 177.917 0.2 . 1 . . . . . 35 L C . 28092 1 385 . 1 . 1 35 35 LEU CA C 13 57.921 0.2 . 1 . . . . . 35 L CA . 28092 1 386 . 1 . 1 35 35 LEU CB C 13 41.794 0.2 . 1 . . . . . 35 L CB . 28092 1 387 . 1 . 1 35 35 LEU CD1 C 13 24.480 0.2 . 2 . . . . . 35 L CD1 . 28092 1 388 . 1 . 1 35 35 LEU CD2 C 13 25.759 0.2 . 2 . . . . . 35 L CD2 . 28092 1 389 . 1 . 1 35 35 LEU N N 15 124.896 0.2 . 1 . . . . . 35 L N . 28092 1 390 . 1 . 1 36 36 ASN H H 1 7.887 0.01 . 1 . . . . . 36 N H . 28092 1 391 . 1 . 1 36 36 ASN HA H 1 4.620 0.01 . 1 . . . . . 36 N HA . 28092 1 392 . 1 . 1 36 36 ASN HB2 H 1 3.055 0.01 . 2 . . . . . 36 N HB2 . 28092 1 393 . 1 . 1 36 36 ASN HB3 H 1 2.425 0.01 . 2 . . . . . 36 N HB3 . 28092 1 394 . 1 . 1 36 36 ASN HD21 H 1 8.101 0.01 . 2 . . . . . 36 N HD21 . 28092 1 395 . 1 . 1 36 36 ASN HD22 H 1 6.584 0.01 . 2 . . . . . 36 N HD22 . 28092 1 396 . 1 . 1 36 36 ASN C C 13 177.685 0.2 . 1 . . . . . 36 N C . 28092 1 397 . 1 . 1 36 36 ASN CA C 13 55.493 0.2 . 1 . . . . . 36 N CA . 28092 1 398 . 1 . 1 36 36 ASN CB C 13 39.319 0.2 . 1 . . . . . 36 N CB . 28092 1 399 . 1 . 1 36 36 ASN CG C 13 174.896 0.2 . 1 . . . . . 36 N CG . 28092 1 400 . 1 . 1 36 36 ASN N N 15 117.609 0.2 . 1 . . . . . 36 N N . 28092 1 401 . 1 . 1 36 36 ASN ND2 N 15 114.642 0.2 . 1 . . . . . 36 N ND2 . 28092 1 402 . 1 . 1 37 37 ASP H H 1 8.454 0.01 . 1 . . . . . 37 D H . 28092 1 403 . 1 . 1 37 37 ASP HA H 1 4.294 0.01 . 1 . . . . . 37 D HA . 28092 1 404 . 1 . 1 37 37 ASP HB2 H 1 2.669 0.01 . 2 . . . . . 37 D QB . 28092 1 405 . 1 . 1 37 37 ASP HB3 H 1 2.669 0.01 . 2 . . . . . 37 D QB . 28092 1 406 . 1 . 1 37 37 ASP C C 13 177.029 0.2 . 1 . . . . . 37 D C . 28092 1 407 . 1 . 1 37 37 ASP CA C 13 56.370 0.2 . 1 . . . . . 37 D CA . 28092 1 408 . 1 . 1 37 37 ASP CB C 13 40.494 0.2 . 1 . . . . . 37 D CB . 28092 1 409 . 1 . 1 37 37 ASP N N 15 117.274 0.2 . 1 . . . . . 37 D N . 28092 1 410 . 1 . 1 38 38 ALA H H 1 7.691 0.01 . 1 . . . . . 38 A H . 28092 1 411 . 1 . 1 38 38 ALA HA H 1 4.255 0.01 . 1 . . . . . 38 A HA . 28092 1 412 . 1 . 1 38 38 ALA HB1 H 1 1.465 0.01 . 1 . . . . . 38 A HB . 28092 1 413 . 1 . 1 38 38 ALA HB2 H 1 1.465 0.01 . 1 . . . . . 38 A HB . 28092 1 414 . 1 . 1 38 38 ALA HB3 H 1 1.465 0.01 . 1 . . . . . 38 A HB . 28092 1 415 . 1 . 1 38 38 ALA C C 13 176.951 0.2 . 1 . . . . . 38 A C . 28092 1 416 . 1 . 1 38 38 ALA CA C 13 52.987 0.2 . 1 . . . . . 38 A CA . 28092 1 417 . 1 . 1 38 38 ALA CB C 13 18.892 0.2 . 1 . . . . . 38 A CB . 28092 1 418 . 1 . 1 38 38 ALA N N 15 118.364 0.2 . 1 . . . . . 38 A N . 28092 1 419 . 1 . 1 39 39 ALA H H 1 7.268 0.01 . 1 . . . . . 39 A H . 28092 1 420 . 1 . 1 39 39 ALA HA H 1 4.781 0.01 . 1 . . . . . 39 A HA . 28092 1 421 . 1 . 1 39 39 ALA HB1 H 1 1.213 0.01 . 1 . . . . . 39 A HB . 28092 1 422 . 1 . 1 39 39 ALA HB2 H 1 1.213 0.01 . 1 . . . . . 39 A HB . 28092 1 423 . 1 . 1 39 39 ALA HB3 H 1 1.213 0.01 . 1 . . . . . 39 A HB . 28092 1 424 . 1 . 1 39 39 ALA C C 13 174.665 0.2 . 1 . . . . . 39 A C . 28092 1 425 . 1 . 1 39 39 ALA CA C 13 50.332 0.2 . 1 . . . . . 39 A CA . 28092 1 426 . 1 . 1 39 39 ALA CB C 13 18.091 0.2 . 1 . . . . . 39 A CB . 28092 1 427 . 1 . 1 39 39 ALA N N 15 120.975 0.2 . 1 . . . . . 39 A N . 28092 1 428 . 1 . 1 40 40 LYS H H 1 9.234 0.01 . 1 . . . . . 40 K H . 28092 1 429 . 1 . 1 40 40 LYS HA H 1 4.526 0.01 . 1 . . . . . 40 K HA . 28092 1 430 . 1 . 1 40 40 LYS HB2 H 1 2.006 0.01 . 2 . . . . . 40 K HB2 . 28092 1 431 . 1 . 1 40 40 LYS HB3 H 1 1.797 0.01 . 2 . . . . . 40 K HB3 . 28092 1 432 . 1 . 1 40 40 LYS HG2 H 1 1.501 0.01 . 2 . . . . . 40 K HG2 . 28092 1 433 . 1 . 1 40 40 LYS HG3 H 1 1.446 0.01 . 2 . . . . . 40 K HG3 . 28092 1 434 . 1 . 1 40 40 LYS C C 13 176.598 0.2 . 1 . . . . . 40 K C . 28092 1 435 . 1 . 1 40 40 LYS CA C 13 56.842 0.2 . 1 . . . . . 40 K CA . 28092 1 436 . 1 . 1 40 40 LYS CB C 13 34.499 0.2 . 1 . . . . . 40 K CB . 28092 1 437 . 1 . 1 40 40 LYS CG C 13 24.959 0.2 . 1 . . . . . 40 K CG . 28092 1 438 . 1 . 1 40 40 LYS N N 15 123.642 0.2 . 1 . . . . . 40 K N . 28092 1 439 . 1 . 1 41 41 THR H H 1 7.751 0.01 . 1 . . . . . 41 T H . 28092 1 440 . 1 . 1 41 41 THR HA H 1 4.740 0.01 . 1 . . . . . 41 T HA . 28092 1 441 . 1 . 1 41 41 THR HB H 1 4.552 0.01 . 1 . . . . . 41 T HB . 28092 1 442 . 1 . 1 41 41 THR HG21 H 1 1.287 0.01 . 1 . . . . . 41 T QG2 . 28092 1 443 . 1 . 1 41 41 THR HG22 H 1 1.287 0.01 . 1 . . . . . 41 T QG2 . 28092 1 444 . 1 . 1 41 41 THR HG23 H 1 1.287 0.01 . 1 . . . . . 41 T QG2 . 28092 1 445 . 1 . 1 41 41 THR C C 13 174.635 0.2 . 1 . . . . . 41 T C . 28092 1 446 . 1 . 1 41 41 THR CA C 13 59.077 0.2 . 1 . . . . . 41 T CA . 28092 1 447 . 1 . 1 41 41 THR CB C 13 71.995 0.2 . 1 . . . . . 41 T CB . 28092 1 448 . 1 . 1 41 41 THR CG2 C 13 21.736 0.2 . 1 . . . . . 41 T CG2 . 28092 1 449 . 1 . 1 41 41 THR N N 15 108.883 0.2 . 1 . . . . . 41 T N . 28092 1 450 . 1 . 1 42 42 THR H H 1 9.364 0.01 . 1 . . . . . 42 T H . 28092 1 451 . 1 . 1 42 42 THR HA H 1 4.150 0.01 . 1 . . . . . 42 T HA . 28092 1 452 . 1 . 1 42 42 THR HB H 1 4.299 0.01 . 1 . . . . . 42 T HB . 28092 1 453 . 1 . 1 42 42 THR HG21 H 1 1.375 0.01 . 1 . . . . . 42 T QG2 . 28092 1 454 . 1 . 1 42 42 THR HG22 H 1 1.375 0.01 . 1 . . . . . 42 T QG2 . 28092 1 455 . 1 . 1 42 42 THR HG23 H 1 1.375 0.01 . 1 . . . . . 42 T QG2 . 28092 1 456 . 1 . 1 42 42 THR CA C 13 69.044 0.2 . 1 . . . . . 42 T CA . 28092 1 457 . 1 . 1 42 42 THR CB C 13 66.846 0.2 . 1 . . . . . 42 T CB . 28092 1 458 . 1 . 1 42 42 THR CG2 C 13 23.500 0.2 . 1 . . . . . 42 T CG2 . 28092 1 459 . 1 . 1 42 42 THR N N 15 119.043 0.2 . 1 . . . . . 42 T N . 28092 1 460 . 1 . 1 43 43 PRO HA H 1 4.308 0.01 . 1 . . . . . 43 P HA . 28092 1 461 . 1 . 1 43 43 PRO HB2 H 1 2.354 0.01 . 2 . . . . . 43 P HB2 . 28092 1 462 . 1 . 1 43 43 PRO HB3 H 1 1.818 0.01 . 2 . . . . . 43 P HB3 . 28092 1 463 . 1 . 1 43 43 PRO HG2 H 1 2.101 0.01 . 2 . . . . . 43 P HG2 . 28092 1 464 . 1 . 1 43 43 PRO HG3 H 1 1.989 0.01 . 2 . . . . . 43 P HG3 . 28092 1 465 . 1 . 1 43 43 PRO HD2 H 1 3.897 0.01 . 2 . . . . . 43 P HD2 . 28092 1 466 . 1 . 1 43 43 PRO HD3 H 1 3.751 0.01 . 2 . . . . . 43 P HD3 . 28092 1 467 . 1 . 1 43 43 PRO C C 13 179.702 0.2 . 1 . . . . . 43 P C . 28092 1 468 . 1 . 1 43 43 PRO CA C 13 65.977 0.2 . 1 . . . . . 43 P CA . 28092 1 469 . 1 . 1 43 43 PRO CB C 13 30.895 0.2 . 1 . . . . . 43 P CB . 28092 1 470 . 1 . 1 43 43 PRO CG C 13 28.336 0.2 . 1 . . . . . 43 P CG . 28092 1 471 . 1 . 1 43 43 PRO CD C 13 49.657 0.2 . 1 . . . . . 43 P CD . 28092 1 472 . 1 . 1 44 44 ASP H H 1 7.224 0.01 . 1 . . . . . 44 D H . 28092 1 473 . 1 . 1 44 44 ASP HA H 1 4.505 0.01 . 1 . . . . . 44 D HA . 28092 1 474 . 1 . 1 44 44 ASP HB2 H 1 2.782 0.01 . 2 . . . . . 44 D HB2 . 28092 1 475 . 1 . 1 44 44 ASP HB3 H 1 2.514 0.01 . 2 . . . . . 44 D HB3 . 28092 1 476 . 1 . 1 44 44 ASP C C 13 178.138 0.2 . 1 . . . . . 44 D C . 28092 1 477 . 1 . 1 44 44 ASP CA C 13 57.418 0.2 . 1 . . . . . 44 D CA . 28092 1 478 . 1 . 1 44 44 ASP CB C 13 40.149 0.2 . 1 . . . . . 44 D CB . 28092 1 479 . 1 . 1 44 44 ASP N N 15 116.883 0.2 . 1 . . . . . 44 D N . 28092 1 480 . 1 . 1 45 45 ARG H H 1 8.505 0.01 . 1 . . . . . 45 R H . 28092 1 481 . 1 . 1 45 45 ARG HA H 1 3.908 0.01 . 1 . . . . . 45 R HA . 28092 1 482 . 1 . 1 45 45 ARG HB2 H 1 1.945 0.01 . 2 . . . . . 45 R HB2 . 28092 1 483 . 1 . 1 45 45 ARG HB3 H 1 1.616 0.01 . 2 . . . . . 45 R HB3 . 28092 1 484 . 1 . 1 45 45 ARG HD2 H 1 3.221 0.01 . 2 . . . . . 45 R HD2 . 28092 1 485 . 1 . 1 45 45 ARG HD3 H 1 3.069 0.01 . 2 . . . . . 45 R HD3 . 28092 1 486 . 1 . 1 45 45 ARG HE H 1 7.429 0.01 . 1 . . . . . 45 R HE . 28092 1 487 . 1 . 1 45 45 ARG HH11 H 1 6.935 0.01 . 2 . . . . . 45 R HH11 . 28092 1 488 . 1 . 1 45 45 ARG HH21 H 1 6.935 0.01 . 2 . . . . . 45 R HH21 . 28092 1 489 . 1 . 1 45 45 ARG C C 13 178.140 0.2 . 1 . . . . . 45 R C . 28092 1 490 . 1 . 1 45 45 ARG CA C 13 60.471 0.2 . 1 . . . . . 45 R CA . 28092 1 491 . 1 . 1 45 45 ARG CB C 13 31.276 0.2 . 1 . . . . . 45 R CB . 28092 1 492 . 1 . 1 45 45 ARG CD C 13 44.305 0.2 . 1 . . . . . 45 R CD . 28092 1 493 . 1 . 1 45 45 ARG CZ C 13 159.392 0.2 . 1 . . . . . 45 R CZ . 28092 1 494 . 1 . 1 45 45 ARG N N 15 121.365 0.2 . 1 . . . . . 45 R N . 28092 1 495 . 1 . 1 45 45 ARG NE N 15 83.781 0.2 . 1 . . . . . 45 R NE . 28092 1 496 . 1 . 1 45 45 ARG NH1 N 15 70.770 0.2 . 1 . . . . . 45 R NH1 . 28092 1 497 . 1 . 1 46 46 GLN H H 1 8.470 0.01 . 1 . . . . . 46 Q H . 28092 1 498 . 1 . 1 46 46 GLN HA H 1 3.635 0.01 . 1 . . . . . 46 Q HA . 28092 1 499 . 1 . 1 46 46 GLN HB2 H 1 1.861 0.01 . 2 . . . . . 46 Q QB . 28092 1 500 . 1 . 1 46 46 GLN HB3 H 1 1.861 0.01 . 2 . . . . . 46 Q QB . 28092 1 501 . 1 . 1 46 46 GLN HG2 H 1 2.698 0.01 . 2 . . . . . 46 Q HG2 . 28092 1 502 . 1 . 1 46 46 GLN HE21 H 1 7.665 0.01 . 2 . . . . . 46 Q HE21 . 28092 1 503 . 1 . 1 46 46 GLN HE22 H 1 6.574 0.01 . 2 . . . . . 46 Q HE22 . 28092 1 504 . 1 . 1 46 46 GLN C C 13 178.823 0.2 . 1 . . . . . 46 Q C . 28092 1 505 . 1 . 1 46 46 GLN CA C 13 60.543 0.2 . 1 . . . . . 46 Q CA . 28092 1 506 . 1 . 1 46 46 GLN CB C 13 26.740 0.2 . 1 . . . . . 46 Q CB . 28092 1 507 . 1 . 1 46 46 GLN CG C 13 33.929 0.2 . 1 . . . . . 46 Q CG . 28092 1 508 . 1 . 1 46 46 GLN CD C 13 180.296 0.2 . 1 . . . . . 46 Q CD . 28092 1 509 . 1 . 1 46 46 GLN N N 15 118.259 0.2 . 1 . . . . . 46 Q N . 28092 1 510 . 1 . 1 46 46 GLN NE2 N 15 111.029 0.2 . 1 . . . . . 46 Q NE2 . 28092 1 511 . 1 . 1 47 47 THR H H 1 8.429 0.01 . 1 . . . . . 47 T H . 28092 1 512 . 1 . 1 47 47 THR HA H 1 3.952 0.01 . 1 . . . . . 47 T HA . 28092 1 513 . 1 . 1 47 47 THR HB H 1 4.238 0.01 . 1 . . . . . 47 T HB . 28092 1 514 . 1 . 1 47 47 THR HG21 H 1 1.199 0.01 . 1 . . . . . 47 T QG2 . 28092 1 515 . 1 . 1 47 47 THR HG22 H 1 1.199 0.01 . 1 . . . . . 47 T QG2 . 28092 1 516 . 1 . 1 47 47 THR HG23 H 1 1.199 0.01 . 1 . . . . . 47 T QG2 . 28092 1 517 . 1 . 1 47 47 THR C C 13 176.274 0.2 . 1 . . . . . 47 T C . 28092 1 518 . 1 . 1 47 47 THR CA C 13 66.927 0.2 . 1 . . . . . 47 T CA . 28092 1 519 . 1 . 1 47 47 THR CB C 13 68.477 0.2 . 1 . . . . . 47 T CB . 28092 1 520 . 1 . 1 47 47 THR CG2 C 13 22.298 0.2 . 1 . . . . . 47 T CG2 . 28092 1 521 . 1 . 1 47 47 THR N N 15 117.631 0.2 . 1 . . . . . 47 T N . 28092 1 522 . 1 . 1 48 48 ALA H H 1 8.622 0.01 . 1 . . . . . 48 A H . 28092 1 523 . 1 . 1 48 48 ALA HA H 1 3.671 0.01 . 1 . . . . . 48 A HA . 28092 1 524 . 1 . 1 48 48 ALA HB1 H 1 1.435 0.01 . 1 . . . . . 48 A HB . 28092 1 525 . 1 . 1 48 48 ALA HB2 H 1 1.435 0.01 . 1 . . . . . 48 A HB . 28092 1 526 . 1 . 1 48 48 ALA HB3 H 1 1.435 0.01 . 1 . . . . . 48 A HB . 28092 1 527 . 1 . 1 48 48 ALA C C 13 177.695 0.2 . 1 . . . . . 48 A C . 28092 1 528 . 1 . 1 48 48 ALA CA C 13 56.541 0.2 . 1 . . . . . 48 A CA . 28092 1 529 . 1 . 1 48 48 ALA CB C 13 17.717 0.2 . 1 . . . . . 48 A CB . 28092 1 530 . 1 . 1 48 48 ALA N N 15 124.578 0.2 . 1 . . . . . 48 A N . 28092 1 531 . 1 . 1 49 49 CYS H H 1 7.985 0.01 . 1 . . . . . 49 C H . 28092 1 532 . 1 . 1 49 49 CYS HA H 1 3.601 0.01 . 1 . . . . . 49 C HA . 28092 1 533 . 1 . 1 49 49 CYS HB2 H 1 3.154 0.01 . 2 . . . . . 49 C HB2 . 28092 1 534 . 1 . 1 49 49 CYS HB3 H 1 1.647 0.01 . 2 . . . . . 49 C HB3 . 28092 1 535 . 1 . 1 49 49 CYS C C 13 176.360 0.2 . 1 . . . . . 49 C C . 28092 1 536 . 1 . 1 49 49 CYS CA C 13 60.269 0.2 . 1 . . . . . 49 C CA . 28092 1 537 . 1 . 1 49 49 CYS CB C 13 33.975 0.2 . 1 . . . . . 49 C CB . 28092 1 538 . 1 . 1 49 49 CYS N N 15 116.446 0.2 . 1 . . . . . 49 C N . 28092 1 539 . 1 . 1 50 50 ASN H H 1 8.351 0.01 . 1 . . . . . 50 N H . 28092 1 540 . 1 . 1 50 50 ASN HA H 1 4.448 0.01 . 1 . . . . . 50 N HA . 28092 1 541 . 1 . 1 50 50 ASN HB2 H 1 2.883 0.01 . 2 . . . . . 50 N HB2 . 28092 1 542 . 1 . 1 50 50 ASN HB3 H 1 2.700 0.01 . 2 . . . . . 50 N HB3 . 28092 1 543 . 1 . 1 50 50 ASN HD21 H 1 7.397 0.01 . 2 . . . . . 50 N HD21 . 28092 1 544 . 1 . 1 50 50 ASN HD22 H 1 7.232 0.01 . 2 . . . . . 50 N HD22 . 28092 1 545 . 1 . 1 50 50 ASN C C 13 178.707 0.2 . 1 . . . . . 50 N C . 28092 1 546 . 1 . 1 50 50 ASN CA C 13 56.837 0.2 . 1 . . . . . 50 N CA . 28092 1 547 . 1 . 1 50 50 ASN CB C 13 39.170 0.2 . 1 . . . . . 50 N CB . 28092 1 548 . 1 . 1 50 50 ASN CG C 13 175.998 0.2 . 1 . . . . . 50 N CG . 28092 1 549 . 1 . 1 50 50 ASN N N 15 120.744 0.2 . 1 . . . . . 50 N N . 28092 1 550 . 1 . 1 50 50 ASN ND2 N 15 116.754 0.2 . 1 . . . . . 50 N ND2 . 28092 1 551 . 1 . 1 51 51 CYS H H 1 9.106 0.01 . 1 . . . . . 51 C H . 28092 1 552 . 1 . 1 51 51 CYS HA H 1 4.392 0.01 . 1 . . . . . 51 C HA . 28092 1 553 . 1 . 1 51 51 CYS HB2 H 1 3.309 0.01 . 2 . . . . . 51 C HB2 . 28092 1 554 . 1 . 1 51 51 CYS HB3 H 1 3.073 0.01 . 2 . . . . . 51 C HB3 . 28092 1 555 . 1 . 1 51 51 CYS C C 13 177.813 0.2 . 1 . . . . . 51 C C . 28092 1 556 . 1 . 1 51 51 CYS CA C 13 57.383 0.2 . 1 . . . . . 51 C CA . 28092 1 557 . 1 . 1 51 51 CYS CB C 13 36.042 0.2 . 1 . . . . . 51 C CB . 28092 1 558 . 1 . 1 51 51 CYS N N 15 121.033 0.2 . 1 . . . . . 51 C N . 28092 1 559 . 1 . 1 52 52 LEU H H 1 8.280 0.01 . 1 . . . . . 52 L H . 28092 1 560 . 1 . 1 52 52 LEU HA H 1 3.871 0.01 . 1 . . . . . 52 L HA . 28092 1 561 . 1 . 1 52 52 LEU HB2 H 1 2.128 0.01 . 2 . . . . . 52 L HB2 . 28092 1 562 . 1 . 1 52 52 LEU HB3 H 1 1.309 0.01 . 2 . . . . . 52 L HB3 . 28092 1 563 . 1 . 1 52 52 LEU HD11 H 1 1.061 0.01 . 2 . . . . . 52 L QD1 . 28092 1 564 . 1 . 1 52 52 LEU HD12 H 1 1.061 0.01 . 2 . . . . . 52 L QD1 . 28092 1 565 . 1 . 1 52 52 LEU HD13 H 1 1.061 0.01 . 2 . . . . . 52 L QD1 . 28092 1 566 . 1 . 1 52 52 LEU HD21 H 1 0.770 0.01 . 2 . . . . . 52 L QD2 . 28092 1 567 . 1 . 1 52 52 LEU HD22 H 1 0.770 0.01 . 2 . . . . . 52 L QD2 . 28092 1 568 . 1 . 1 52 52 LEU HD23 H 1 0.770 0.01 . 2 . . . . . 52 L QD2 . 28092 1 569 . 1 . 1 52 52 LEU C C 13 177.961 0.2 . 1 . . . . . 52 L C . 28092 1 570 . 1 . 1 52 52 LEU CA C 13 58.212 0.2 . 1 . . . . . 52 L CA . 28092 1 571 . 1 . 1 52 52 LEU CB C 13 41.521 0.2 . 1 . . . . . 52 L CB . 28092 1 572 . 1 . 1 52 52 LEU CD1 C 13 26.527 0.2 . 2 . . . . . 52 L CD1 . 28092 1 573 . 1 . 1 52 52 LEU CD2 C 13 23.317 0.2 . 2 . . . . . 52 L CD2 . 28092 1 574 . 1 . 1 52 52 LEU N N 15 122.090 0.2 . 1 . . . . . 52 L N . 28092 1 575 . 1 . 1 53 53 LYS H H 1 8.247 0.01 . 1 . . . . . 53 K H . 28092 1 576 . 1 . 1 53 53 LYS HA H 1 3.942 0.01 . 1 . . . . . 53 K HA . 28092 1 577 . 1 . 1 53 53 LYS HB2 H 1 2.090 0.01 . 2 . . . . . 53 K HB2 . 28092 1 578 . 1 . 1 53 53 LYS HB3 H 1 2.006 0.01 . 2 . . . . . 53 K HB3 . 28092 1 579 . 1 . 1 53 53 LYS HG2 H 1 1.887 0.01 . 2 . . . . . 53 K HG2 . 28092 1 580 . 1 . 1 53 53 LYS HG3 H 1 1.432 0.01 . 2 . . . . . 53 K HG3 . 28092 1 581 . 1 . 1 53 53 LYS HD2 H 1 2.028 0.01 . 2 . . . . . 53 K QD . 28092 1 582 . 1 . 1 53 53 LYS HD3 H 1 2.028 0.01 . 2 . . . . . 53 K QD . 28092 1 583 . 1 . 1 53 53 LYS HE2 H 1 3.124 0.01 . 2 . . . . . 53 K QE . 28092 1 584 . 1 . 1 53 53 LYS HE3 H 1 3.124 0.01 . 2 . . . . . 53 K QE . 28092 1 585 . 1 . 1 53 53 LYS C C 13 178.893 0.2 . 1 . . . . . 53 K C . 28092 1 586 . 1 . 1 53 53 LYS CA C 13 61.237 0.2 . 1 . . . . . 53 K CA . 28092 1 587 . 1 . 1 53 53 LYS CB C 13 32.584 0.2 . 1 . . . . . 53 K CB . 28092 1 588 . 1 . 1 53 53 LYS CG C 13 25.651 0.2 . 1 . . . . . 53 K CG . 28092 1 589 . 1 . 1 53 53 LYS CD C 13 30.449 0.2 . 1 . . . . . 53 K CD . 28092 1 590 . 1 . 1 53 53 LYS CE C 13 42.348 0.2 . 1 . . . . . 53 K CE . 28092 1 591 . 1 . 1 53 53 LYS N N 15 120.223 0.2 . 1 . . . . . 53 K N . 28092 1 592 . 1 . 1 54 54 THR H H 1 8.263 0.01 . 1 . . . . . 54 T H . 28092 1 593 . 1 . 1 54 54 THR HA H 1 3.879 0.01 . 1 . . . . . 54 T HA . 28092 1 594 . 1 . 1 54 54 THR HB H 1 4.401 0.01 . 1 . . . . . 54 T HB . 28092 1 595 . 1 . 1 54 54 THR HG21 H 1 1.274 0.01 . 1 . . . . . 54 T QG2 . 28092 1 596 . 1 . 1 54 54 THR HG22 H 1 1.274 0.01 . 1 . . . . . 54 T QG2 . 28092 1 597 . 1 . 1 54 54 THR HG23 H 1 1.274 0.01 . 1 . . . . . 54 T QG2 . 28092 1 598 . 1 . 1 54 54 THR C C 13 177.169 0.2 . 1 . . . . . 54 T C . 28092 1 599 . 1 . 1 54 54 THR CA C 13 66.963 0.2 . 1 . . . . . 54 T CA . 28092 1 600 . 1 . 1 54 54 THR CB C 13 68.612 0.2 . 1 . . . . . 54 T CB . 28092 1 601 . 1 . 1 54 54 THR CG2 C 13 22.072 0.2 . 1 . . . . . 54 T CG2 . 28092 1 602 . 1 . 1 54 54 THR N N 15 115.295 0.2 . 1 . . . . . 54 T N . 28092 1 603 . 1 . 1 55 55 THR H H 1 8.151 0.01 . 1 . . . . . 55 T H . 28092 1 604 . 1 . 1 55 55 THR HA H 1 3.878 0.01 . 1 . . . . . 55 T HA . 28092 1 605 . 1 . 1 55 55 THR HB H 1 4.190 0.01 . 1 . . . . . 55 T HB . 28092 1 606 . 1 . 1 55 55 THR HG21 H 1 0.988 0.01 . 1 . . . . . 55 T QG2 . 28092 1 607 . 1 . 1 55 55 THR HG22 H 1 0.988 0.01 . 1 . . . . . 55 T QG2 . 28092 1 608 . 1 . 1 55 55 THR HG23 H 1 0.988 0.01 . 1 . . . . . 55 T QG2 . 28092 1 609 . 1 . 1 55 55 THR C C 13 176.838 0.2 . 1 . . . . . 55 T C . 28092 1 610 . 1 . 1 55 55 THR CA C 13 67.346 0.2 . 1 . . . . . 55 T CA . 28092 1 611 . 1 . 1 55 55 THR CB C 13 68.596 0.2 . 1 . . . . . 55 T CB . 28092 1 612 . 1 . 1 55 55 THR CG2 C 13 21.207 0.2 . 1 . . . . . 55 T CG2 . 28092 1 613 . 1 . 1 55 55 THR N N 15 120.968 0.2 . 1 . . . . . 55 T N . 28092 1 614 . 1 . 1 56 56 PHE H H 1 8.512 0.01 . 1 . . . . . 56 F H . 28092 1 615 . 1 . 1 56 56 PHE HA H 1 4.330 0.01 . 1 . . . . . 56 F HA . 28092 1 616 . 1 . 1 56 56 PHE HB2 H 1 3.189 0.01 . 2 . . . . . 56 F HB2 . 28092 1 617 . 1 . 1 56 56 PHE HB3 H 1 3.041 0.01 . 2 . . . . . 56 F HB3 . 28092 1 618 . 1 . 1 56 56 PHE HD1 H 1 7.210 0.01 . 3 . . . . . 56 F HD# . 28092 1 619 . 1 . 1 56 56 PHE HD2 H 1 7.210 0.01 . 3 . . . . . 56 F HD# . 28092 1 620 . 1 . 1 56 56 PHE HE1 H 1 7.034 0.01 . 3 . . . . . 56 F HE# . 28092 1 621 . 1 . 1 56 56 PHE HE2 H 1 7.034 0.01 . 3 . . . . . 56 F HE# . 28092 1 622 . 1 . 1 56 56 PHE HZ H 1 6.979 0.01 . 1 . . . . . 56 F HZ . 28092 1 623 . 1 . 1 56 56 PHE C C 13 177.724 0.2 . 1 . . . . . 56 F C . 28092 1 624 . 1 . 1 56 56 PHE CA C 13 60.827 0.2 . 1 . . . . . 56 F CA . 28092 1 625 . 1 . 1 56 56 PHE CB C 13 38.316 0.2 . 1 . . . . . 56 F CB . 28092 1 626 . 1 . 1 56 56 PHE CD1 C 13 130.964 0.2 . 3 . . . . . 56 F CD1 . 28092 1 627 . 1 . 1 56 56 PHE CE1 C 13 130.725 0.2 . 3 . . . . . 56 F CE1 . 28092 1 628 . 1 . 1 56 56 PHE CZ C 13 128.875 0.2 . 1 . . . . . 56 F CZ . 28092 1 629 . 1 . 1 56 56 PHE N N 15 122.051 0.2 . 1 . . . . . 56 F N . 28092 1 630 . 1 . 1 57 57 LYS H H 1 8.408 0.01 . 1 . . . . . 57 K H . 28092 1 631 . 1 . 1 57 57 LYS HA H 1 4.045 0.01 . 1 . . . . . 57 K HA . 28092 1 632 . 1 . 1 57 57 LYS HB2 H 1 1.985 0.01 . 2 . . . . . 57 K QB . 28092 1 633 . 1 . 1 57 57 LYS HB3 H 1 1.985 0.01 . 2 . . . . . 57 K QB . 28092 1 634 . 1 . 1 57 57 LYS HG2 H 1 1.663 0.01 . 2 . . . . . 57 K HG2 . 28092 1 635 . 1 . 1 57 57 LYS HG3 H 1 1.559 0.01 . 2 . . . . . 57 K HG3 . 28092 1 636 . 1 . 1 57 57 LYS HE2 H 1 2.976 0.01 . 2 . . . . . 57 K QE . 28092 1 637 . 1 . 1 57 57 LYS HE3 H 1 2.976 0.01 . 2 . . . . . 57 K QE . 28092 1 638 . 1 . 1 57 57 LYS C C 13 177.822 0.2 . 1 . . . . . 57 K C . 28092 1 639 . 1 . 1 57 57 LYS CA C 13 58.827 0.2 . 1 . . . . . 57 K CA . 28092 1 640 . 1 . 1 57 57 LYS CB C 13 32.642 0.2 . 1 . . . . . 57 K CB . 28092 1 641 . 1 . 1 57 57 LYS CG C 13 25.657 0.2 . 1 . . . . . 57 K CG . 28092 1 642 . 1 . 1 57 57 LYS CE C 13 42.181 0.2 . 1 . . . . . 57 K CE . 28092 1 643 . 1 . 1 57 57 LYS N N 15 118.838 0.2 . 1 . . . . . 57 K N . 28092 1 644 . 1 . 1 58 58 SER H H 1 7.714 0.01 . 1 . . . . . 58 S H . 28092 1 645 . 1 . 1 58 58 SER HA H 1 4.379 0.01 . 1 . . . . . 58 S HA . 28092 1 646 . 1 . 1 58 58 SER HB2 H 1 3.983 0.01 . 2 . . . . . 58 S QB . 28092 1 647 . 1 . 1 58 58 SER HB3 H 1 3.983 0.01 . 2 . . . . . 58 S QB . 28092 1 648 . 1 . 1 58 58 SER C C 13 173.447 0.2 . 1 . . . . . 58 S C . 28092 1 649 . 1 . 1 58 58 SER CA C 13 59.579 0.2 . 1 . . . . . 58 S CA . 28092 1 650 . 1 . 1 58 58 SER CB C 13 64.080 0.2 . 1 . . . . . 58 S CB . 28092 1 651 . 1 . 1 58 58 SER N N 15 111.506 0.2 . 1 . . . . . 58 S N . 28092 1 652 . 1 . 1 59 59 ASN H H 1 7.299 0.01 . 1 . . . . . 59 N H . 28092 1 653 . 1 . 1 59 59 ASN HA H 1 4.744 0.01 . 1 . . . . . 59 N HA . 28092 1 654 . 1 . 1 59 59 ASN HB2 H 1 2.075 0.01 . 2 . . . . . 59 N HB2 . 28092 1 655 . 1 . 1 59 59 ASN HB3 H 1 1.908 0.01 . 2 . . . . . 59 N HB3 . 28092 1 656 . 1 . 1 59 59 ASN HD21 H 1 7.449 0.01 . 2 . . . . . 59 N HD21 . 28092 1 657 . 1 . 1 59 59 ASN HD22 H 1 7.068 0.01 . 2 . . . . . 59 N HD22 . 28092 1 658 . 1 . 1 59 59 ASN C C 13 174.494 0.2 . 1 . . . . . 59 N C . 28092 1 659 . 1 . 1 59 59 ASN CA C 13 52.471 0.2 . 1 . . . . . 59 N CA . 28092 1 660 . 1 . 1 59 59 ASN CB C 13 39.191 0.2 . 1 . . . . . 59 N CB . 28092 1 661 . 1 . 1 59 59 ASN CG C 13 177.733 0.2 . 1 . . . . . 59 N CG . 28092 1 662 . 1 . 1 59 59 ASN N N 15 120.252 0.2 . 1 . . . . . 59 N N . 28092 1 663 . 1 . 1 59 59 ASN ND2 N 15 113.412 0.2 . 1 . . . . . 59 N ND2 . 28092 1 664 . 1 . 1 60 60 LYS H H 1 8.716 0.01 . 1 . . . . . 60 K H . 28092 1 665 . 1 . 1 60 60 LYS HA H 1 4.268 0.01 . 1 . . . . . 60 K HA . 28092 1 666 . 1 . 1 60 60 LYS HB2 H 1 1.918 0.01 . 2 . . . . . 60 K HB2 . 28092 1 667 . 1 . 1 60 60 LYS HB3 H 1 1.835 0.01 . 2 . . . . . 60 K HB3 . 28092 1 668 . 1 . 1 60 60 LYS HG2 H 1 1.481 0.01 . 2 . . . . . 60 K QG . 28092 1 669 . 1 . 1 60 60 LYS HG3 H 1 1.481 0.01 . 2 . . . . . 60 K QG . 28092 1 670 . 1 . 1 60 60 LYS HE2 H 1 3.030 0.01 . 2 . . . . . 60 K QE . 28092 1 671 . 1 . 1 60 60 LYS HE3 H 1 3.030 0.01 . 2 . . . . . 60 K QE . 28092 1 672 . 1 . 1 60 60 LYS C C 13 176.654 0.2 . 1 . . . . . 60 K C . 28092 1 673 . 1 . 1 60 60 LYS CA C 13 57.799 0.2 . 1 . . . . . 60 K CA . 28092 1 674 . 1 . 1 60 60 LYS CB C 13 31.806 0.2 . 1 . . . . . 60 K CB . 28092 1 675 . 1 . 1 60 60 LYS CG C 13 24.521 0.2 . 1 . . . . . 60 K CG . 28092 1 676 . 1 . 1 60 60 LYS N N 15 123.399 0.2 . 1 . . . . . 60 K N . 28092 1 677 . 1 . 1 61 61 ASP H H 1 8.588 0.01 . 1 . . . . . 61 D H . 28092 1 678 . 1 . 1 61 61 ASP HA H 1 4.563 0.01 . 1 . . . . . 61 D HA . 28092 1 679 . 1 . 1 61 61 ASP HB2 H 1 2.648 0.01 . 2 . . . . . 61 D HB2 . 28092 1 680 . 1 . 1 61 61 ASP HB3 H 1 2.546 0.01 . 2 . . . . . 61 D HB3 . 28092 1 681 . 1 . 1 61 61 ASP C C 13 176.719 0.2 . 1 . . . . . 61 D C . 28092 1 682 . 1 . 1 61 61 ASP CA C 13 54.810 0.2 . 1 . . . . . 61 D CA . 28092 1 683 . 1 . 1 61 61 ASP CB C 13 40.360 0.2 . 1 . . . . . 61 D CB . 28092 1 684 . 1 . 1 61 61 ASP N N 15 117.059 0.2 . 1 . . . . . 61 D N . 28092 1 685 . 1 . 1 62 62 PHE H H 1 7.419 0.01 . 1 . . . . . 62 F H . 28092 1 686 . 1 . 1 62 62 PHE HA H 1 4.538 0.01 . 1 . . . . . 62 F HA . 28092 1 687 . 1 . 1 62 62 PHE HB2 H 1 3.027 0.01 . 2 . . . . . 62 F HB2 . 28092 1 688 . 1 . 1 62 62 PHE HB3 H 1 2.706 0.01 . 2 . . . . . 62 F HB3 . 28092 1 689 . 1 . 1 62 62 PHE HD1 H 1 6.823 0.01 . 3 . . . . . 62 F HD# . 28092 1 690 . 1 . 1 62 62 PHE HD2 H 1 6.823 0.01 . 3 . . . . . 62 F HD# . 28092 1 691 . 1 . 1 62 62 PHE HE1 H 1 7.068 0.01 . 3 . . . . . 62 F HE# . 28092 1 692 . 1 . 1 62 62 PHE HE2 H 1 7.068 0.01 . 3 . . . . . 62 F HE# . 28092 1 693 . 1 . 1 62 62 PHE HZ H 1 7.081 0.01 . 1 . . . . . 62 F HZ . 28092 1 694 . 1 . 1 62 62 PHE C C 13 175.760 0.2 . 1 . . . . . 62 F C . 28092 1 695 . 1 . 1 62 62 PHE CA C 13 55.737 0.2 . 1 . . . . . 62 F CA . 28092 1 696 . 1 . 1 62 62 PHE CB C 13 37.950 0.2 . 1 . . . . . 62 F CB . 28092 1 697 . 1 . 1 62 62 PHE CD1 C 13 130.444 0.2 . 3 . . . . . 62 F CD1 . 28092 1 698 . 1 . 1 62 62 PHE CE1 C 13 130.841 0.2 . 3 . . . . . 62 F CE1 . 28092 1 699 . 1 . 1 62 62 PHE CZ C 13 129.824 0.2 . 1 . . . . . 62 F CZ . 28092 1 700 . 1 . 1 62 62 PHE N N 15 119.054 0.2 . 1 . . . . . 62 F N . 28092 1 701 . 1 . 1 63 63 LYS H H 1 8.534 0.01 . 1 . . . . . 63 K H . 28092 1 702 . 1 . 1 63 63 LYS HA H 1 4.690 0.01 . 1 . . . . . 63 K HA . 28092 1 703 . 1 . 1 63 63 LYS HB2 H 1 2.158 0.01 . 2 . . . . . 63 K HB2 . 28092 1 704 . 1 . 1 63 63 LYS HG2 H 1 1.653 0.01 . 2 . . . . . 63 K HG2 . 28092 1 705 . 1 . 1 63 63 LYS HG3 H 1 1.466 0.01 . 2 . . . . . 63 K HG3 . 28092 1 706 . 1 . 1 63 63 LYS HE2 H 1 3.071 0.01 . 2 . . . . . 63 K QE . 28092 1 707 . 1 . 1 63 63 LYS HE3 H 1 3.071 0.01 . 2 . . . . . 63 K QE . 28092 1 708 . 1 . 1 63 63 LYS C C 13 177.938 0.2 . 1 . . . . . 63 K C . 28092 1 709 . 1 . 1 63 63 LYS CA C 13 54.150 0.2 . 1 . . . . . 63 K CA . 28092 1 710 . 1 . 1 63 63 LYS CB C 13 31.851 0.2 . 1 . . . . . 63 K CB . 28092 1 711 . 1 . 1 63 63 LYS CG C 13 24.177 0.2 . 1 . . . . . 63 K CG . 28092 1 712 . 1 . 1 63 63 LYS CE C 13 42.541 0.2 . 1 . . . . . 63 K CE . 28092 1 713 . 1 . 1 63 63 LYS N N 15 121.955 0.2 . 1 . . . . . 63 K N . 28092 1 714 . 1 . 1 64 64 SER H H 1 9.220 0.01 . 1 . . . . . 64 S H . 28092 1 715 . 1 . 1 64 64 SER HA H 1 4.057 0.01 . 1 . . . . . 64 S HA . 28092 1 716 . 1 . 1 64 64 SER HB2 H 1 3.966 0.01 . 2 . . . . . 64 S QB . 28092 1 717 . 1 . 1 64 64 SER HB3 H 1 3.966 0.01 . 2 . . . . . 64 S QB . 28092 1 718 . 1 . 1 64 64 SER C C 13 177.119 0.2 . 1 . . . . . 64 S C . 28092 1 719 . 1 . 1 64 64 SER CA C 13 61.880 0.2 . 1 . . . . . 64 S CA . 28092 1 720 . 1 . 1 64 64 SER CB C 13 62.616 0.2 . 1 . . . . . 64 S CB . 28092 1 721 . 1 . 1 64 64 SER N N 15 121.978 0.2 . 1 . . . . . 64 S N . 28092 1 722 . 1 . 1 65 65 ASP H H 1 9.145 0.01 . 1 . . . . . 65 D H . 28092 1 723 . 1 . 1 65 65 ASP HA H 1 4.383 0.01 . 1 . . . . . 65 D HA . 28092 1 724 . 1 . 1 65 65 ASP HB2 H 1 2.465 0.01 . 2 . . . . . 65 D HB2 . 28092 1 725 . 1 . 1 65 65 ASP HB3 H 1 2.252 0.01 . 2 . . . . . 65 D HB3 . 28092 1 726 . 1 . 1 65 65 ASP C C 13 178.995 0.2 . 1 . . . . . 65 D C . 28092 1 727 . 1 . 1 65 65 ASP CA C 13 56.889 0.2 . 1 . . . . . 65 D CA . 28092 1 728 . 1 . 1 65 65 ASP CB C 13 39.423 0.2 . 1 . . . . . 65 D CB . 28092 1 729 . 1 . 1 65 65 ASP N N 15 120.536 0.2 . 1 . . . . . 65 D N . 28092 1 730 . 1 . 1 66 66 PHE H H 1 6.779 0.01 . 1 . . . . . 66 F H . 28092 1 731 . 1 . 1 66 66 PHE HA H 1 4.861 0.01 . 1 . . . . . 66 F HA . 28092 1 732 . 1 . 1 66 66 PHE HB2 H 1 2.948 0.01 . 2 . . . . . 66 F HB2 . 28092 1 733 . 1 . 1 66 66 PHE HB3 H 1 2.861 0.01 . 2 . . . . . 66 F HB3 . 28092 1 734 . 1 . 1 66 66 PHE HD1 H 1 7.050 0.01 . 3 . . . . . 66 F HD# . 28092 1 735 . 1 . 1 66 66 PHE HD2 H 1 7.050 0.01 . 3 . . . . . 66 F HD# . 28092 1 736 . 1 . 1 66 66 PHE HE1 H 1 7.147 0.01 . 3 . . . . . 66 F HE# . 28092 1 737 . 1 . 1 66 66 PHE HE2 H 1 7.147 0.01 . 3 . . . . . 66 F HE# . 28092 1 738 . 1 . 1 66 66 PHE HZ H 1 7.158 0.01 . 1 . . . . . 66 F HZ . 28092 1 739 . 1 . 1 66 66 PHE C C 13 179.260 0.2 . 1 . . . . . 66 F C . 28092 1 740 . 1 . 1 66 66 PHE CA C 13 56.882 0.2 . 1 . . . . . 66 F CA . 28092 1 741 . 1 . 1 66 66 PHE CB C 13 36.482 0.2 . 1 . . . . . 66 F CB . 28092 1 742 . 1 . 1 66 66 PHE CD1 C 13 130.870 0.2 . 3 . . . . . 66 F CD1 . 28092 1 743 . 1 . 1 66 66 PHE CE1 C 13 130.989 0.2 . 3 . . . . . 66 F CE1 . 28092 1 744 . 1 . 1 66 66 PHE CZ C 13 129.244 0.2 . 1 . . . . . 66 F CZ . 28092 1 745 . 1 . 1 66 66 PHE N N 15 118.678 0.2 . 1 . . . . . 66 F N . 28092 1 746 . 1 . 1 67 67 ALA H H 1 8.072 0.01 . 1 . . . . . 67 A H . 28092 1 747 . 1 . 1 67 67 ALA HA H 1 4.023 0.01 . 1 . . . . . 67 A HA . 28092 1 748 . 1 . 1 67 67 ALA HB1 H 1 1.407 0.01 . 1 . . . . . 67 A HB . 28092 1 749 . 1 . 1 67 67 ALA HB2 H 1 1.407 0.01 . 1 . . . . . 67 A HB . 28092 1 750 . 1 . 1 67 67 ALA HB3 H 1 1.407 0.01 . 1 . . . . . 67 A HB . 28092 1 751 . 1 . 1 67 67 ALA C C 13 178.645 0.2 . 1 . . . . . 67 A C . 28092 1 752 . 1 . 1 67 67 ALA CA C 13 55.501 0.2 . 1 . . . . . 67 A CA . 28092 1 753 . 1 . 1 67 67 ALA CB C 13 18.980 0.2 . 1 . . . . . 67 A CB . 28092 1 754 . 1 . 1 67 67 ALA N N 15 123.092 0.2 . 1 . . . . . 67 A N . 28092 1 755 . 1 . 1 68 68 ALA H H 1 8.173 0.01 . 1 . . . . . 68 A H . 28092 1 756 . 1 . 1 68 68 ALA HA H 1 4.302 0.01 . 1 . . . . . 68 A HA . 28092 1 757 . 1 . 1 68 68 ALA HB1 H 1 1.571 0.01 . 1 . . . . . 68 A HB . 28092 1 758 . 1 . 1 68 68 ALA HB2 H 1 1.571 0.01 . 1 . . . . . 68 A HB . 28092 1 759 . 1 . 1 68 68 ALA HB3 H 1 1.571 0.01 . 1 . . . . . 68 A HB . 28092 1 760 . 1 . 1 68 68 ALA C C 13 180.122 0.2 . 1 . . . . . 68 A C . 28092 1 761 . 1 . 1 68 68 ALA CA C 13 54.694 0.2 . 1 . . . . . 68 A CA . 28092 1 762 . 1 . 1 68 68 ALA CB C 13 18.506 0.2 . 1 . . . . . 68 A CB . 28092 1 763 . 1 . 1 68 68 ALA N N 15 116.986 0.2 . 1 . . . . . 68 A N . 28092 1 764 . 1 . 1 69 69 SER H H 1 7.571 0.01 . 1 . . . . . 69 S H . 28092 1 765 . 1 . 1 69 69 SER HA H 1 4.605 0.01 . 1 . . . . . 69 S HA . 28092 1 766 . 1 . 1 69 69 SER HB2 H 1 4.200 0.01 . 2 . . . . . 69 S HB2 . 28092 1 767 . 1 . 1 69 69 SER HB3 H 1 4.061 0.01 . 2 . . . . . 69 S HB3 . 28092 1 768 . 1 . 1 69 69 SER C C 13 174.284 0.2 . 1 . . . . . 69 S C . 28092 1 769 . 1 . 1 69 69 SER CA C 13 58.490 0.2 . 1 . . . . . 69 S CA . 28092 1 770 . 1 . 1 69 69 SER CB C 13 64.506 0.2 . 1 . . . . . 69 S CB . 28092 1 771 . 1 . 1 69 69 SER N N 15 108.870 0.2 . 1 . . . . . 69 S N . 28092 1 772 . 1 . 1 70 70 LEU H H 1 7.462 0.01 . 1 . . . . . 70 L H . 28092 1 773 . 1 . 1 70 70 LEU HA H 1 4.214 0.01 . 1 . . . . . 70 L HA . 28092 1 774 . 1 . 1 70 70 LEU HB2 H 1 2.129 0.01 . 2 . . . . . 70 L HB2 . 28092 1 775 . 1 . 1 70 70 LEU HB3 H 1 2.032 0.01 . 2 . . . . . 70 L HB3 . 28092 1 776 . 1 . 1 70 70 LEU HD11 H 1 0.935 0.01 . 2 . . . . . 70 L QD1 . 28092 1 777 . 1 . 1 70 70 LEU HD12 H 1 0.935 0.01 . 2 . . . . . 70 L QD1 . 28092 1 778 . 1 . 1 70 70 LEU HD13 H 1 0.935 0.01 . 2 . . . . . 70 L QD1 . 28092 1 779 . 1 . 1 70 70 LEU HD21 H 1 0.879 0.01 . 2 . . . . . 70 L QD2 . 28092 1 780 . 1 . 1 70 70 LEU HD22 H 1 0.879 0.01 . 2 . . . . . 70 L QD2 . 28092 1 781 . 1 . 1 70 70 LEU HD23 H 1 0.879 0.01 . 2 . . . . . 70 L QD2 . 28092 1 782 . 1 . 1 70 70 LEU C C 13 173.888 0.2 . 1 . . . . . 70 L C . 28092 1 783 . 1 . 1 70 70 LEU CA C 13 59.828 0.2 . 1 . . . . . 70 L CA . 28092 1 784 . 1 . 1 70 70 LEU CB C 13 39.887 0.2 . 1 . . . . . 70 L CB . 28092 1 785 . 1 . 1 70 70 LEU CD1 C 13 24.995 0.2 . 2 . . . . . 70 L CD1 . 28092 1 786 . 1 . 1 70 70 LEU CD2 C 13 22.803 0.2 . 2 . . . . . 70 L CD2 . 28092 1 787 . 1 . 1 70 70 LEU N N 15 122.601 0.2 . 1 . . . . . 70 L N . 28092 1 788 . 1 . 1 71 71 PRO HA H 1 3.955 0.01 . 1 . . . . . 71 P HA . 28092 1 789 . 1 . 1 71 71 PRO HB2 H 1 2.355 0.01 . 2 . . . . . 71 P HB2 . 28092 1 790 . 1 . 1 71 71 PRO HB3 H 1 2.140 0.01 . 2 . . . . . 71 P HB3 . 28092 1 791 . 1 . 1 71 71 PRO HG2 H 1 2.476 0.01 . 2 . . . . . 71 P HG2 . 28092 1 792 . 1 . 1 71 71 PRO HG3 H 1 1.519 0.01 . 2 . . . . . 71 P HG3 . 28092 1 793 . 1 . 1 71 71 PRO HD2 H 1 3.839 0.01 . 2 . . . . . 71 P HD2 . 28092 1 794 . 1 . 1 71 71 PRO HD3 H 1 3.789 0.01 . 2 . . . . . 71 P HD3 . 28092 1 795 . 1 . 1 71 71 PRO C C 13 179.187 0.2 . 1 . . . . . 71 P C . 28092 1 796 . 1 . 1 71 71 PRO CA C 13 67.625 0.2 . 1 . . . . . 71 P CA . 28092 1 797 . 1 . 1 71 71 PRO CB C 13 31.240 0.2 . 1 . . . . . 71 P CB . 28092 1 798 . 1 . 1 71 71 PRO CG C 13 29.477 0.2 . 1 . . . . . 71 P CG . 28092 1 799 . 1 . 1 71 71 PRO CD C 13 49.691 0.2 . 1 . . . . . 71 P CD . 28092 1 800 . 1 . 1 72 72 SER H H 1 8.187 0.01 . 1 . . . . . 72 S H . 28092 1 801 . 1 . 1 72 72 SER HA H 1 4.231 0.01 . 1 . . . . . 72 S HA . 28092 1 802 . 1 . 1 72 72 SER HB2 H 1 3.982 0.01 . 2 . . . . . 72 S QB . 28092 1 803 . 1 . 1 72 72 SER HB3 H 1 3.982 0.01 . 2 . . . . . 72 S QB . 28092 1 804 . 1 . 1 72 72 SER C C 13 179.010 0.2 . 1 . . . . . 72 S C . 28092 1 805 . 1 . 1 72 72 SER CA C 13 61.550 0.2 . 1 . . . . . 72 S CA . 28092 1 806 . 1 . 1 72 72 SER CB C 13 62.421 0.2 . 1 . . . . . 72 S CB . 28092 1 807 . 1 . 1 72 72 SER N N 15 112.776 0.2 . 1 . . . . . 72 S N . 28092 1 808 . 1 . 1 73 73 LYS H H 1 8.495 0.01 . 1 . . . . . 73 K H . 28092 1 809 . 1 . 1 73 73 LYS HA H 1 4.110 0.01 . 1 . . . . . 73 K HA . 28092 1 810 . 1 . 1 73 73 LYS HB2 H 1 1.954 0.01 . 2 . . . . . 73 K HB2 . 28092 1 811 . 1 . 1 73 73 LYS HB3 H 1 1.779 0.01 . 2 . . . . . 73 K HB3 . 28092 1 812 . 1 . 1 73 73 LYS HG2 H 1 1.658 0.01 . 2 . . . . . 73 K HG2 . 28092 1 813 . 1 . 1 73 73 LYS HG3 H 1 1.522 0.01 . 2 . . . . . 73 K HG3 . 28092 1 814 . 1 . 1 73 73 LYS C C 13 179.103 0.2 . 1 . . . . . 73 K C . 28092 1 815 . 1 . 1 73 73 LYS CA C 13 59.216 0.2 . 1 . . . . . 73 K CA . 28092 1 816 . 1 . 1 73 73 LYS CB C 13 32.625 0.2 . 1 . . . . . 73 K CB . 28092 1 817 . 1 . 1 73 73 LYS CG C 13 26.211 0.2 . 1 . . . . . 73 K CG . 28092 1 818 . 1 . 1 73 73 LYS N N 15 123.321 0.2 . 1 . . . . . 73 K N . 28092 1 819 . 1 . 1 74 74 CYS H H 1 7.787 0.01 . 1 . . . . . 74 C H . 28092 1 820 . 1 . 1 74 74 CYS HA H 1 4.877 0.01 . 1 . . . . . 74 C HA . 28092 1 821 . 1 . 1 74 74 CYS HB2 H 1 3.065 0.01 . 2 . . . . . 74 C HB2 . 28092 1 822 . 1 . 1 74 74 CYS HB3 H 1 2.582 0.01 . 2 . . . . . 74 C HB3 . 28092 1 823 . 1 . 1 74 74 CYS C C 13 174.969 0.2 . 1 . . . . . 74 C C . 28092 1 824 . 1 . 1 74 74 CYS CA C 13 52.873 0.2 . 1 . . . . . 74 C CA . 28092 1 825 . 1 . 1 74 74 CYS CB C 13 36.103 0.2 . 1 . . . . . 74 C CB . 28092 1 826 . 1 . 1 74 74 CYS N N 15 114.101 0.2 . 1 . . . . . 74 C N . 28092 1 827 . 1 . 1 75 75 GLY H H 1 8.036 0.01 . 1 . . . . . 75 G H . 28092 1 828 . 1 . 1 75 75 GLY HA2 H 1 3.940 0.01 . 2 . . . . . 75 G QA . 28092 1 829 . 1 . 1 75 75 GLY HA3 H 1 3.940 0.01 . 2 . . . . . 75 G QA . 28092 1 830 . 1 . 1 75 75 GLY C C 13 174.316 0.2 . 1 . . . . . 75 G C . 28092 1 831 . 1 . 1 75 75 GLY CA C 13 46.820 0.2 . 1 . . . . . 75 G CA . 28092 1 832 . 1 . 1 75 75 GLY N N 15 111.746 0.2 . 1 . . . . . 75 G N . 28092 1 833 . 1 . 1 76 76 VAL H H 1 8.111 0.01 . 1 . . . . . 76 V H . 28092 1 834 . 1 . 1 76 76 VAL HA H 1 4.142 0.01 . 1 . . . . . 76 V HA . 28092 1 835 . 1 . 1 76 76 VAL HB H 1 1.609 0.01 . 1 . . . . . 76 V HB . 28092 1 836 . 1 . 1 76 76 VAL HG11 H 1 0.825 0.01 . 2 . . . . . 76 V QG1 . 28092 1 837 . 1 . 1 76 76 VAL HG12 H 1 0.825 0.01 . 2 . . . . . 76 V QG1 . 28092 1 838 . 1 . 1 76 76 VAL HG13 H 1 0.825 0.01 . 2 . . . . . 76 V QG1 . 28092 1 839 . 1 . 1 76 76 VAL HG21 H 1 0.738 0.01 . 2 . . . . . 76 V QG2 . 28092 1 840 . 1 . 1 76 76 VAL HG22 H 1 0.738 0.01 . 2 . . . . . 76 V QG2 . 28092 1 841 . 1 . 1 76 76 VAL HG23 H 1 0.738 0.01 . 2 . . . . . 76 V QG2 . 28092 1 842 . 1 . 1 76 76 VAL C C 13 174.459 0.2 . 1 . . . . . 76 V C . 28092 1 843 . 1 . 1 76 76 VAL CA C 13 60.418 0.2 . 1 . . . . . 76 V CA . 28092 1 844 . 1 . 1 76 76 VAL CB C 13 34.680 0.2 . 1 . . . . . 76 V CB . 28092 1 845 . 1 . 1 76 76 VAL CG1 C 13 21.777 0.2 . 2 . . . . . 76 V CG1 . 28092 1 846 . 1 . 1 76 76 VAL CG2 C 13 20.907 0.2 . 2 . . . . . 76 V CG2 . 28092 1 847 . 1 . 1 76 76 VAL N N 15 118.927 0.2 . 1 . . . . . 76 V N . 28092 1 848 . 1 . 1 77 77 ASN H H 1 8.932 0.01 . 1 . . . . . 77 N H . 28092 1 849 . 1 . 1 77 77 ASN HA H 1 4.742 0.01 . 1 . . . . . 77 N HA . 28092 1 850 . 1 . 1 77 77 ASN HB2 H 1 2.752 0.01 . 2 . . . . . 77 N HB2 . 28092 1 851 . 1 . 1 77 77 ASN HB3 H 1 2.553 0.01 . 2 . . . . . 77 N HB3 . 28092 1 852 . 1 . 1 77 77 ASN HD21 H 1 7.594 0.01 . 2 . . . . . 77 N HD21 . 28092 1 853 . 1 . 1 77 77 ASN HD22 H 1 6.846 0.01 . 2 . . . . . 77 N HD22 . 28092 1 854 . 1 . 1 77 77 ASN C C 13 174.524 0.2 . 1 . . . . . 77 N C . 28092 1 855 . 1 . 1 77 77 ASN CA C 13 51.773 0.2 . 1 . . . . . 77 N CA . 28092 1 856 . 1 . 1 77 77 ASN CB C 13 37.217 0.2 . 1 . . . . . 77 N CB . 28092 1 857 . 1 . 1 77 77 ASN CG C 13 177.096 0.2 . 1 . . . . . 77 N CG . 28092 1 858 . 1 . 1 77 77 ASN N N 15 127.153 0.2 . 1 . . . . . 77 N N . 28092 1 859 . 1 . 1 77 77 ASN ND2 N 15 112.020 0.2 . 1 . . . . . 77 N ND2 . 28092 1 860 . 1 . 1 78 78 ILE H H 1 7.487 0.01 . 1 . . . . . 78 I H . 28092 1 861 . 1 . 1 78 78 ILE HA H 1 4.353 0.01 . 1 . . . . . 78 I HA . 28092 1 862 . 1 . 1 78 78 ILE HB H 1 1.483 0.01 . 1 . . . . . 78 I HB . 28092 1 863 . 1 . 1 78 78 ILE HG12 H 1 1.276 0.01 . 2 . . . . . 78 I HG12 . 28092 1 864 . 1 . 1 78 78 ILE HG13 H 1 0.900 0.01 . 2 . . . . . 78 I HG13 . 28092 1 865 . 1 . 1 78 78 ILE HG21 H 1 0.339 0.01 . 1 . . . . . 78 I QG2 . 28092 1 866 . 1 . 1 78 78 ILE HG22 H 1 0.339 0.01 . 1 . . . . . 78 I QG2 . 28092 1 867 . 1 . 1 78 78 ILE HG23 H 1 0.339 0.01 . 1 . . . . . 78 I QG2 . 28092 1 868 . 1 . 1 78 78 ILE HD11 H 1 0.657 0.01 . 1 . . . . . 78 I QD1 . 28092 1 869 . 1 . 1 78 78 ILE HD12 H 1 0.657 0.01 . 1 . . . . . 78 I QD1 . 28092 1 870 . 1 . 1 78 78 ILE HD13 H 1 0.657 0.01 . 1 . . . . . 78 I QD1 . 28092 1 871 . 1 . 1 78 78 ILE CA C 13 57.485 0.2 . 1 . . . . . 78 I CA . 28092 1 872 . 1 . 1 78 78 ILE CB C 13 38.526 0.2 . 1 . . . . . 78 I CB . 28092 1 873 . 1 . 1 78 78 ILE CG1 C 13 27.704 0.2 . 1 . . . . . 78 I CG1 . 28092 1 874 . 1 . 1 78 78 ILE CG2 C 13 15.838 0.2 . 1 . . . . . 78 I CG2 . 28092 1 875 . 1 . 1 78 78 ILE CD1 C 13 11.613 0.2 . 1 . . . . . 78 I CD1 . 28092 1 876 . 1 . 1 78 78 ILE N N 15 124.994 0.2 . 1 . . . . . 78 I N . 28092 1 877 . 1 . 1 79 79 PRO HA H 1 4.590 0.01 . 1 . . . . . 79 P HA . 28092 1 878 . 1 . 1 79 79 PRO HB2 H 1 2.359 0.01 . 2 . . . . . 79 P HB2 . 28092 1 879 . 1 . 1 79 79 PRO HB3 H 1 2.176 0.01 . 2 . . . . . 79 P HB3 . 28092 1 880 . 1 . 1 79 79 PRO HG2 H 1 2.091 0.01 . 2 . . . . . 79 P HG2 . 28092 1 881 . 1 . 1 79 79 PRO HG3 H 1 1.835 0.01 . 2 . . . . . 79 P HG3 . 28092 1 882 . 1 . 1 79 79 PRO HD2 H 1 4.010 0.01 . 2 . . . . . 79 P HD2 . 28092 1 883 . 1 . 1 79 79 PRO HD3 H 1 3.399 0.01 . 2 . . . . . 79 P HD3 . 28092 1 884 . 1 . 1 79 79 PRO C C 13 174.029 0.2 . 1 . . . . . 79 P C . 28092 1 885 . 1 . 1 79 79 PRO CA C 13 64.452 0.2 . 1 . . . . . 79 P CA . 28092 1 886 . 1 . 1 79 79 PRO CB C 13 30.652 0.2 . 1 . . . . . 79 P CB . 28092 1 887 . 1 . 1 79 79 PRO CG C 13 27.163 0.2 . 1 . . . . . 79 P CG . 28092 1 888 . 1 . 1 79 79 PRO CD C 13 51.358 0.2 . 1 . . . . . 79 P CD . 28092 1 889 . 1 . 1 80 80 TYR H H 1 6.672 0.01 . 1 . . . . . 80 Y H . 28092 1 890 . 1 . 1 80 80 TYR HA H 1 4.758 0.01 . 1 . . . . . 80 Y HA . 28092 1 891 . 1 . 1 80 80 TYR HB2 H 1 3.122 0.01 . 2 . . . . . 80 Y HB2 . 28092 1 892 . 1 . 1 80 80 TYR HB3 H 1 2.823 0.01 . 2 . . . . . 80 Y HB3 . 28092 1 893 . 1 . 1 80 80 TYR HD1 H 1 6.578 0.01 . 3 . . . . . 80 Y HD# . 28092 1 894 . 1 . 1 80 80 TYR HD2 H 1 6.578 0.01 . 3 . . . . . 80 Y HD# . 28092 1 895 . 1 . 1 80 80 TYR HE1 H 1 6.526 0.01 . 3 . . . . . 80 Y HE# . 28092 1 896 . 1 . 1 80 80 TYR HE2 H 1 6.526 0.01 . 3 . . . . . 80 Y HE# . 28092 1 897 . 1 . 1 80 80 TYR C C 13 173.199 0.2 . 1 . . . . . 80 Y C . 28092 1 898 . 1 . 1 80 80 TYR CA C 13 54.447 0.2 . 1 . . . . . 80 Y CA . 28092 1 899 . 1 . 1 80 80 TYR CB C 13 40.123 0.2 . 1 . . . . . 80 Y CB . 28092 1 900 . 1 . 1 80 80 TYR CD1 C 13 133.492 0.2 . 3 . . . . . 80 Y CD1 . 28092 1 901 . 1 . 1 80 80 TYR CE1 C 13 117.481 0.2 . 3 . . . . . 80 Y CE1 . 28092 1 902 . 1 . 1 80 80 TYR N N 15 115.925 0.2 . 1 . . . . . 80 Y N . 28092 1 903 . 1 . 1 81 81 LYS H H 1 8.488 0.01 . 1 . . . . . 81 K H . 28092 1 904 . 1 . 1 81 81 LYS HA H 1 4.281 0.01 . 1 . . . . . 81 K HA . 28092 1 905 . 1 . 1 81 81 LYS HB2 H 1 1.730 0.01 . 2 . . . . . 81 K HB2 . 28092 1 906 . 1 . 1 81 81 LYS HB3 H 1 1.681 0.01 . 2 . . . . . 81 K HB3 . 28092 1 907 . 1 . 1 81 81 LYS HG2 H 1 1.515 0.01 . 2 . . . . . 81 K HG2 . 28092 1 908 . 1 . 1 81 81 LYS HG3 H 1 1.185 0.01 . 2 . . . . . 81 K HG3 . 28092 1 909 . 1 . 1 81 81 LYS C C 13 177.441 0.2 . 1 . . . . . 81 K C . 28092 1 910 . 1 . 1 81 81 LYS CA C 13 55.515 0.2 . 1 . . . . . 81 K CA . 28092 1 911 . 1 . 1 81 81 LYS CB C 13 33.108 0.2 . 1 . . . . . 81 K CB . 28092 1 912 . 1 . 1 81 81 LYS CG C 13 25.248 0.2 . 1 . . . . . 81 K CG . 28092 1 913 . 1 . 1 81 81 LYS N N 15 119.642 0.2 . 1 . . . . . 81 K N . 28092 1 914 . 1 . 1 82 82 ILE H H 1 9.341 0.01 . 1 . . . . . 82 I H . 28092 1 915 . 1 . 1 82 82 ILE HA H 1 4.172 0.01 . 1 . . . . . 82 I HA . 28092 1 916 . 1 . 1 82 82 ILE HB H 1 1.941 0.01 . 1 . . . . . 82 I HB . 28092 1 917 . 1 . 1 82 82 ILE HG13 H 1 1.049 0.01 . 2 . . . . . 82 I HG13 . 28092 1 918 . 1 . 1 82 82 ILE HG21 H 1 0.777 0.01 . 1 . . . . . 82 I QG2 . 28092 1 919 . 1 . 1 82 82 ILE HG22 H 1 0.777 0.01 . 1 . . . . . 82 I QG2 . 28092 1 920 . 1 . 1 82 82 ILE HG23 H 1 0.777 0.01 . 1 . . . . . 82 I QG2 . 28092 1 921 . 1 . 1 82 82 ILE HD11 H 1 0.879 0.01 . 1 . . . . . 82 I QD1 . 28092 1 922 . 1 . 1 82 82 ILE HD12 H 1 0.879 0.01 . 1 . . . . . 82 I QD1 . 28092 1 923 . 1 . 1 82 82 ILE HD13 H 1 0.879 0.01 . 1 . . . . . 82 I QD1 . 28092 1 924 . 1 . 1 82 82 ILE C C 13 173.746 0.2 . 1 . . . . . 82 I C . 28092 1 925 . 1 . 1 82 82 ILE CA C 13 61.701 0.2 . 1 . . . . . 82 I CA . 28092 1 926 . 1 . 1 82 82 ILE CB C 13 35.681 0.2 . 1 . . . . . 82 I CB . 28092 1 927 . 1 . 1 82 82 ILE CG1 C 13 26.657 0.2 . 1 . . . . . 82 I CG1 . 28092 1 928 . 1 . 1 82 82 ILE CG2 C 13 18.042 0.2 . 1 . . . . . 82 I CG2 . 28092 1 929 . 1 . 1 82 82 ILE CD1 C 13 12.474 0.2 . 1 . . . . . 82 I CD1 . 28092 1 930 . 1 . 1 82 82 ILE N N 15 130.020 0.2 . 1 . . . . . 82 I N . 28092 1 931 . 1 . 1 83 83 SER H H 1 7.454 0.01 . 1 . . . . . 83 S H . 28092 1 932 . 1 . 1 83 83 SER HA H 1 4.327 0.01 . 1 . . . . . 83 S HA . 28092 1 933 . 1 . 1 83 83 SER HB2 H 1 3.913 0.01 . 2 . . . . . 83 S HB2 . 28092 1 934 . 1 . 1 83 83 SER HB3 H 1 3.559 0.01 . 2 . . . . . 83 S HB3 . 28092 1 935 . 1 . 1 83 83 SER C C 13 173.986 0.2 . 1 . . . . . 83 S C . 28092 1 936 . 1 . 1 83 83 SER CA C 13 56.755 0.2 . 1 . . . . . 83 S CA . 28092 1 937 . 1 . 1 83 83 SER CB C 13 64.338 0.2 . 1 . . . . . 83 S CB . 28092 1 938 . 1 . 1 83 83 SER N N 15 118.968 0.2 . 1 . . . . . 83 S N . 28092 1 939 . 1 . 1 84 84 LEU H H 1 8.796 0.01 . 1 . . . . . 84 L H . 28092 1 940 . 1 . 1 84 84 LEU HA H 1 4.176 0.01 . 1 . . . . . 84 L HA . 28092 1 941 . 1 . 1 84 84 LEU HB2 H 1 1.742 0.01 . 2 . . . . . 84 L HB2 . 28092 1 942 . 1 . 1 84 84 LEU HB3 H 1 1.634 0.01 . 2 . . . . . 84 L HB3 . 28092 1 943 . 1 . 1 84 84 LEU HD11 H 1 0.984 0.01 . 2 . . . . . 84 L QD1 . 28092 1 944 . 1 . 1 84 84 LEU HD12 H 1 0.984 0.01 . 2 . . . . . 84 L QD1 . 28092 1 945 . 1 . 1 84 84 LEU HD13 H 1 0.984 0.01 . 2 . . . . . 84 L QD1 . 28092 1 946 . 1 . 1 84 84 LEU HD21 H 1 0.954 0.01 . 2 . . . . . 84 L QD2 . 28092 1 947 . 1 . 1 84 84 LEU HD22 H 1 0.954 0.01 . 2 . . . . . 84 L QD2 . 28092 1 948 . 1 . 1 84 84 LEU HD23 H 1 0.954 0.01 . 2 . . . . . 84 L QD2 . 28092 1 949 . 1 . 1 84 84 LEU C C 13 177.322 0.2 . 1 . . . . . 84 L C . 28092 1 950 . 1 . 1 84 84 LEU CA C 13 57.196 0.2 . 1 . . . . . 84 L CA . 28092 1 951 . 1 . 1 84 84 LEU CB C 13 41.764 0.2 . 1 . . . . . 84 L CB . 28092 1 952 . 1 . 1 84 84 LEU CD1 C 13 25.140 0.2 . 2 . . . . . 84 L CD1 . 28092 1 953 . 1 . 1 84 84 LEU CD2 C 13 24.718 0.2 . 2 . . . . . 84 L CD2 . 28092 1 954 . 1 . 1 84 84 LEU N N 15 123.909 0.2 . 1 . . . . . 84 L N . 28092 1 955 . 1 . 1 85 85 GLU H H 1 8.391 0.01 . 1 . . . . . 85 E H . 28092 1 956 . 1 . 1 85 85 GLU HA H 1 4.290 0.01 . 1 . . . . . 85 E HA . 28092 1 957 . 1 . 1 85 85 GLU HB2 H 1 2.136 0.01 . 2 . . . . . 85 E HB2 . 28092 1 958 . 1 . 1 85 85 GLU HB3 H 1 1.855 0.01 . 2 . . . . . 85 E HB3 . 28092 1 959 . 1 . 1 85 85 GLU HG2 H 1 2.209 0.01 . 2 . . . . . 85 E QG . 28092 1 960 . 1 . 1 85 85 GLU HG3 H 1 2.209 0.01 . 2 . . . . . 85 E QG . 28092 1 961 . 1 . 1 85 85 GLU C C 13 176.962 0.2 . 1 . . . . . 85 E C . 28092 1 962 . 1 . 1 85 85 GLU CA C 13 56.169 0.2 . 1 . . . . . 85 E CA . 28092 1 963 . 1 . 1 85 85 GLU CB C 13 29.863 0.2 . 1 . . . . . 85 E CB . 28092 1 964 . 1 . 1 85 85 GLU CG C 13 36.297 0.2 . 1 . . . . . 85 E CG . 28092 1 965 . 1 . 1 85 85 GLU N N 15 115.027 0.2 . 1 . . . . . 85 E N . 28092 1 966 . 1 . 1 86 86 THR H H 1 7.207 0.01 . 1 . . . . . 86 T H . 28092 1 967 . 1 . 1 86 86 THR HA H 1 3.779 0.01 . 1 . . . . . 86 T HA . 28092 1 968 . 1 . 1 86 86 THR HB H 1 4.121 0.01 . 1 . . . . . 86 T HB . 28092 1 969 . 1 . 1 86 86 THR HG21 H 1 1.197 0.01 . 1 . . . . . 86 T QG2 . 28092 1 970 . 1 . 1 86 86 THR HG22 H 1 1.197 0.01 . 1 . . . . . 86 T QG2 . 28092 1 971 . 1 . 1 86 86 THR HG23 H 1 1.197 0.01 . 1 . . . . . 86 T QG2 . 28092 1 972 . 1 . 1 86 86 THR C C 13 172.464 0.2 . 1 . . . . . 86 T C . 28092 1 973 . 1 . 1 86 86 THR CA C 13 64.055 0.2 . 1 . . . . . 86 T CA . 28092 1 974 . 1 . 1 86 86 THR CB C 13 70.109 0.2 . 1 . . . . . 86 T CB . 28092 1 975 . 1 . 1 86 86 THR CG2 C 13 22.446 0.2 . 1 . . . . . 86 T CG2 . 28092 1 976 . 1 . 1 86 86 THR N N 15 118.784 0.2 . 1 . . . . . 86 T N . 28092 1 977 . 1 . 1 87 87 ASP H H 1 8.935 0.01 . 1 . . . . . 87 D H . 28092 1 978 . 1 . 1 87 87 ASP HA H 1 4.783 0.01 . 1 . . . . . 87 D HA . 28092 1 979 . 1 . 1 87 87 ASP HB2 H 1 2.906 0.01 . 2 . . . . . 87 D HB2 . 28092 1 980 . 1 . 1 87 87 ASP HB3 H 1 2.610 0.01 . 2 . . . . . 87 D HB3 . 28092 1 981 . 1 . 1 87 87 ASP C C 13 177.779 0.2 . 1 . . . . . 87 D C . 28092 1 982 . 1 . 1 87 87 ASP CA C 13 52.093 0.2 . 1 . . . . . 87 D CA . 28092 1 983 . 1 . 1 87 87 ASP CB C 13 39.301 0.2 . 1 . . . . . 87 D CB . 28092 1 984 . 1 . 1 87 87 ASP N N 15 125.445 0.2 . 1 . . . . . 87 D N . 28092 1 985 . 1 . 1 88 88 CYS H H 1 8.779 0.01 . 1 . . . . . 88 C H . 28092 1 986 . 1 . 1 88 88 CYS HA H 1 4.365 0.01 . 1 . . . . . 88 C HA . 28092 1 987 . 1 . 1 88 88 CYS HB2 H 1 3.063 0.01 . 2 . . . . . 88 C HB2 . 28092 1 988 . 1 . 1 88 88 CYS HB3 H 1 2.817 0.01 . 2 . . . . . 88 C HB3 . 28092 1 989 . 1 . 1 88 88 CYS C C 13 175.604 0.2 . 1 . . . . . 88 C C . 28092 1 990 . 1 . 1 88 88 CYS CA C 13 55.604 0.2 . 1 . . . . . 88 C CA . 28092 1 991 . 1 . 1 88 88 CYS CB C 13 36.585 0.2 . 1 . . . . . 88 C CB . 28092 1 992 . 1 . 1 88 88 CYS N N 15 126.470 0.2 . 1 . . . . . 88 C N . 28092 1 993 . 1 . 1 89 89 ASN H H 1 8.361 0.01 . 1 . . . . . 89 N H . 28092 1 994 . 1 . 1 89 89 ASN HA H 1 4.432 0.01 . 1 . . . . . 89 N HA . 28092 1 995 . 1 . 1 89 89 ASN HB2 H 1 2.970 0.01 . 2 . . . . . 89 N HB2 . 28092 1 996 . 1 . 1 89 89 ASN HB3 H 1 2.835 0.01 . 2 . . . . . 89 N HB3 . 28092 1 997 . 1 . 1 89 89 ASN HD21 H 1 7.998 0.01 . 2 . . . . . 89 N HD21 . 28092 1 998 . 1 . 1 89 89 ASN HD22 H 1 7.125 0.01 . 2 . . . . . 89 N HD22 . 28092 1 999 . 1 . 1 89 89 ASN C C 13 176.168 0.2 . 1 . . . . . 89 N C . 28092 1 1000 . 1 . 1 89 89 ASN CA C 13 54.921 0.2 . 1 . . . . . 89 N CA . 28092 1 1001 . 1 . 1 89 89 ASN CB C 13 37.984 0.2 . 1 . . . . . 89 N CB . 28092 1 1002 . 1 . 1 89 89 ASN CG C 13 177.099 0.2 . 1 . . . . . 89 N CG . 28092 1 1003 . 1 . 1 89 89 ASN N N 15 115.137 0.2 . 1 . . . . . 89 N N . 28092 1 1004 . 1 . 1 89 89 ASN ND2 N 15 115.274 0.2 . 1 . . . . . 89 N ND2 . 28092 1 1005 . 1 . 1 90 90 LYS H H 1 7.203 0.01 . 1 . . . . . 90 K H . 28092 1 1006 . 1 . 1 90 90 LYS HA H 1 4.362 0.01 . 1 . . . . . 90 K HA . 28092 1 1007 . 1 . 1 90 90 LYS HB2 H 1 2.111 0.01 . 2 . . . . . 90 K HB2 . 28092 1 1008 . 1 . 1 90 90 LYS HB3 H 1 1.710 0.01 . 2 . . . . . 90 K HB3 . 28092 1 1009 . 1 . 1 90 90 LYS HG2 H 1 1.430 0.01 . 2 . . . . . 90 K HG2 . 28092 1 1010 . 1 . 1 90 90 LYS HG3 H 1 1.304 0.01 . 2 . . . . . 90 K HG3 . 28092 1 1011 . 1 . 1 90 90 LYS C C 13 176.250 0.2 . 1 . . . . . 90 K C . 28092 1 1012 . 1 . 1 90 90 LYS CA C 13 55.324 0.2 . 1 . . . . . 90 K CA . 28092 1 1013 . 1 . 1 90 90 LYS CB C 13 33.021 0.2 . 1 . . . . . 90 K CB . 28092 1 1014 . 1 . 1 90 90 LYS CG C 13 25.330 0.2 . 1 . . . . . 90 K CG . 28092 1 1015 . 1 . 1 90 90 LYS N N 15 116.065 0.2 . 1 . . . . . 90 K N . 28092 1 1016 . 1 . 1 91 91 VAL H H 1 6.979 0.01 . 1 . . . . . 91 V H . 28092 1 1017 . 1 . 1 91 91 VAL HA H 1 3.899 0.01 . 1 . . . . . 91 V HA . 28092 1 1018 . 1 . 1 91 91 VAL HB H 1 2.170 0.01 . 1 . . . . . 91 V HB . 28092 1 1019 . 1 . 1 91 91 VAL HG11 H 1 1.125 0.01 . 2 . . . . . 91 V QG1 . 28092 1 1020 . 1 . 1 91 91 VAL HG12 H 1 1.125 0.01 . 2 . . . . . 91 V QG1 . 28092 1 1021 . 1 . 1 91 91 VAL HG13 H 1 1.125 0.01 . 2 . . . . . 91 V QG1 . 28092 1 1022 . 1 . 1 91 91 VAL HG21 H 1 0.945 0.01 . 2 . . . . . 91 V QG2 . 28092 1 1023 . 1 . 1 91 91 VAL HG22 H 1 0.945 0.01 . 2 . . . . . 91 V QG2 . 28092 1 1024 . 1 . 1 91 91 VAL HG23 H 1 0.945 0.01 . 2 . . . . . 91 V QG2 . 28092 1 1025 . 1 . 1 91 91 VAL C C 13 174.495 0.2 . 1 . . . . . 91 V C . 28092 1 1026 . 1 . 1 91 91 VAL CA C 13 63.344 0.2 . 1 . . . . . 91 V CA . 28092 1 1027 . 1 . 1 91 91 VAL CB C 13 32.829 0.2 . 1 . . . . . 91 V CB . 28092 1 1028 . 1 . 1 91 91 VAL CG1 C 13 24.217 0.2 . 2 . . . . . 91 V CG1 . 28092 1 1029 . 1 . 1 91 91 VAL CG2 C 13 21.946 0.2 . 2 . . . . . 91 V CG2 . 28092 1 1030 . 1 . 1 91 91 VAL N N 15 122.058 0.2 . 1 . . . . . 91 V N . 28092 1 1031 . 1 . 1 92 92 LYS H H 1 8.165 0.01 . 1 . . . . . 92 K H . 28092 1 1032 . 1 . 1 92 92 LYS HA H 1 4.445 0.01 . 1 . . . . . 92 K HA . 28092 1 1033 . 1 . 1 92 92 LYS HB2 H 1 1.841 0.01 . 2 . . . . . 92 K HB2 . 28092 1 1034 . 1 . 1 92 92 LYS HB3 H 1 1.694 0.01 . 2 . . . . . 92 K HB3 . 28092 1 1035 . 1 . 1 92 92 LYS HG2 H 1 1.472 0.01 . 2 . . . . . 92 K HG2 . 28092 1 1036 . 1 . 1 92 92 LYS HG3 H 1 1.404 0.01 . 2 . . . . . 92 K HG3 . 28092 1 1037 . 1 . 1 92 92 LYS C C 13 181.603 0.2 . 1 . . . . . 92 K C . 28092 1 1038 . 1 . 1 92 92 LYS CA C 13 57.390 0.2 . 1 . . . . . 92 K CA . 28092 1 1039 . 1 . 1 92 92 LYS CB C 13 34.907 0.2 . 1 . . . . . 92 K CB . 28092 1 1040 . 1 . 1 92 92 LYS CG C 13 25.174 0.2 . 1 . . . . . 92 K CG . 28092 1 1041 . 1 . 1 92 92 LYS N N 15 131.366 0.2 . 1 . . . . . 92 K N . 28092 1 stop_ save_ save_assigned_chem_shift_list_298K _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_298K _Assigned_chem_shift_list.Entry_ID 28092 _Assigned_chem_shift_list.ID 2 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 2 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2 _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 10 '2D 1H-15N HSQC' . . . 28092 2 11 '3D HNCACB' . . . 28092 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID _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 CA C 13 55.026 0.3 . 1 . . . . . 1 M CA . 28092 2 2 . 1 . 1 1 1 MET CB C 13 32.746 0.3 . 1 . . . . . 1 M CB . 28092 2 3 . 1 . 1 2 2 ILE H H 1 8.444 0.01 . 1 . . . . . 2 I H . 28092 2 4 . 1 . 1 2 2 ILE CA C 13 60.462 0.3 . 1 . . . . . 2 I CA . 28092 2 5 . 1 . 1 2 2 ILE CB C 13 39.819 0.3 . 1 . . . . . 2 I CB . 28092 2 6 . 1 . 1 2 2 ILE N N 15 125.110 0.2 . 1 . . . . . 2 I N . 28092 2 7 . 1 . 1 3 3 LYS H H 1 8.679 0.01 . 1 . . . . . 3 K H . 28092 2 8 . 1 . 1 3 3 LYS CA C 13 54.240 0.3 . 1 . . . . . 3 K CA . 28092 2 9 . 1 . 1 3 3 LYS CB C 13 34.979 0.3 . 1 . . . . . 3 K CB . 28092 2 10 . 1 . 1 3 3 LYS N N 15 123.495 0.2 . 1 . . . . . 3 K N . 28092 2 11 . 1 . 1 4 4 CYS H H 1 9.321 0.01 . 1 . . . . . 4 C H . 28092 2 12 . 1 . 1 4 4 CYS N N 15 119.909 0.2 . 1 . . . . . 4 C N . 28092 2 13 . 1 . 1 5 5 SER CA C 13 61.387 0.3 . 1 . . . . . 5 S CA . 28092 2 14 . 1 . 1 6 6 ASP H H 1 7.158 0.01 . 1 . . . . . 6 D H . 28092 2 15 . 1 . 1 6 6 ASP CA C 13 57.338 0.3 . 1 . . . . . 6 D CA . 28092 2 16 . 1 . 1 6 6 ASP CB C 13 41.365 0.3 . 1 . . . . . 6 D CB . 28092 2 17 . 1 . 1 6 6 ASP N N 15 121.974 0.2 . 1 . . . . . 6 D N . 28092 2 18 . 1 . 1 7 7 VAL H H 1 7.411 0.01 . 1 . . . . . 7 V H . 28092 2 19 . 1 . 1 7 7 VAL CA C 13 66.753 0.3 . 1 . . . . . 7 V CA . 28092 2 20 . 1 . 1 7 7 VAL CB C 13 31.276 0.3 . 1 . . . . . 7 V CB . 28092 2 21 . 1 . 1 7 7 VAL N N 15 119.589 0.2 . 1 . . . . . 7 V N . 28092 2 22 . 1 . 1 8 8 SER H H 1 8.579 0.01 . 1 . . . . . 8 S H . 28092 2 23 . 1 . 1 8 8 SER CA C 13 62.380 0.3 . 1 . . . . . 8 S CA . 28092 2 24 . 1 . 1 8 8 SER N N 15 113.739 0.2 . 1 . . . . . 8 S N . 28092 2 25 . 1 . 1 9 9 ASN H H 1 7.759 0.01 . 1 . . . . . 9 N H . 28092 2 26 . 1 . 1 9 9 ASN HD21 H 1 7.740 0.01 . 2 . . . . . 9 N HD21 . 28092 2 27 . 1 . 1 9 9 ASN HD22 H 1 6.982 0.01 . 2 . . . . . 9 N HD22 . 28092 2 28 . 1 . 1 9 9 ASN CA C 13 56.364 0.3 . 1 . . . . . 9 N CA . 28092 2 29 . 1 . 1 9 9 ASN CB C 13 38.492 0.3 . 1 . . . . . 9 N CB . 28092 2 30 . 1 . 1 9 9 ASN N N 15 118.988 0.2 . 1 . . . . . 9 N N . 28092 2 31 . 1 . 1 9 9 ASN ND2 N 15 112.766 0.2 . 1 . . . . . 9 N ND2 . 28092 2 32 . 1 . 1 10 10 LYS H H 1 7.933 0.01 . 1 . . . . . 10 K H . 28092 2 33 . 1 . 1 10 10 LYS CA C 13 58.612 0.3 . 1 . . . . . 10 K CA . 28092 2 34 . 1 . 1 10 10 LYS CB C 13 32.318 0.3 . 1 . . . . . 10 K CB . 28092 2 35 . 1 . 1 10 10 LYS N N 15 118.737 0.2 . 1 . . . . . 10 K N . 28092 2 36 . 1 . 1 11 11 ILE H H 1 7.504 0.01 . 1 . . . . . 11 I H . 28092 2 37 . 1 . 1 11 11 ILE CA C 13 60.207 0.3 . 1 . . . . . 11 I CA . 28092 2 38 . 1 . 1 11 11 ILE CB C 13 39.437 0.3 . 1 . . . . . 11 I CB . 28092 2 39 . 1 . 1 11 11 ILE N N 15 108.643 0.2 . 1 . . . . . 11 I N . 28092 2 40 . 1 . 1 12 12 SER H H 1 7.525 0.01 . 1 . . . . . 12 S H . 28092 2 41 . 1 . 1 12 12 SER CA C 13 62.135 0.3 . 1 . . . . . 12 S CA . 28092 2 42 . 1 . 1 12 12 SER CB C 13 63.010 0.3 . 1 . . . . . 12 S CB . 28092 2 43 . 1 . 1 12 12 SER N N 15 119.480 0.2 . 1 . . . . . 12 S N . 28092 2 44 . 1 . 1 13 13 ALA H H 1 8.788 0.01 . 1 . . . . . 13 A H . 28092 2 45 . 1 . 1 13 13 ALA CA C 13 53.307 0.3 . 1 . . . . . 13 A CA . 28092 2 46 . 1 . 1 13 13 ALA CB C 13 18.282 0.3 . 1 . . . . . 13 A CB . 28092 2 47 . 1 . 1 13 13 ALA N N 15 122.241 0.2 . 1 . . . . . 13 A N . 28092 2 48 . 1 . 1 14 14 CYS H H 1 8.607 0.01 . 1 . . . . . 14 C H . 28092 2 49 . 1 . 1 14 14 CYS CA C 13 53.951 0.3 . 1 . . . . . 14 C CA . 28092 2 50 . 1 . 1 14 14 CYS CB C 13 42.913 0.3 . 1 . . . . . 14 C CB . 28092 2 51 . 1 . 1 14 14 CYS N N 15 114.845 0.2 . 1 . . . . . 14 C N . 28092 2 52 . 1 . 1 15 15 LEU H H 1 7.416 0.01 . 1 . . . . . 15 L H . 28092 2 53 . 1 . 1 15 15 LEU CA C 13 59.681 0.3 . 1 . . . . . 15 L CA . 28092 2 54 . 1 . 1 15 15 LEU CB C 13 40.834 0.3 . 1 . . . . . 15 L CB . 28092 2 55 . 1 . 1 15 15 LEU N N 15 118.776 0.2 . 1 . . . . . 15 L N . 28092 2 56 . 1 . 1 16 16 SER H H 1 8.358 0.01 . 1 . . . . . 16 S H . 28092 2 57 . 1 . 1 16 16 SER CA C 13 62.236 0.3 . 1 . . . . . 16 S CA . 28092 2 58 . 1 . 1 16 16 SER N N 15 113.442 0.2 . 1 . . . . . 16 S N . 28092 2 59 . 1 . 1 17 17 TYR H H 1 8.348 0.01 . 1 . . . . . 17 Y H . 28092 2 60 . 1 . 1 17 17 TYR CA C 13 60.968 0.3 . 1 . . . . . 17 Y CA . 28092 2 61 . 1 . 1 17 17 TYR CB C 13 37.709 0.3 . 1 . . . . . 17 Y CB . 28092 2 62 . 1 . 1 17 17 TYR N N 15 125.236 0.2 . 1 . . . . . 17 Y N . 28092 2 63 . 1 . 1 18 18 LEU H H 1 8.101 0.01 . 1 . . . . . 18 L H . 28092 2 64 . 1 . 1 18 18 LEU CA C 13 57.511 0.3 . 1 . . . . . 18 L CA . 28092 2 65 . 1 . 1 18 18 LEU CB C 13 41.917 0.3 . 1 . . . . . 18 L CB . 28092 2 66 . 1 . 1 18 18 LEU N N 15 116.898 0.2 . 1 . . . . . 18 L N . 28092 2 67 . 1 . 1 19 19 LYS H H 1 7.338 0.01 . 1 . . . . . 19 K H . 28092 2 68 . 1 . 1 19 19 LYS CA C 13 57.933 0.3 . 1 . . . . . 19 K CA . 28092 2 69 . 1 . 1 19 19 LYS CB C 13 34.836 0.3 . 1 . . . . . 19 K CB . 28092 2 70 . 1 . 1 19 19 LYS N N 15 114.548 0.2 . 1 . . . . . 19 K N . 28092 2 71 . 1 . 1 20 20 GLN H H 1 8.231 0.01 . 1 . . . . . 20 Q H . 28092 2 72 . 1 . 1 20 20 GLN HE21 H 1 7.410 0.01 . 2 . . . . . 20 Q HE21 . 28092 2 73 . 1 . 1 20 20 GLN HE22 H 1 6.848 0.01 . 2 . . . . . 20 Q HE22 . 28092 2 74 . 1 . 1 20 20 GLN CA C 13 55.764 0.3 . 1 . . . . . 20 Q CA . 28092 2 75 . 1 . 1 20 20 GLN CB C 13 31.392 0.3 . 1 . . . . . 20 Q CB . 28092 2 76 . 1 . 1 20 20 GLN N N 15 114.969 0.2 . 1 . . . . . 20 Q N . 28092 2 77 . 1 . 1 20 20 GLN NE2 N 15 111.197 0.2 . 1 . . . . . 20 Q NE2 . 28092 2 78 . 1 . 1 21 21 GLY H H 1 8.566 0.01 . 1 . . . . . 21 G H . 28092 2 79 . 1 . 1 21 21 GLY CA C 13 44.512 0.3 . 1 . . . . . 21 G CA . 28092 2 80 . 1 . 1 21 21 GLY N N 15 116.230 0.2 . 1 . . . . . 21 G N . 28092 2 81 . 1 . 1 22 22 GLY H H 1 8.174 0.01 . 1 . . . . . 22 G H . 28092 2 82 . 1 . 1 22 22 GLY CA C 13 44.383 0.3 . 1 . . . . . 22 G CA . 28092 2 83 . 1 . 1 22 22 GLY N N 15 109.445 0.2 . 1 . . . . . 22 G N . 28092 2 84 . 1 . 1 23 23 GLU H H 1 8.457 0.01 . 1 . . . . . 23 E H . 28092 2 85 . 1 . 1 23 23 GLU CA C 13 55.912 0.3 . 1 . . . . . 23 E CA . 28092 2 86 . 1 . 1 23 23 GLU CB C 13 30.212 0.3 . 1 . . . . . 23 E CB . 28092 2 87 . 1 . 1 23 23 GLU N N 15 122.293 0.2 . 1 . . . . . 23 E N . 28092 2 88 . 1 . 1 24 24 VAL H H 1 8.627 0.01 . 1 . . . . . 24 V H . 28092 2 89 . 1 . 1 24 24 VAL CA C 13 60.148 0.3 . 1 . . . . . 24 V CA . 28092 2 90 . 1 . 1 24 24 VAL CB C 13 32.185 0.3 . 1 . . . . . 24 V CB . 28092 2 91 . 1 . 1 24 24 VAL N N 15 126.201 0.2 . 1 . . . . . 24 V N . 28092 2 92 . 1 . 1 25 25 PRO CA C 13 62.741 0.3 . 1 . . . . . 25 P CA . 28092 2 93 . 1 . 1 25 25 PRO CB C 13 32.520 0.3 . 1 . . . . . 25 P CB . 28092 2 94 . 1 . 1 26 26 ALA H H 1 9.075 0.01 . 1 . . . . . 26 A H . 28092 2 95 . 1 . 1 26 26 ALA CA C 13 56.052 0.3 . 1 . . . . . 26 A CA . 28092 2 96 . 1 . 1 26 26 ALA CB C 13 17.937 0.3 . 1 . . . . . 26 A CB . 28092 2 97 . 1 . 1 26 26 ALA N N 15 128.737 0.2 . 1 . . . . . 26 A N . 28092 2 98 . 1 . 1 27 27 ASP H H 1 9.072 0.01 . 1 . . . . . 27 D H . 28092 2 99 . 1 . 1 27 27 ASP CA C 13 56.688 0.3 . 1 . . . . . 27 D CA . 28092 2 100 . 1 . 1 27 27 ASP CB C 13 39.456 0.3 . 1 . . . . . 27 D CB . 28092 2 101 . 1 . 1 27 27 ASP N N 15 114.390 0.2 . 1 . . . . . 27 D N . 28092 2 102 . 1 . 1 28 28 CYS H H 1 7.590 0.01 . 1 . . . . . 28 C H . 28092 2 103 . 1 . 1 28 28 CYS CA C 13 58.424 0.3 . 1 . . . . . 28 C CA . 28092 2 104 . 1 . 1 28 28 CYS CB C 13 37.680 0.3 . 1 . . . . . 28 C CB . 28092 2 105 . 1 . 1 28 28 CYS N N 15 118.171 0.2 . 1 . . . . . 28 C N . 28092 2 106 . 1 . 1 29 29 CYS H H 1 7.298 0.01 . 1 . . . . . 29 C H . 28092 2 107 . 1 . 1 29 29 CYS CA C 13 54.969 0.3 . 1 . . . . . 29 C CA . 28092 2 108 . 1 . 1 29 29 CYS CB C 13 32.210 0.3 . 1 . . . . . 29 C CB . 28092 2 109 . 1 . 1 29 29 CYS N N 15 116.991 0.2 . 1 . . . . . 29 C N . 28092 2 110 . 1 . 1 30 30 THR H H 1 8.810 0.01 . 1 . . . . . 30 T H . 28092 2 111 . 1 . 1 30 30 THR CA C 13 66.836 0.3 . 1 . . . . . 30 T CA . 28092 2 112 . 1 . 1 30 30 THR CB C 13 68.484 0.3 . 1 . . . . . 30 T CB . 28092 2 113 . 1 . 1 30 30 THR N N 15 118.758 0.2 . 1 . . . . . 30 T N . 28092 2 114 . 1 . 1 31 31 GLY H H 1 7.740 0.01 . 1 . . . . . 31 G H . 28092 2 115 . 1 . 1 31 31 GLY CA C 13 47.790 0.3 . 1 . . . . . 31 G CA . 28092 2 116 . 1 . 1 31 31 GLY N N 15 113.168 0.2 . 1 . . . . . 31 G N . 28092 2 117 . 1 . 1 32 32 VAL H H 1 8.540 0.01 . 1 . . . . . 32 V H . 28092 2 118 . 1 . 1 32 32 VAL CA C 13 67.050 0.3 . 1 . . . . . 32 V CA . 28092 2 119 . 1 . 1 32 32 VAL CB C 13 31.775 0.3 . 1 . . . . . 32 V CB . 28092 2 120 . 1 . 1 32 32 VAL N N 15 122.489 0.2 . 1 . . . . . 32 V N . 28092 2 121 . 1 . 1 33 33 LYS H H 1 8.404 0.01 . 1 . . . . . 33 K H . 28092 2 122 . 1 . 1 33 33 LYS CA C 13 60.266 0.3 . 1 . . . . . 33 K CA . 28092 2 123 . 1 . 1 33 33 LYS CB C 13 32.306 0.3 . 1 . . . . . 33 K CB . 28092 2 124 . 1 . 1 33 33 LYS N N 15 120.601 0.2 . 1 . . . . . 33 K N . 28092 2 125 . 1 . 1 34 34 GLY H H 1 8.251 0.01 . 1 . . . . . 34 G H . 28092 2 126 . 1 . 1 34 34 GLY CA C 13 47.125 0.3 . 1 . . . . . 34 G CA . 28092 2 127 . 1 . 1 34 34 GLY N N 15 106.930 0.2 . 1 . . . . . 34 G N . 28092 2 128 . 1 . 1 35 35 LEU H H 1 8.620 0.01 . 1 . . . . . 35 L H . 28092 2 129 . 1 . 1 35 35 LEU CA C 13 57.983 0.3 . 1 . . . . . 35 L CA . 28092 2 130 . 1 . 1 35 35 LEU CB C 13 41.858 0.3 . 1 . . . . . 35 L CB . 28092 2 131 . 1 . 1 35 35 LEU N N 15 124.515 0.2 . 1 . . . . . 35 L N . 28092 2 132 . 1 . 1 36 36 ASN H H 1 7.838 0.01 . 1 . . . . . 36 N H . 28092 2 133 . 1 . 1 36 36 ASN HD21 H 1 7.945 0.01 . 2 . . . . . 36 N HD21 . 28092 2 134 . 1 . 1 36 36 ASN HD22 H 1 6.573 0.01 . 2 . . . . . 36 N HD22 . 28092 2 135 . 1 . 1 36 36 ASN CA C 13 55.619 0.3 . 1 . . . . . 36 N CA . 28092 2 136 . 1 . 1 36 36 ASN CB C 13 39.465 0.3 . 1 . . . . . 36 N CB . 28092 2 137 . 1 . 1 36 36 ASN N N 15 117.340 0.2 . 1 . . . . . 36 N N . 28092 2 138 . 1 . 1 36 36 ASN ND2 N 15 114.307 0.2 . 1 . . . . . 36 N ND2 . 28092 2 139 . 1 . 1 37 37 ASP H H 1 8.343 0.01 . 1 . . . . . 37 D H . 28092 2 140 . 1 . 1 37 37 ASP CA C 13 56.437 0.3 . 1 . . . . . 37 D CA . 28092 2 141 . 1 . 1 37 37 ASP CB C 13 40.672 0.3 . 1 . . . . . 37 D CB . 28092 2 142 . 1 . 1 37 37 ASP N N 15 117.181 0.2 . 1 . . . . . 37 D N . 28092 2 143 . 1 . 1 38 38 ALA H H 1 7.658 0.01 . 1 . . . . . 38 A H . 28092 2 144 . 1 . 1 38 38 ALA CA C 13 53.063 0.3 . 1 . . . . . 38 A CA . 28092 2 145 . 1 . 1 38 38 ALA CB C 13 18.890 0.3 . 1 . . . . . 38 A CB . 28092 2 146 . 1 . 1 38 38 ALA N N 15 118.452 0.2 . 1 . . . . . 38 A N . 28092 2 147 . 1 . 1 39 39 ALA H H 1 7.250 0.01 . 1 . . . . . 39 A H . 28092 2 148 . 1 . 1 39 39 ALA CA C 13 50.415 0.3 . 1 . . . . . 39 A CA . 28092 2 149 . 1 . 1 39 39 ALA CB C 13 18.017 0.3 . 1 . . . . . 39 A CB . 28092 2 150 . 1 . 1 39 39 ALA N N 15 120.895 0.2 . 1 . . . . . 39 A N . 28092 2 151 . 1 . 1 40 40 LYS H H 1 9.014 0.01 . 1 . . . . . 40 K H . 28092 2 152 . 1 . 1 40 40 LYS CA C 13 57.007 0.3 . 1 . . . . . 40 K CA . 28092 2 153 . 1 . 1 40 40 LYS CB C 13 34.438 0.3 . 1 . . . . . 40 K CB . 28092 2 154 . 1 . 1 40 40 LYS N N 15 123.188 0.2 . 1 . . . . . 40 K N . 28092 2 155 . 1 . 1 41 41 THR H H 1 7.695 0.01 . 1 . . . . . 41 T H . 28092 2 156 . 1 . 1 41 41 THR CA C 13 59.243 0.3 . 1 . . . . . 41 T CA . 28092 2 157 . 1 . 1 41 41 THR CB C 13 72.207 0.3 . 1 . . . . . 41 T CB . 28092 2 158 . 1 . 1 41 41 THR N N 15 108.654 0.2 . 1 . . . . . 41 T N . 28092 2 159 . 1 . 1 42 42 THR H H 1 9.226 0.01 . 1 . . . . . 42 T H . 28092 2 160 . 1 . 1 42 42 THR CA C 13 69.271 0.3 . 1 . . . . . 42 T CA . 28092 2 161 . 1 . 1 42 42 THR CB C 13 67.024 0.3 . 1 . . . . . 42 T CB . 28092 2 162 . 1 . 1 42 42 THR N N 15 118.960 0.2 . 1 . . . . . 42 T N . 28092 2 163 . 1 . 1 43 43 PRO CA C 13 66.157 0.3 . 1 . . . . . 43 P CA . 28092 2 164 . 1 . 1 43 43 PRO CB C 13 30.897 0.3 . 1 . . . . . 43 P CB . 28092 2 165 . 1 . 1 44 44 ASP H H 1 7.212 0.01 . 1 . . . . . 44 D H . 28092 2 166 . 1 . 1 44 44 ASP CA C 13 57.631 0.3 . 1 . . . . . 44 D CA . 28092 2 167 . 1 . 1 44 44 ASP CB C 13 40.497 0.3 . 1 . . . . . 44 D CB . 28092 2 168 . 1 . 1 44 44 ASP N N 15 117.030 0.2 . 1 . . . . . 44 D N . 28092 2 169 . 1 . 1 45 45 ARG H H 1 8.432 0.01 . 1 . . . . . 45 R H . 28092 2 170 . 1 . 1 45 45 ARG HE H 1 7.597 0.01 . 1 . . . . . 45 R HE . 28092 2 171 . 1 . 1 45 45 ARG CA C 13 60.732 0.3 . 1 . . . . . 45 R CA . 28092 2 172 . 1 . 1 45 45 ARG CB C 13 31.220 0.3 . 1 . . . . . 45 R CB . 28092 2 173 . 1 . 1 45 45 ARG N N 15 121.238 0.2 . 1 . . . . . 45 R N . 28092 2 174 . 1 . 1 45 45 ARG NE N 15 84.137 0.2 . 1 . . . . . 45 R NE . 28092 2 175 . 1 . 1 46 46 GLN H H 1 8.443 0.01 . 1 . . . . . 46 Q H . 28092 2 176 . 1 . 1 46 46 GLN HE21 H 1 7.588 0.01 . 2 . . . . . 46 Q HE21 . 28092 2 177 . 1 . 1 46 46 GLN HE22 H 1 6.502 0.01 . 2 . . . . . 46 Q HE22 . 28092 2 178 . 1 . 1 46 46 GLN CA C 13 60.552 0.3 . 1 . . . . . 46 Q CA . 28092 2 179 . 1 . 1 46 46 GLN CB C 13 26.947 0.3 . 1 . . . . . 46 Q CB . 28092 2 180 . 1 . 1 46 46 GLN N N 15 118.286 0.2 . 1 . . . . . 46 Q N . 28092 2 181 . 1 . 1 46 46 GLN NE2 N 15 110.599 0.2 . 1 . . . . . 46 Q NE2 . 28092 2 182 . 1 . 1 47 47 THR H H 1 8.350 0.01 . 1 . . . . . 47 T H . 28092 2 183 . 1 . 1 47 47 THR CA C 13 66.953 0.3 . 1 . . . . . 47 T CA . 28092 2 184 . 1 . 1 47 47 THR CB C 13 68.550 0.3 . 1 . . . . . 47 T CB . 28092 2 185 . 1 . 1 47 47 THR N N 15 117.464 0.2 . 1 . . . . . 47 T N . 28092 2 186 . 1 . 1 48 48 ALA H H 1 8.603 0.01 . 1 . . . . . 48 A H . 28092 2 187 . 1 . 1 48 48 ALA CA C 13 56.565 0.3 . 1 . . . . . 48 A CA . 28092 2 188 . 1 . 1 48 48 ALA CB C 13 17.584 0.3 . 1 . . . . . 48 A CB . 28092 2 189 . 1 . 1 48 48 ALA N N 15 124.513 0.2 . 1 . . . . . 48 A N . 28092 2 190 . 1 . 1 49 49 CYS H H 1 7.941 0.01 . 1 . . . . . 49 C H . 28092 2 191 . 1 . 1 49 49 CYS CA C 13 60.398 0.3 . 1 . . . . . 49 C CA . 28092 2 192 . 1 . 1 49 49 CYS CB C 13 33.933 0.3 . 1 . . . . . 49 C CB . 28092 2 193 . 1 . 1 49 49 CYS N N 15 116.347 0.2 . 1 . . . . . 49 C N . 28092 2 194 . 1 . 1 50 50 ASN H H 1 8.311 0.01 . 1 . . . . . 50 N H . 28092 2 195 . 1 . 1 50 50 ASN HD21 H 1 7.233 0.01 . 2 . . . . . 50 N HD21 . 28092 2 196 . 1 . 1 50 50 ASN CA C 13 56.933 0.3 . 1 . . . . . 50 N CA . 28092 2 197 . 1 . 1 50 50 ASN CB C 13 39.154 0.3 . 1 . . . . . 50 N CB . 28092 2 198 . 1 . 1 50 50 ASN N N 15 120.741 0.2 . 1 . . . . . 50 N N . 28092 2 199 . 1 . 1 50 50 ASN ND2 N 15 115.979 0.2 . 1 . . . . . 50 N ND2 . 28092 2 200 . 1 . 1 51 51 CYS H H 1 9.096 0.01 . 1 . . . . . 51 C H . 28092 2 201 . 1 . 1 51 51 CYS CA C 13 57.404 0.3 . 1 . . . . . 51 C CA . 28092 2 202 . 1 . 1 51 51 CYS CB C 13 36.166 0.3 . 1 . . . . . 51 C CB . 28092 2 203 . 1 . 1 51 51 CYS N N 15 120.701 0.2 . 1 . . . . . 51 C N . 28092 2 204 . 1 . 1 52 52 LEU H H 1 8.301 0.01 . 1 . . . . . 52 L H . 28092 2 205 . 1 . 1 52 52 LEU CA C 13 58.298 0.3 . 1 . . . . . 52 L CA . 28092 2 206 . 1 . 1 52 52 LEU CB C 13 41.569 0.3 . 1 . . . . . 52 L CB . 28092 2 207 . 1 . 1 52 52 LEU N N 15 122.245 0.2 . 1 . . . . . 52 L N . 28092 2 208 . 1 . 1 53 53 LYS H H 1 8.227 0.01 . 1 . . . . . 53 K H . 28092 2 209 . 1 . 1 53 53 LYS CA C 13 61.264 0.3 . 1 . . . . . 53 K CA . 28092 2 210 . 1 . 1 53 53 LYS CB C 13 32.520 0.3 . 1 . . . . . 53 K CB . 28092 2 211 . 1 . 1 53 53 LYS N N 15 119.864 0.2 . 1 . . . . . 53 K N . 28092 2 212 . 1 . 1 54 54 THR H H 1 8.197 0.01 . 1 . . . . . 54 T H . 28092 2 213 . 1 . 1 54 54 THR CA C 13 66.854 0.3 . 1 . . . . . 54 T CA . 28092 2 214 . 1 . 1 54 54 THR CB C 13 68.697 0.3 . 1 . . . . . 54 T CB . 28092 2 215 . 1 . 1 54 54 THR N N 15 114.675 0.2 . 1 . . . . . 54 T N . 28092 2 216 . 1 . 1 55 55 THR H H 1 8.035 0.01 . 1 . . . . . 55 T H . 28092 2 217 . 1 . 1 55 55 THR CA C 13 67.389 0.3 . 1 . . . . . 55 T CA . 28092 2 218 . 1 . 1 55 55 THR CB C 13 68.591 0.3 . 1 . . . . . 55 T CB . 28092 2 219 . 1 . 1 55 55 THR N N 15 120.618 0.2 . 1 . . . . . 55 T N . 28092 2 220 . 1 . 1 56 56 PHE H H 1 8.365 0.01 . 1 . . . . . 56 F H . 28092 2 221 . 1 . 1 56 56 PHE CA C 13 60.584 0.3 . 1 . . . . . 56 F CA . 28092 2 222 . 1 . 1 56 56 PHE CB C 13 38.384 0.3 . 1 . . . . . 56 F CB . 28092 2 223 . 1 . 1 56 56 PHE N N 15 121.645 0.2 . 1 . . . . . 56 F N . 28092 2 224 . 1 . 1 57 57 LYS H H 1 8.314 0.01 . 1 . . . . . 57 K H . 28092 2 225 . 1 . 1 57 57 LYS CA C 13 58.835 0.3 . 1 . . . . . 57 K CA . 28092 2 226 . 1 . 1 57 57 LYS CB C 13 32.633 0.3 . 1 . . . . . 57 K CB . 28092 2 227 . 1 . 1 57 57 LYS N N 15 118.547 0.2 . 1 . . . . . 57 K N . 28092 2 228 . 1 . 1 58 58 SER H H 1 7.675 0.01 . 1 . . . . . 58 S H . 28092 2 229 . 1 . 1 58 58 SER CA C 13 59.615 0.3 . 1 . . . . . 58 S CA . 28092 2 230 . 1 . 1 58 58 SER CB C 13 64.189 0.3 . 1 . . . . . 58 S CB . 28092 2 231 . 1 . 1 58 58 SER N N 15 111.554 0.2 . 1 . . . . . 58 S N . 28092 2 232 . 1 . 1 59 59 ASN H H 1 7.299 0.01 . 1 . . . . . 59 N H . 28092 2 233 . 1 . 1 59 59 ASN HD21 H 1 7.363 0.01 . 2 . . . . . 59 N HD21 . 28092 2 234 . 1 . 1 59 59 ASN HD22 H 1 6.931 0.01 . 2 . . . . . 59 N HD22 . 28092 2 235 . 1 . 1 59 59 ASN CA C 13 52.664 0.3 . 1 . . . . . 59 N CA . 28092 2 236 . 1 . 1 59 59 ASN CB C 13 39.383 0.3 . 1 . . . . . 59 N CB . 28092 2 237 . 1 . 1 59 59 ASN N N 15 120.248 0.2 . 1 . . . . . 59 N N . 28092 2 238 . 1 . 1 59 59 ASN ND2 N 15 113.057 0.2 . 1 . . . . . 59 N ND2 . 28092 2 239 . 1 . 1 60 60 LYS H H 1 8.547 0.01 . 1 . . . . . 60 K H . 28092 2 240 . 1 . 1 60 60 LYS CA C 13 57.915 0.3 . 1 . . . . . 60 K CA . 28092 2 241 . 1 . 1 60 60 LYS CB C 13 31.912 0.3 . 1 . . . . . 60 K CB . 28092 2 242 . 1 . 1 60 60 LYS N N 15 123.121 0.2 . 1 . . . . . 60 K N . 28092 2 243 . 1 . 1 61 61 ASP H H 1 8.493 0.01 . 1 . . . . . 61 D H . 28092 2 244 . 1 . 1 61 61 ASP CA C 13 54.822 0.3 . 1 . . . . . 61 D CA . 28092 2 245 . 1 . 1 61 61 ASP CB C 13 40.569 0.3 . 1 . . . . . 61 D CB . 28092 2 246 . 1 . 1 61 61 ASP N N 15 117.038 0.2 . 1 . . . . . 61 D N . 28092 2 247 . 1 . 1 62 62 PHE H H 1 7.380 0.01 . 1 . . . . . 62 F H . 28092 2 248 . 1 . 1 62 62 PHE CA C 13 55.900 0.3 . 1 . . . . . 62 F CA . 28092 2 249 . 1 . 1 62 62 PHE CB C 13 38.172 0.3 . 1 . . . . . 62 F CB . 28092 2 250 . 1 . 1 62 62 PHE N N 15 118.722 0.2 . 1 . . . . . 62 F N . 28092 2 251 . 1 . 1 63 63 LYS H H 1 8.453 0.01 . 1 . . . . . 63 K H . 28092 2 252 . 1 . 1 63 63 LYS CA C 13 54.426 0.3 . 1 . . . . . 63 K CA . 28092 2 253 . 1 . 1 63 63 LYS CB C 13 32.074 0.3 . 1 . . . . . 63 K CB . 28092 2 254 . 1 . 1 63 63 LYS N N 15 122.097 0.2 . 1 . . . . . 63 K N . 28092 2 255 . 1 . 1 64 64 SER H H 1 9.075 0.01 . 1 . . . . . 64 S H . 28092 2 256 . 1 . 1 64 64 SER CA C 13 61.918 0.3 . 1 . . . . . 64 S CA . 28092 2 257 . 1 . 1 64 64 SER CB C 13 62.748 0.3 . 1 . . . . . 64 S CB . 28092 2 258 . 1 . 1 64 64 SER N N 15 121.975 0.2 . 1 . . . . . 64 S N . 28092 2 259 . 1 . 1 65 65 ASP H H 1 8.998 0.01 . 1 . . . . . 65 D H . 28092 2 260 . 1 . 1 65 65 ASP CA C 13 56.930 0.3 . 1 . . . . . 65 D CA . 28092 2 261 . 1 . 1 65 65 ASP CB C 13 39.605 0.3 . 1 . . . . . 65 D CB . 28092 2 262 . 1 . 1 65 65 ASP N N 15 120.144 0.2 . 1 . . . . . 65 D N . 28092 2 263 . 1 . 1 66 66 PHE H H 1 6.792 0.01 . 1 . . . . . 66 F H . 28092 2 264 . 1 . 1 66 66 PHE CA C 13 57.029 0.3 . 1 . . . . . 66 F CA . 28092 2 265 . 1 . 1 66 66 PHE CB C 13 36.593 0.3 . 1 . . . . . 66 F CB . 28092 2 266 . 1 . 1 66 66 PHE N N 15 118.347 0.2 . 1 . . . . . 66 F N . 28092 2 267 . 1 . 1 67 67 ALA H H 1 7.984 0.01 . 1 . . . . . 67 A H . 28092 2 268 . 1 . 1 67 67 ALA CA C 13 55.612 0.3 . 1 . . . . . 67 A CA . 28092 2 269 . 1 . 1 67 67 ALA CB C 13 18.857 0.3 . 1 . . . . . 67 A CB . 28092 2 270 . 1 . 1 67 67 ALA N N 15 123.215 0.2 . 1 . . . . . 67 A N . 28092 2 271 . 1 . 1 68 68 ALA H H 1 8.138 0.01 . 1 . . . . . 68 A H . 28092 2 272 . 1 . 1 68 68 ALA CA C 13 54.711 0.3 . 1 . . . . . 68 A CA . 28092 2 273 . 1 . 1 68 68 ALA CB C 13 18.573 0.3 . 1 . . . . . 68 A CB . 28092 2 274 . 1 . 1 68 68 ALA N N 15 116.945 0.2 . 1 . . . . . 68 A N . 28092 2 275 . 1 . 1 69 69 SER H H 1 7.531 0.01 . 1 . . . . . 69 S H . 28092 2 276 . 1 . 1 69 69 SER CA C 13 58.626 0.3 . 1 . . . . . 69 S CA . 28092 2 277 . 1 . 1 69 69 SER CB C 13 64.612 0.3 . 1 . . . . . 69 S CB . 28092 2 278 . 1 . 1 69 69 SER N N 15 108.998 0.2 . 1 . . . . . 69 S N . 28092 2 279 . 1 . 1 70 70 LEU H H 1 7.485 0.01 . 1 . . . . . 70 L H . 28092 2 280 . 1 . 1 70 70 LEU CA C 13 59.950 0.3 . 1 . . . . . 70 L CA . 28092 2 281 . 1 . 1 70 70 LEU CB C 13 39.983 0.3 . 1 . . . . . 70 L CB . 28092 2 282 . 1 . 1 70 70 LEU N N 15 122.629 0.2 . 1 . . . . . 70 L N . 28092 2 283 . 1 . 1 71 71 PRO CA C 13 67.737 0.3 . 1 . . . . . 71 P CA . 28092 2 284 . 1 . 1 71 71 PRO CB C 13 31.138 0.3 . 1 . . . . . 71 P CB . 28092 2 285 . 1 . 1 72 72 SER H H 1 7.979 0.01 . 1 . . . . . 72 S H . 28092 2 286 . 1 . 1 72 72 SER CA C 13 61.583 0.3 . 1 . . . . . 72 S CA . 28092 2 287 . 1 . 1 72 72 SER CB C 13 62.599 0.3 . 1 . . . . . 72 S CB . 28092 2 288 . 1 . 1 72 72 SER N N 15 112.459 0.2 . 1 . . . . . 72 S N . 28092 2 289 . 1 . 1 73 73 LYS H H 1 8.413 0.01 . 1 . . . . . 73 K H . 28092 2 290 . 1 . 1 73 73 LYS CA C 13 59.116 0.3 . 1 . . . . . 73 K CA . 28092 2 291 . 1 . 1 73 73 LYS CB C 13 32.537 0.3 . 1 . . . . . 73 K CB . 28092 2 292 . 1 . 1 73 73 LYS N N 15 122.978 0.2 . 1 . . . . . 73 K N . 28092 2 293 . 1 . 1 74 74 CYS H H 1 7.773 0.01 . 1 . . . . . 74 C H . 28092 2 294 . 1 . 1 74 74 CYS CA C 13 52.963 0.3 . 1 . . . . . 74 C CA . 28092 2 295 . 1 . 1 74 74 CYS CB C 13 36.180 0.3 . 1 . . . . . 74 C CB . 28092 2 296 . 1 . 1 74 74 CYS N N 15 113.871 0.2 . 1 . . . . . 74 C N . 28092 2 297 . 1 . 1 75 75 GLY H H 1 7.979 0.01 . 1 . . . . . 75 G H . 28092 2 298 . 1 . 1 75 75 GLY CA C 13 46.864 0.3 . 1 . . . . . 75 G CA . 28092 2 299 . 1 . 1 75 75 GLY N N 15 111.430 0.2 . 1 . . . . . 75 G N . 28092 2 300 . 1 . 1 76 76 VAL H H 1 8.075 0.01 . 1 . . . . . 76 V H . 28092 2 301 . 1 . 1 76 76 VAL CA C 13 60.456 0.3 . 1 . . . . . 76 V CA . 28092 2 302 . 1 . 1 76 76 VAL CB C 13 34.612 0.3 . 1 . . . . . 76 V CB . 28092 2 303 . 1 . 1 76 76 VAL N N 15 118.687 0.2 . 1 . . . . . 76 V N . 28092 2 304 . 1 . 1 77 77 ASN H H 1 8.755 0.01 . 1 . . . . . 77 N H . 28092 2 305 . 1 . 1 77 77 ASN HD21 H 1 7.475 0.01 . 2 . . . . . 77 N HD21 . 28092 2 306 . 1 . 1 77 77 ASN HD22 H 1 6.774 0.01 . 2 . . . . . 77 N HD22 . 28092 2 307 . 1 . 1 77 77 ASN CA C 13 51.992 0.3 . 1 . . . . . 77 N CA . 28092 2 308 . 1 . 1 77 77 ASN CB C 13 37.558 0.3 . 1 . . . . . 77 N CB . 28092 2 309 . 1 . 1 77 77 ASN N N 15 126.548 0.2 . 1 . . . . . 77 N N . 28092 2 310 . 1 . 1 77 77 ASN ND2 N 15 111.891 0.2 . 1 . . . . . 77 N ND2 . 28092 2 311 . 1 . 1 78 78 ILE H H 1 7.489 0.01 . 1 . . . . . 78 I H . 28092 2 312 . 1 . 1 78 78 ILE CA C 13 57.735 0.3 . 1 . . . . . 78 I CA . 28092 2 313 . 1 . 1 78 78 ILE CB C 13 38.882 0.3 . 1 . . . . . 78 I CB . 28092 2 314 . 1 . 1 78 78 ILE N N 15 124.664 0.2 . 1 . . . . . 78 I N . 28092 2 315 . 1 . 1 79 79 PRO CA C 13 64.452 0.3 . 1 . . . . . 79 P CA . 28092 2 316 . 1 . 1 79 79 PRO CB C 13 30.911 0.3 . 1 . . . . . 79 P CB . 28092 2 317 . 1 . 1 80 80 TYR H H 1 6.654 0.01 . 1 . . . . . 80 Y H . 28092 2 318 . 1 . 1 80 80 TYR CA C 13 54.469 0.3 . 1 . . . . . 80 Y CA . 28092 2 319 . 1 . 1 80 80 TYR CB C 13 40.059 0.3 . 1 . . . . . 80 Y CB . 28092 2 320 . 1 . 1 80 80 TYR N N 15 115.807 0.2 . 1 . . . . . 80 Y N . 28092 2 321 . 1 . 1 81 81 LYS H H 1 8.383 0.01 . 1 . . . . . 81 K H . 28092 2 322 . 1 . 1 81 81 LYS CA C 13 55.596 0.3 . 1 . . . . . 81 K CA . 28092 2 323 . 1 . 1 81 81 LYS CB C 13 33.180 0.3 . 1 . . . . . 81 K CB . 28092 2 324 . 1 . 1 81 81 LYS N N 15 119.498 0.2 . 1 . . . . . 81 K N . 28092 2 325 . 1 . 1 82 82 ILE H H 1 9.205 0.01 . 1 . . . . . 82 I H . 28092 2 326 . 1 . 1 82 82 ILE N N 15 129.451 0.2 . 1 . . . . . 82 I N . 28092 2 327 . 1 . 1 83 83 SER H H 1 7.436 0.01 . 1 . . . . . 83 S H . 28092 2 328 . 1 . 1 83 83 SER N N 15 118.676 0.2 . 1 . . . . . 83 S N . 28092 2 329 . 1 . 1 84 84 LEU H H 1 8.668 0.01 . 1 . . . . . 84 L H . 28092 2 330 . 1 . 1 84 84 LEU CA C 13 57.332 0.3 . 1 . . . . . 84 L CA . 28092 2 331 . 1 . 1 84 84 LEU CB C 13 41.729 0.3 . 1 . . . . . 84 L CB . 28092 2 332 . 1 . 1 84 84 LEU N N 15 123.536 0.2 . 1 . . . . . 84 L N . 28092 2 333 . 1 . 1 85 85 GLU H H 1 8.319 0.01 . 1 . . . . . 85 E H . 28092 2 334 . 1 . 1 85 85 GLU CA C 13 56.345 0.3 . 1 . . . . . 85 E CA . 28092 2 335 . 1 . 1 85 85 GLU CB C 13 29.922 0.3 . 1 . . . . . 85 E CB . 28092 2 336 . 1 . 1 85 85 GLU N N 15 115.244 0.2 . 1 . . . . . 85 E N . 28092 2 337 . 1 . 1 86 86 THR H H 1 7.192 0.01 . 1 . . . . . 86 T H . 28092 2 338 . 1 . 1 86 86 THR CA C 13 64.186 0.3 . 1 . . . . . 86 T CA . 28092 2 339 . 1 . 1 86 86 THR CB C 13 70.192 0.3 . 1 . . . . . 86 T CB . 28092 2 340 . 1 . 1 86 86 THR N N 15 118.579 0.2 . 1 . . . . . 86 T N . 28092 2 341 . 1 . 1 87 87 ASP H H 1 8.792 0.01 . 1 . . . . . 87 D H . 28092 2 342 . 1 . 1 87 87 ASP CA C 13 52.266 0.3 . 1 . . . . . 87 D CA . 28092 2 343 . 1 . 1 87 87 ASP CB C 13 39.629 0.3 . 1 . . . . . 87 D CB . 28092 2 344 . 1 . 1 87 87 ASP N N 15 125.702 0.2 . 1 . . . . . 87 D N . 28092 2 345 . 1 . 1 88 88 CYS H H 1 8.643 0.01 . 1 . . . . . 88 C H . 28092 2 346 . 1 . 1 88 88 CYS CA C 13 55.842 0.3 . 1 . . . . . 88 C CA . 28092 2 347 . 1 . 1 88 88 CYS CB C 13 36.590 0.3 . 1 . . . . . 88 C CB . 28092 2 348 . 1 . 1 88 88 CYS N N 15 126.073 0.2 . 1 . . . . . 88 C N . 28092 2 349 . 1 . 1 89 89 ASN H H 1 8.351 0.01 . 1 . . . . . 89 N H . 28092 2 350 . 1 . 1 89 89 ASN HD21 H 1 7.891 0.01 . 2 . . . . . 89 N HD21 . 28092 2 351 . 1 . 1 89 89 ASN HD22 H 1 7.003 0.01 . 2 . . . . . 89 N HD22 . 28092 2 352 . 1 . 1 89 89 ASN CA C 13 54.998 0.3 . 1 . . . . . 89 N CA . 28092 2 353 . 1 . 1 89 89 ASN CB C 13 38.075 0.3 . 1 . . . . . 89 N CB . 28092 2 354 . 1 . 1 89 89 ASN N N 15 115.189 0.2 . 1 . . . . . 89 N N . 28092 2 355 . 1 . 1 89 89 ASN ND2 N 15 114.689 0.2 . 1 . . . . . 89 N ND2 . 28092 2 356 . 1 . 1 90 90 LYS H H 1 7.239 0.01 . 1 . . . . . 90 K H . 28092 2 357 . 1 . 1 90 90 LYS CA C 13 55.422 0.3 . 1 . . . . . 90 K CA . 28092 2 358 . 1 . 1 90 90 LYS CB C 13 32.962 0.3 . 1 . . . . . 90 K CB . 28092 2 359 . 1 . 1 90 90 LYS N N 15 116.293 0.2 . 1 . . . . . 90 K N . 28092 2 360 . 1 . 1 91 91 VAL H H 1 6.941 0.01 . 1 . . . . . 91 V H . 28092 2 361 . 1 . 1 91 91 VAL CA C 13 63.427 0.3 . 1 . . . . . 91 V CA . 28092 2 362 . 1 . 1 91 91 VAL CB C 13 32.801 0.3 . 1 . . . . . 91 V CB . 28092 2 363 . 1 . 1 91 91 VAL N N 15 121.697 0.2 . 1 . . . . . 91 V N . 28092 2 364 . 1 . 1 92 92 LYS H H 1 7.996 0.01 . 1 . . . . . 92 K H . 28092 2 365 . 1 . 1 92 92 LYS CA C 13 57.400 0.3 . 1 . . . . . 92 K CA . 28092 2 366 . 1 . 1 92 92 LYS CB C 13 34.838 0.3 . 1 . . . . . 92 K CB . 28092 2 367 . 1 . 1 92 92 LYS N N 15 130.909 0.2 . 1 . . . . . 92 K N . 28092 2 stop_ save_