data_50977 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50977 _Entry.Title ; Human obscurin Ig12 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2021-06-16 _Entry.Accession_date 2021-06-16 _Entry.Last_release_date 2021-06-16 _Entry.Original_release_date 2021-06-16 _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 Gianna Mauriello . E. . . 50977 2 Nathan Wright . T. . . 50977 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50977 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 272 50977 '15N chemical shifts' 85 50977 '1H chemical shifts' 561 50977 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 . . 2023-03-10 2021-06-16 update BMRB 'update entry citation' 50977 1 . . 2022-10-24 2021-06-16 original author 'original release' 50977 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50976 'Human obscurin Ig13' 50977 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50977 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 36306263 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; The N-terminus of obscurin is flexible in solution ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 91 _Citation.Journal_issue 4 _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 485 _Citation.Page_last 496 _Citation.Year 2023 _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 Gianna Mauriello G. E. . . 50977 1 2 Grace Moncure G. E. . . 50977 1 3 Roujon Nowzari R. A. . . 50977 1 4 Callie Miller C. J. . . 50977 1 5 Nathan Wright N. T. . . 50977 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50977 _Assembly.ID 1 _Assembly.Name 'Human obscurin Ig12' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 11128 _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 'Human obscurin Ig12' 1 $entity_1 . . yes native no no . . . 50977 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50977 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _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 ; MKMMFAKEQSVHNEVQAEAG ASAMLSCEVAQAQTEVTWYK DGKKLSSSSKVGMEVKGCTR RLVLPQAGKADAGEYSCEAG GQRVSFHLHITEPLEHHHHH H ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 . 50977 1 2 . LYS . 50977 1 3 . MET . 50977 1 4 . MET . 50977 1 5 . PHE . 50977 1 6 . ALA . 50977 1 7 . LYS . 50977 1 8 . GLU . 50977 1 9 . GLN . 50977 1 10 . SER . 50977 1 11 . VAL . 50977 1 12 . HIS . 50977 1 13 . ASN . 50977 1 14 . GLU . 50977 1 15 . VAL . 50977 1 16 . GLN . 50977 1 17 . ALA . 50977 1 18 . GLU . 50977 1 19 . ALA . 50977 1 20 . GLY . 50977 1 21 . ALA . 50977 1 22 . SER . 50977 1 23 . ALA . 50977 1 24 . MET . 50977 1 25 . LEU . 50977 1 26 . SER . 50977 1 27 . CYS . 50977 1 28 . GLU . 50977 1 29 . VAL . 50977 1 30 . ALA . 50977 1 31 . GLN . 50977 1 32 . ALA . 50977 1 33 . GLN . 50977 1 34 . THR . 50977 1 35 . GLU . 50977 1 36 . VAL . 50977 1 37 . THR . 50977 1 38 . TRP . 50977 1 39 . TYR . 50977 1 40 . LYS . 50977 1 41 . ASP . 50977 1 42 . GLY . 50977 1 43 . LYS . 50977 1 44 . LYS . 50977 1 45 . LEU . 50977 1 46 . SER . 50977 1 47 . SER . 50977 1 48 . SER . 50977 1 49 . SER . 50977 1 50 . LYS . 50977 1 51 . VAL . 50977 1 52 . GLY . 50977 1 53 . MET . 50977 1 54 . GLU . 50977 1 55 . VAL . 50977 1 56 . LYS . 50977 1 57 . GLY . 50977 1 58 . CYS . 50977 1 59 . THR . 50977 1 60 . ARG . 50977 1 61 . ARG . 50977 1 62 . LEU . 50977 1 63 . VAL . 50977 1 64 . LEU . 50977 1 65 . PRO . 50977 1 66 . GLN . 50977 1 67 . ALA . 50977 1 68 . GLY . 50977 1 69 . LYS . 50977 1 70 . ALA . 50977 1 71 . ASP . 50977 1 72 . ALA . 50977 1 73 . GLY . 50977 1 74 . GLU . 50977 1 75 . TYR . 50977 1 76 . SER . 50977 1 77 . CYS . 50977 1 78 . GLU . 50977 1 79 . ALA . 50977 1 80 . GLY . 50977 1 81 . GLY . 50977 1 82 . GLN . 50977 1 83 . ARG . 50977 1 84 . VAL . 50977 1 85 . SER . 50977 1 86 . PHE . 50977 1 87 . HIS . 50977 1 88 . LEU . 50977 1 89 . HIS . 50977 1 90 . ILE . 50977 1 91 . THR . 50977 1 92 . GLU . 50977 1 93 . PRO . 50977 1 94 . LEU . 50977 1 95 . GLU . 50977 1 96 . HIS . 50977 1 97 . HIS . 50977 1 98 . HIS . 50977 1 99 . HIS . 50977 1 100 . HIS . 50977 1 101 . HIS . 50977 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 50977 1 . LYS 2 2 50977 1 . MET 3 3 50977 1 . MET 4 4 50977 1 . PHE 5 5 50977 1 . ALA 6 6 50977 1 . LYS 7 7 50977 1 . GLU 8 8 50977 1 . GLN 9 9 50977 1 . SER 10 10 50977 1 . VAL 11 11 50977 1 . HIS 12 12 50977 1 . ASN 13 13 50977 1 . GLU 14 14 50977 1 . VAL 15 15 50977 1 . GLN 16 16 50977 1 . ALA 17 17 50977 1 . GLU 18 18 50977 1 . ALA 19 19 50977 1 . GLY 20 20 50977 1 . ALA 21 21 50977 1 . SER 22 22 50977 1 . ALA 23 23 50977 1 . MET 24 24 50977 1 . LEU 25 25 50977 1 . SER 26 26 50977 1 . CYS 27 27 50977 1 . GLU 28 28 50977 1 . VAL 29 29 50977 1 . ALA 30 30 50977 1 . GLN 31 31 50977 1 . ALA 32 32 50977 1 . GLN 33 33 50977 1 . THR 34 34 50977 1 . GLU 35 35 50977 1 . VAL 36 36 50977 1 . THR 37 37 50977 1 . TRP 38 38 50977 1 . TYR 39 39 50977 1 . LYS 40 40 50977 1 . ASP 41 41 50977 1 . GLY 42 42 50977 1 . LYS 43 43 50977 1 . LYS 44 44 50977 1 . LEU 45 45 50977 1 . SER 46 46 50977 1 . SER 47 47 50977 1 . SER 48 48 50977 1 . SER 49 49 50977 1 . LYS 50 50 50977 1 . VAL 51 51 50977 1 . GLY 52 52 50977 1 . MET 53 53 50977 1 . GLU 54 54 50977 1 . VAL 55 55 50977 1 . LYS 56 56 50977 1 . GLY 57 57 50977 1 . CYS 58 58 50977 1 . THR 59 59 50977 1 . ARG 60 60 50977 1 . ARG 61 61 50977 1 . LEU 62 62 50977 1 . VAL 63 63 50977 1 . LEU 64 64 50977 1 . PRO 65 65 50977 1 . GLN 66 66 50977 1 . ALA 67 67 50977 1 . GLY 68 68 50977 1 . LYS 69 69 50977 1 . ALA 70 70 50977 1 . ASP 71 71 50977 1 . ALA 72 72 50977 1 . GLY 73 73 50977 1 . GLU 74 74 50977 1 . TYR 75 75 50977 1 . SER 76 76 50977 1 . CYS 77 77 50977 1 . GLU 78 78 50977 1 . ALA 79 79 50977 1 . GLY 80 80 50977 1 . GLY 81 81 50977 1 . GLN 82 82 50977 1 . ARG 83 83 50977 1 . VAL 84 84 50977 1 . SER 85 85 50977 1 . PHE 86 86 50977 1 . HIS 87 87 50977 1 . LEU 88 88 50977 1 . HIS 89 89 50977 1 . ILE 90 90 50977 1 . THR 91 91 50977 1 . GLU 92 92 50977 1 . PRO 93 93 50977 1 . LEU 94 94 50977 1 . GLU 95 95 50977 1 . HIS 96 96 50977 1 . HIS 97 97 50977 1 . HIS 98 98 50977 1 . HIS 99 99 50977 1 . HIS 100 100 50977 1 . HIS 101 101 50977 1 stop_ save_ #################### # Natural source # #################### save_natural_source_1 _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source_1 _Entity_natural_src_list.Entry_ID 50977 _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 $entity_1 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . 50977 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source_1 _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source_1 _Entity_experimental_src_list.Entry_ID 50977 _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 $entity_1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL-21 (DE3)' . . plasmid . . pET24a . . . 50977 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50977 _Sample.ID 1 _Sample.Name 'Sample A' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Human obscurin Ig12' '[U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 50977 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 50977 1 3 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 50977 1 4 NaN3 'natural abundance' . . . . . . 0.35 . . mM . . . . 50977 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 50977 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Sample A' _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' 0.05 . M 50977 1 pH 7.2 . pH 50977 1 pressure 1 . atm 50977 1 temperature 298 . K 50977 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50977 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50977 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50977 _Software.ID 2 _Software.Type . _Software.Name SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50977 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50977 _Software.ID 3 _Software.Type . _Software.Name 'X-PLOR NIH' _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID refinement . 50977 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 50977 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '600 MHz Bruker' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ ############################# # NMR applied experiments # ############################# save_experiment_list_1 _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list_1 _Experiment_list.Entry_ID 50977 _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 '3D 1H-15N TOCSY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50977 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50977 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50977 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50977 1 5 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50977 1 6 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50977 1 7 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50977 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50977 1 9 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50977 1 10 '1H-15N heteronoe' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50977 1 11 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50977 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 50977 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Human obscurin Ig12' _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 0.0 internal indirect . . . . . . 50977 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1 . . . . . 50977 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect . . . . . . 50977 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 50977 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Human obscurin Ig12' _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 $chem_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 '3D 1H-15N TOCSY' . . . 50977 1 2 '3D CBCA(CO)NH' . . . 50977 1 3 '3D HNCACB' . . . 50977 1 4 '3D HNCO' . . . 50977 1 5 '3D H(CCO)NH' . . . 50977 1 6 '3D C(CO)NH' . . . 50977 1 7 '2D 1H-15N HSQC' . . . 50977 1 8 '3D 1H-15N NOESY' . . . 50977 1 9 '3D 1H-13C NOESY' . . . 50977 1 10 '1H-15N heteronoe' . . . 50977 1 11 '3D HCACO' . . . 50977 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 1 $software_1 . . 50977 1 2 $software_2 . . 50977 1 3 $software_3 . . 50977 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 5.02 0.02 . 1 . . . . . 1 MET HA . 50977 1 2 . 1 . 1 1 1 MET HB2 H 1 1.74 0.02 . . . . . . . 1 MET HB2 . 50977 1 3 . 1 . 1 1 1 MET HB3 H 1 1.96 0.02 . . . . . . . 1 MET HB3 . 50977 1 4 . 1 . 1 1 1 MET HG2 H 1 2.1 0.02 . . . . . . . 1 MET HG2 . 50977 1 5 . 1 . 1 1 1 MET HG3 H 1 2.3 0.02 . . . . . . . 1 MET HG3 . 50977 1 6 . 1 . 1 1 1 MET C C 13 173.0 0.1 . 1 . . . . . 1 MET C . 50977 1 7 . 1 . 1 1 1 MET CA C 13 52.7 0.1 . 1 . . . . . 1 MET CA . 50977 1 8 . 1 . 1 1 1 MET CB C 13 32.2 0.1 . 1 . . . . . 1 MET CB . 50977 1 9 . 1 . 1 2 2 LYS H H 1 9.17 0.02 . 1 . . . . . 2 LYS H . 50977 1 10 . 1 . 1 2 2 LYS HA H 1 4.22 0.02 . 1 . . . . . 2 LYS HA . 50977 1 11 . 1 . 1 2 2 LYS HB2 H 1 1.61 0.02 . . . . . . . 2 LYS HB2 . 50977 1 12 . 1 . 1 2 2 LYS HB3 H 1 1.61 0.02 . . . . . . . 2 LYS HB3 . 50977 1 13 . 1 . 1 2 2 LYS HG2 H 1 1.27 0.02 . . . . . . . 2 LYS HG2 . 50977 1 14 . 1 . 1 2 2 LYS HG3 H 1 1.27 0.02 . . . . . . . 2 LYS HG3 . 50977 1 15 . 1 . 1 2 2 LYS HD2 H 1 1.5 0.1 . 1 . . . . . 2 LYS HD . 50977 1 16 . 1 . 1 2 2 LYS HD3 H 1 1.5 0.1 . 1 . . . . . 2 LYS HD . 50977 1 17 . 1 . 1 2 2 LYS HE2 H 1 2.86 0.02 . . . . . . . 2 LYS HE2 . 50977 1 18 . 1 . 1 2 2 LYS HE3 H 1 2.86 0.02 . . . . . . . 2 LYS HE3 . 50977 1 19 . 1 . 1 2 2 LYS C C 13 173.2 0.1 . 1 . . . . . 2 LYS C . 50977 1 20 . 1 . 1 2 2 LYS CA C 13 53.6 0.1 . 1 . . . . . 2 LYS CA . 50977 1 21 . 1 . 1 2 2 LYS CB C 13 30.9 0.1 . 1 . . . . . 2 LYS CB . 50977 1 22 . 1 . 1 2 2 LYS N N 15 122.4 0.1 . 1 . . . . . 2 LYS N . 50977 1 23 . 1 . 1 3 3 MET H H 1 8.40 0.02 . 1 . . . . . 3 MET H . 50977 1 24 . 1 . 1 3 3 MET HA H 1 4.51 0.02 . 1 . . . . . 3 MET HA . 50977 1 25 . 1 . 1 3 3 MET HB2 H 1 1.91 0.02 . . . . . . . 3 MET HB2 . 50977 1 26 . 1 . 1 3 3 MET HB3 H 1 2.22 0.02 . . . . . . . 3 MET HB3 . 50977 1 27 . 1 . 1 3 3 MET HG2 H 1 2.54 0.02 . . . . . . . 3 MET HG2 . 50977 1 28 . 1 . 1 3 3 MET HG3 H 1 2.63 0.02 . . . . . . . 3 MET HG3 . 50977 1 29 . 1 . 1 3 3 MET C C 13 173.7 0.1 . 1 . . . . . 3 MET C . 50977 1 30 . 1 . 1 3 3 MET CA C 13 53.0 0.1 . 1 . . . . . 3 MET CA . 50977 1 31 . 1 . 1 3 3 MET CB C 13 30.4 0.1 . 1 . . . . . 3 MET CB . 50977 1 32 . 1 . 1 3 3 MET N N 15 123.7 0.1 . 1 . . . . . 3 MET N . 50977 1 33 . 1 . 1 4 4 MET H H 1 8.61 0.02 . 1 . . . . . 4 MET H . 50977 1 34 . 1 . 1 4 4 MET HA H 1 4.36 0.02 . 1 . . . . . 4 MET HA . 50977 1 35 . 1 . 1 4 4 MET HB2 H 1 1.65 0.02 . . . . . . . 4 MET HB2 . 50977 1 36 . 1 . 1 4 4 MET HB3 H 1 1.18 0.02 . . . . . . . 4 MET HB3 . 50977 1 37 . 1 . 1 4 4 MET HG2 H 1 2.18 0.02 . . . . . . . 4 MET HG2 . 50977 1 38 . 1 . 1 4 4 MET HG3 H 1 2.71 0.02 . . . . . . . 4 MET HG3 . 50977 1 39 . 1 . 1 4 4 MET C C 13 175.4 0.1 . 1 . . . . . 4 MET C . 50977 1 40 . 1 . 1 4 4 MET CA C 13 51.9 0.1 . 1 . . . . . 4 MET CA . 50977 1 41 . 1 . 1 4 4 MET CB C 13 29.8 0.1 . 1 . . . . . 4 MET CB . 50977 1 42 . 1 . 1 4 4 MET N N 15 120.6 0.1 . 1 . . . . . 4 MET N . 50977 1 43 . 1 . 1 5 5 PHE H H 1 8.52 0.02 . 1 . . . . . 5 PHE H . 50977 1 44 . 1 . 1 5 5 PHE HA H 1 4.70 0.02 . 1 . . . . . 5 PHE HA . 50977 1 45 . 1 . 1 5 5 PHE HB2 H 1 2.70 0.02 . . . . . . . 5 PHE HB2 . 50977 1 46 . 1 . 1 5 5 PHE HB3 H 1 2.90 0.02 . . . . . . . 5 PHE HB3 . 50977 1 47 . 1 . 1 5 5 PHE C C 13 171.2 0.1 . 1 . . . . . 5 PHE C . 50977 1 48 . 1 . 1 5 5 PHE CA C 13 55.3 0.1 . 1 . . . . . 5 PHE CA . 50977 1 49 . 1 . 1 5 5 PHE CB C 13 37.6 0.1 . 1 . . . . . 5 PHE CB . 50977 1 50 . 1 . 1 5 5 PHE N N 15 119.8 0.1 . 1 . . . . . 5 PHE N . 50977 1 51 . 1 . 1 6 6 ALA H H 1 8.03 0.02 . 1 . . . . . 6 ALA H . 50977 1 52 . 1 . 1 6 6 ALA HA H 1 4.69 0.02 . 1 . . . . . 6 ALA HA . 50977 1 53 . 1 . 1 6 6 ALA HB1 H 1 1.29 0.02 . 1 . . . . . 6 ALA MB . 50977 1 54 . 1 . 1 6 6 ALA HB2 H 1 1.29 0.02 . 1 . . . . . 6 ALA MB . 50977 1 55 . 1 . 1 6 6 ALA HB3 H 1 1.29 0.02 . 1 . . . . . 6 ALA MB . 50977 1 56 . 1 . 1 6 6 ALA C C 13 175.8 0.1 . 1 . . . . . 6 ALA C . 50977 1 57 . 1 . 1 6 6 ALA CA C 13 49.8 0.1 . 1 . . . . . 6 ALA CA . 50977 1 58 . 1 . 1 6 6 ALA CB C 13 16.7 0.1 . 1 . . . . . 6 ALA CB . 50977 1 59 . 1 . 1 6 6 ALA N N 15 122.0 0.1 . 1 . . . . . 6 ALA N . 50977 1 60 . 1 . 1 7 7 LYS H H 1 8.62 0.02 . 1 . . . . . 7 LYS H . 50977 1 61 . 1 . 1 7 7 LYS HA H 1 3.89 0.02 . 1 . . . . . 7 LYS HA . 50977 1 62 . 1 . 1 7 7 LYS HB2 H 1 1.70 0.02 . . . . . . . 7 LYS HB2 . 50977 1 63 . 1 . 1 7 7 LYS HB3 H 1 1.70 0.02 . . . . . . . 7 LYS HB3 . 50977 1 64 . 1 . 1 7 7 LYS HG2 H 1 1.37 0.02 . . . . . . . 7 LYS HG2 . 50977 1 65 . 1 . 1 7 7 LYS HG3 H 1 1.37 0.02 . . . . . . . 7 LYS HG3 . 50977 1 66 . 1 . 1 7 7 LYS HD2 H 1 1.79 0.02 . . . . . . . 7 LYS HD2 . 50977 1 67 . 1 . 1 7 7 LYS HD3 H 1 1.79 0.02 . . . . . . . 7 LYS HD3 . 50977 1 68 . 1 . 1 7 7 LYS HE2 H 1 2.9 0.02 . . . . . . . 7 LYS HE2 . 50977 1 69 . 1 . 1 7 7 LYS HE3 H 1 2.9 0.02 . . . . . . . 7 LYS HE3 . 50977 1 70 . 1 . 1 7 7 LYS C C 13 175.2 0.1 . 1 . . . . . 7 LYS C . 50977 1 71 . 1 . 1 7 7 LYS CA C 13 56.8 0.1 . 1 . . . . . 7 LYS CA . 50977 1 72 . 1 . 1 7 7 LYS CB C 13 29.8 0.1 . 1 . . . . . 7 LYS CB . 50977 1 73 . 1 . 1 7 7 LYS N N 15 123.3 0.1 . 1 . . . . . 7 LYS N . 50977 1 74 . 1 . 1 8 8 GLU H H 1 8.51 0.02 . 1 . . . . . 8 GLU H . 50977 1 75 . 1 . 1 8 8 GLU HA H 1 4.14 0.02 . 1 . . . . . 8 GLU HA . 50977 1 76 . 1 . 1 8 8 GLU HB2 H 1 1.84 0.02 . . . . . . . 8 GLU HB2 . 50977 1 77 . 1 . 1 8 8 GLU HB3 H 1 1.84 0.02 . . . . . . . 8 GLU HB3 . 50977 1 78 . 1 . 1 8 8 GLU HG2 H 1 2.13 0.02 . . . . . . . 8 GLU HG2 . 50977 1 79 . 1 . 1 8 8 GLU HG3 H 1 2.22 0.02 . . . . . . . 8 GLU HG3 . 50977 1 80 . 1 . 1 8 8 GLU C C 13 173.4 0.1 . 1 . . . . . 8 GLU C . 50977 1 81 . 1 . 1 8 8 GLU CA C 13 54.0 0.1 . 1 . . . . . 8 GLU CA . 50977 1 82 . 1 . 1 8 8 GLU CB C 13 25.8 0.1 . 1 . . . . . 8 GLU CB . 50977 1 83 . 1 . 1 8 8 GLU N N 15 114.5 0.1 . 1 . . . . . 8 GLU N . 50977 1 84 . 1 . 1 9 9 GLN H H 1 7.50 0.02 . 1 . . . . . 9 GLN H . 50977 1 85 . 1 . 1 9 9 GLN HA H 1 4.08 0.02 . 1 . . . . . 9 GLN HA . 50977 1 86 . 1 . 1 9 9 GLN HB2 H 1 2.14 0.02 . . . . . . . 9 GLN HB2 . 50977 1 87 . 1 . 1 9 9 GLN HB3 H 1 2.14 0.02 . . . . . . . 9 GLN HB3 . 50977 1 88 . 1 . 1 9 9 GLN HG2 H 1 2.28 0.02 . . . . . . . 9 GLN HG2 . 50977 1 89 . 1 . 1 9 9 GLN HG3 H 1 2.28 0.02 . . . . . . . 9 GLN HG3 . 50977 1 90 . 1 . 1 9 9 GLN C C 13 172.8 0.1 . 1 . . . . . 9 GLN C . 50977 1 91 . 1 . 1 9 9 GLN CA C 13 52.4 0.1 . 1 . . . . . 9 GLN CA . 50977 1 92 . 1 . 1 9 9 GLN CB C 13 27.2 0.1 . 1 . . . . . 9 GLN CB . 50977 1 93 . 1 . 1 9 9 GLN N N 15 120.6 0.1 . 1 . . . . . 9 GLN N . 50977 1 94 . 1 . 1 10 10 SER H H 1 8.81 0.01 . 1 . . . . . 10 SER H . 50977 1 95 . 1 . 1 10 10 SER HA H 1 3.86 0.02 . 1 . . . . . 10 SER HA . 50977 1 96 . 1 . 1 10 10 SER HB2 H 1 4.45 0.02 . . . . . . . 10 SER HB2 . 50977 1 97 . 1 . 1 10 10 SER HB3 H 1 4.45 0.02 . . . . . . . 10 SER HB3 . 50977 1 98 . 1 . 1 10 10 SER C C 13 174.2 0.1 . 1 . . . . . 10 SER C . 50977 1 99 . 1 . 1 10 10 SER CA C 13 56.0 0.1 . 1 . . . . . 10 SER CA . 50977 1 100 . 1 . 1 10 10 SER CB C 13 60.3 0.1 . 1 . . . . . 10 SER CB . 50977 1 101 . 1 . 1 10 10 SER N N 15 126.4 0.1 . 1 . . . . . 10 SER N . 50977 1 102 . 1 . 1 11 11 VAL H H 1 8.56 0.02 . 1 . . . . . 11 VAL H . 50977 1 103 . 1 . 1 11 11 VAL HA H 1 3.80 0.02 . 1 . . . . . 11 VAL HA . 50977 1 104 . 1 . 1 11 11 VAL HB H 1 2.14 0.02 . 1 . . . . . 11 VAL HB . 50977 1 105 . 1 . 1 11 11 VAL HG11 H 1 0.86 0.02 . . . . . . . 11 VAL MG1 . 50977 1 106 . 1 . 1 11 11 VAL HG12 H 1 0.86 0.02 . . . . . . . 11 VAL MG1 . 50977 1 107 . 1 . 1 11 11 VAL HG13 H 1 0.86 0.02 . . . . . . . 11 VAL MG1 . 50977 1 108 . 1 . 1 11 11 VAL HG21 H 1 0.86 0.02 . . . . . . . 11 VAL MG2 . 50977 1 109 . 1 . 1 11 11 VAL HG22 H 1 0.86 0.02 . . . . . . . 11 VAL MG2 . 50977 1 110 . 1 . 1 11 11 VAL HG23 H 1 0.86 0.02 . . . . . . . 11 VAL MG2 . 50977 1 111 . 1 . 1 11 11 VAL C C 13 171.6 0.1 . 1 . . . . . 11 VAL C . 50977 1 112 . 1 . 1 11 11 VAL CA C 13 62.0 0.1 . 1 . . . . . 11 VAL CA . 50977 1 113 . 1 . 1 11 11 VAL CB C 13 29.1 0.1 . 1 . . . . . 11 VAL CB . 50977 1 114 . 1 . 1 11 11 VAL N N 15 124.2 0.1 . 1 . . . . . 11 VAL N . 50977 1 115 . 1 . 1 12 12 HIS H H 1 7.51 0.02 . 1 . . . . . 12 HIS H . 50977 1 116 . 1 . 1 12 12 HIS HA H 1 4.87 0.02 . 1 . . . . . 12 HIS HA . 50977 1 117 . 1 . 1 12 12 HIS HB2 H 1 2.77 0.02 . . . . . . . 12 HIS HB2 . 50977 1 118 . 1 . 1 12 12 HIS HB3 H 1 2.77 0.02 . . . . . . . 12 HIS HB3 . 50977 1 119 . 1 . 1 12 12 HIS C C 13 172.0 0.1 . 1 . . . . . 12 HIS C . 50977 1 120 . 1 . 1 12 12 HIS CA C 13 53.5 0.1 . 1 . . . . . 12 HIS CA . 50977 1 121 . 1 . 1 12 12 HIS CB C 13 30.2 0.1 . 1 . . . . . 12 HIS CB . 50977 1 122 . 1 . 1 12 12 HIS N N 15 119.4 0.1 . 1 . . . . . 12 HIS N . 50977 1 123 . 1 . 1 13 13 ASN H H 1 7.18 0.02 . 1 . . . . . 13 ASN H . 50977 1 124 . 1 . 1 13 13 ASN HA H 1 4.85 0.02 . 1 . . . . . 13 ASN HA . 50977 1 125 . 1 . 1 13 13 ASN HB2 H 1 2.36 0.02 . . . . . . . 13 ASN HB2 . 50977 1 126 . 1 . 1 13 13 ASN HB3 H 1 2.36 0.02 . . . . . . . 13 ASN HB3 . 50977 1 127 . 1 . 1 13 13 ASN C C 13 170.3 0.1 . 1 . . . . . 13 ASN C . 50977 1 128 . 1 . 1 13 13 ASN CA C 13 50.1 0.1 . 1 . . . . . 13 ASN CA . 50977 1 129 . 1 . 1 13 13 ASN CB C 13 40.9 0.1 . 1 . . . . . 13 ASN CB . 50977 1 130 . 1 . 1 13 13 ASN N N 15 122.7 0.1 . 1 . . . . . 13 ASN N . 50977 1 131 . 1 . 1 14 14 GLU H H 1 9.03 0.02 . 1 . . . . . 14 GLU H . 50977 1 132 . 1 . 1 14 14 GLU HA H 1 5.00 0.02 . 1 . . . . . 14 GLU HA . 50977 1 133 . 1 . 1 14 14 GLU HB2 H 1 1.98 0.02 . . . . . . . 14 GLU HB2 . 50977 1 134 . 1 . 1 14 14 GLU HB3 H 1 2.15 0.02 . . . . . . . 14 GLU HB3 . 50977 1 135 . 1 . 1 14 14 GLU HG2 H 1 2.30 0.02 . . . . . . . 14 GLU HG2 . 50977 1 136 . 1 . 1 14 14 GLU HG3 H 1 2.30 0.02 . . . . . . . 14 GLU HG3 . 50977 1 137 . 1 . 1 14 14 GLU C C 13 172.7 0.1 . 1 . . . . . 14 GLU C . 50977 1 138 . 1 . 1 14 14 GLU CA C 13 53.3 0.1 . 1 . . . . . 14 GLU CA . 50977 1 139 . 1 . 1 14 14 GLU CB C 13 28.7 0.1 . 1 . . . . . 14 GLU CB . 50977 1 140 . 1 . 1 14 14 GLU N N 15 124.5 0.1 . 1 . . . . . 14 GLU N . 50977 1 141 . 1 . 1 15 15 VAL H H 1 9.04 0.02 . 1 . . . . . 15 VAL H . 50977 1 142 . 1 . 1 15 15 VAL HA H 1 4.42 0.02 . 1 . . . . . 15 VAL HA . 50977 1 143 . 1 . 1 15 15 VAL HB H 1 1.72 0.02 . 1 . . . . . 15 VAL HB . 50977 1 144 . 1 . 1 15 15 VAL HG11 H 1 0.87 0.02 . . . . . . . 15 VAL MG1 . 50977 1 145 . 1 . 1 15 15 VAL HG12 H 1 0.87 0.02 . . . . . . . 15 VAL MG1 . 50977 1 146 . 1 . 1 15 15 VAL HG13 H 1 0.87 0.02 . . . . . . . 15 VAL MG1 . 50977 1 147 . 1 . 1 15 15 VAL HG21 H 1 1.00 0.02 . . . . . . . 15 VAL MG2 . 50977 1 148 . 1 . 1 15 15 VAL HG22 H 1 1.00 0.02 . . . . . . . 15 VAL MG2 . 50977 1 149 . 1 . 1 15 15 VAL HG23 H 1 1.00 0.02 . . . . . . . 15 VAL MG2 . 50977 1 150 . 1 . 1 15 15 VAL C C 13 170.8 0.1 . 1 . . . . . 15 VAL C . 50977 1 151 . 1 . 1 15 15 VAL CA C 13 58.7 0.1 . 1 . . . . . 15 VAL CA . 50977 1 152 . 1 . 1 15 15 VAL CB C 13 33.1 0.1 . 1 . . . . . 15 VAL CB . 50977 1 153 . 1 . 1 15 15 VAL N N 15 125.8 0.1 . 1 . . . . . 15 VAL N . 50977 1 154 . 1 . 1 16 16 GLN H H 1 8.63 0.02 . 1 . . . . . 16 GLN H . 50977 1 155 . 1 . 1 16 16 GLN HA H 1 5.50 0.02 . 1 . . . . . 16 GLN HA . 50977 1 156 . 1 . 1 16 16 GLN HB2 H 1 1.94 0.02 . . . . . . . 16 GLN HB2 . 50977 1 157 . 1 . 1 16 16 GLN HB3 H 1 1.94 0.02 . . . . . . . 16 GLN HB3 . 50977 1 158 . 1 . 1 16 16 GLN HG2 H 1 2.21 0.02 . . . . . . . 16 GLN HG2 . 50977 1 159 . 1 . 1 16 16 GLN HG3 H 1 2.21 0.02 . . . . . . . 16 GLN HG3 . 50977 1 160 . 1 . 1 16 16 GLN C C 13 172.0 0.1 . 1 . . . . . 16 GLN C . 50977 1 161 . 1 . 1 16 16 GLN CA C 13 51.5 0.1 . 1 . . . . . 16 GLN CA . 50977 1 162 . 1 . 1 16 16 GLN CB C 13 28.9 0.1 . 1 . . . . . 16 GLN CB . 50977 1 163 . 1 . 1 16 16 GLN N N 15 125.6 0.1 . 1 . . . . . 16 GLN N . 50977 1 164 . 1 . 1 17 17 ALA H H 1 8.63 0.02 . 1 . . . . . 17 ALA H . 50977 1 165 . 1 . 1 17 17 ALA HA H 1 4.50 0.02 . 1 . . . . . 17 ALA HA . 50977 1 166 . 1 . 1 17 17 ALA HB1 H 1 1.10 0.02 . 1 . . . . . 17 ALA MB . 50977 1 167 . 1 . 1 17 17 ALA HB2 H 1 1.10 0.02 . 1 . . . . . 17 ALA MB . 50977 1 168 . 1 . 1 17 17 ALA HB3 H 1 1.10 0.02 . 1 . . . . . 17 ALA MB . 50977 1 169 . 1 . 1 17 17 ALA C C 13 172.0 0.1 . 1 . . . . . 17 ALA C . 50977 1 170 . 1 . 1 17 17 ALA CA C 13 48.2 0.1 . 1 . . . . . 17 ALA CA . 50977 1 171 . 1 . 1 17 17 ALA CB C 13 19.7 0.1 . 1 . . . . . 17 ALA CB . 50977 1 172 . 1 . 1 17 17 ALA N N 15 125.6 0.1 . 1 . . . . . 17 ALA N . 50977 1 173 . 1 . 1 18 18 GLU H H 1 8.24 0.02 . 1 . . . . . 18 GLU H . 50977 1 174 . 1 . 1 18 18 GLU HA H 1 4.51 0.02 . 1 . . . . . 18 GLU HA . 50977 1 175 . 1 . 1 18 18 GLU HB2 H 1 1.73 0.02 . . . . . . . 18 GLU HB2 . 50977 1 176 . 1 . 1 18 18 GLU HB3 H 1 1.73 0.02 . . . . . . . 18 GLU HB3 . 50977 1 177 . 1 . 1 18 18 GLU HG2 H 1 2.10 0.02 . . . . . . . 18 GLU HG2 . 50977 1 178 . 1 . 1 18 18 GLU HG3 H 1 2.10 0.02 . . . . . . . 18 GLU HG3 . 50977 1 179 . 1 . 1 18 18 GLU C C 13 173.3 0.1 . 1 . . . . . 18 GLU C . 50977 1 180 . 1 . 1 18 18 GLU CA C 13 52.5 0.1 . 1 . . . . . 18 GLU CA . 50977 1 181 . 1 . 1 18 18 GLU CB C 13 28.9 0.1 . 1 . . . . . 18 GLU CB . 50977 1 182 . 1 . 1 18 18 GLU N N 15 121.1 0.1 . 1 . . . . . 18 GLU N . 50977 1 183 . 1 . 1 19 19 ALA H H 1 8.39 0.02 . 1 . . . . . 19 ALA H . 50977 1 184 . 1 . 1 19 19 ALA HA H 1 3.80 0.02 . 1 . . . . . 19 ALA HA . 50977 1 185 . 1 . 1 19 19 ALA HB1 H 1 1.23 0.02 . 1 . . . . . 19 ALA MB . 50977 1 186 . 1 . 1 19 19 ALA HB2 H 1 1.23 0.02 . 1 . . . . . 19 ALA MB . 50977 1 187 . 1 . 1 19 19 ALA HB3 H 1 1.23 0.02 . 1 . . . . . 19 ALA MB . 50977 1 188 . 1 . 1 19 19 ALA C C 13 175.9 0.1 . 1 . . . . . 19 ALA C . 50977 1 189 . 1 . 1 19 19 ALA CA C 13 50.9 0.1 . 1 . . . . . 19 ALA CA . 50977 1 190 . 1 . 1 19 19 ALA CB C 13 15.3 0.1 . 1 . . . . . 19 ALA CB . 50977 1 191 . 1 . 1 19 19 ALA N N 15 124.8 0.1 . 1 . . . . . 19 ALA N . 50977 1 192 . 1 . 1 20 20 GLY H H 1 9.41 0.02 . 1 . . . . . 20 GLY H . 50977 1 193 . 1 . 1 20 20 GLY HA2 H 1 4.27 0.02 . . . . . . . 20 GLY HA2 . 50977 1 194 . 1 . 1 20 20 GLY HA3 H 1 3.30 0.02 . . . . . . . 20 GLY HA3 . 50977 1 195 . 1 . 1 20 20 GLY C C 13 170.7 0.1 . 1 . . . . . 20 GLY C . 50977 1 196 . 1 . 1 20 20 GLY CA C 13 42.3 0.1 . 1 . . . . . 20 GLY CA . 50977 1 197 . 1 . 1 20 20 GLY N N 15 112.6 0.1 . 1 . . . . . 20 GLY N . 50977 1 198 . 1 . 1 21 21 ALA H H 1 8.11 0.02 . 1 . . . . . 21 ALA H . 50977 1 199 . 1 . 1 21 21 ALA HA H 1 4.56 0.02 . 1 . . . . . 21 ALA HA . 50977 1 200 . 1 . 1 21 21 ALA HB1 H 1 1.47 0.02 . 1 . . . . . 21 ALA MB . 50977 1 201 . 1 . 1 21 21 ALA HB2 H 1 1.47 0.02 . 1 . . . . . 21 ALA MB . 50977 1 202 . 1 . 1 21 21 ALA HB3 H 1 1.47 0.02 . 1 . . . . . 21 ALA MB . 50977 1 203 . 1 . 1 21 21 ALA C C 13 173.3 0.1 . 1 . . . . . 21 ALA C . 50977 1 204 . 1 . 1 21 21 ALA CA C 13 48.2 0.1 . 1 . . . . . 21 ALA CA . 50977 1 205 . 1 . 1 21 21 ALA CB C 13 18.1 0.1 . 1 . . . . . 21 ALA CB . 50977 1 206 . 1 . 1 21 21 ALA N N 15 125.0 0.1 . 1 . . . . . 21 ALA N . 50977 1 207 . 1 . 1 22 22 SER H H 1 8.01 0.02 . 1 . . . . . 22 SER H . 50977 1 208 . 1 . 1 22 22 SER HA H 1 4.78 0.02 . 1 . . . . . 22 SER HA . 50977 1 209 . 1 . 1 22 22 SER HB2 H 1 3.61 0.02 . . . . . . . 22 SER HB2 . 50977 1 210 . 1 . 1 22 22 SER HB3 H 1 3.61 0.02 . . . . . . . 22 SER HB3 . 50977 1 211 . 1 . 1 22 22 SER C C 13 171.5 0.1 . 1 . . . . . 22 SER C . 50977 1 212 . 1 . 1 22 22 SER CA C 13 54.7 0.1 . 1 . . . . . 22 SER CA . 50977 1 213 . 1 . 1 22 22 SER CB C 13 61.2 0.1 . 1 . . . . . 22 SER CB . 50977 1 214 . 1 . 1 22 22 SER N N 15 113.1 0.1 . 1 . . . . . 22 SER N . 50977 1 215 . 1 . 1 23 23 ALA H H 1 8.49 0.02 . 1 . . . . . 23 ALA H . 50977 1 216 . 1 . 1 23 23 ALA HA H 1 4.49 0.02 . 1 . . . . . 23 ALA HA . 50977 1 217 . 1 . 1 23 23 ALA HB1 H 1 0.88 0.02 . 1 . . . . . 23 ALA MB . 50977 1 218 . 1 . 1 23 23 ALA HB2 H 1 0.88 0.02 . 1 . . . . . 23 ALA MB . 50977 1 219 . 1 . 1 23 23 ALA HB3 H 1 0.88 0.02 . 1 . . . . . 23 ALA MB . 50977 1 220 . 1 . 1 23 23 ALA C C 13 172.1 0.1 . 1 . . . . . 23 ALA C . 50977 1 221 . 1 . 1 23 23 ALA CA C 13 47.8 0.1 . 1 . . . . . 23 ALA CA . 50977 1 222 . 1 . 1 23 23 ALA CB C 13 19.4 0.1 . 1 . . . . . 23 ALA CB . 50977 1 223 . 1 . 1 23 23 ALA N N 15 126.3 0.1 . 1 . . . . . 23 ALA N . 50977 1 224 . 1 . 1 24 24 MET H H 1 8.07 0.02 . 1 . . . . . 24 MET H . 50977 1 225 . 1 . 1 24 24 MET HA H 1 5.05 0.02 . 1 . . . . . 24 MET HA . 50977 1 226 . 1 . 1 24 24 MET HB2 H 1 1.67 0.02 . . . . . . . 24 MET HB2 . 50977 1 227 . 1 . 1 24 24 MET HB3 H 1 1.67 0.02 . . . . . . . 24 MET HB3 . 50977 1 228 . 1 . 1 24 24 MET HG2 H 1 2.13 0.02 . . . . . . . 24 MET HG2 . 50977 1 229 . 1 . 1 24 24 MET HG3 H 1 2.13 0.02 . . . . . . . 24 MET HG3 . 50977 1 230 . 1 . 1 24 24 MET HE1 H 1 2.05 0.02 . 1 . . . . . 24 MET ME . 50977 1 231 . 1 . 1 24 24 MET HE2 H 1 2.05 0.02 . 1 . . . . . 24 MET ME . 50977 1 232 . 1 . 1 24 24 MET HE3 H 1 2.05 0.02 . 1 . . . . . 24 MET ME . 50977 1 233 . 1 . 1 24 24 MET C C 13 171.0 0.1 . 1 . . . . . 24 MET C . 50977 1 234 . 1 . 1 24 24 MET CA C 13 51.5 0.1 . 1 . . . . . 24 MET CA . 50977 1 235 . 1 . 1 24 24 MET CB C 13 33.3 0.1 . 1 . . . . . 24 MET CB . 50977 1 236 . 1 . 1 24 24 MET N N 15 119.0 0.1 . 1 . . . . . 24 MET N . 50977 1 237 . 1 . 1 25 25 LEU H H 1 8.57 0.02 . 1 . . . . . 25 LEU H . 50977 1 238 . 1 . 1 25 25 LEU HA H 1 4.24 0.02 . 1 . . . . . 25 LEU HA . 50977 1 239 . 1 . 1 25 25 LEU HB2 H 1 0.81 0.02 . . . . . . . 25 LEU HB2 . 50977 1 240 . 1 . 1 25 25 LEU HB3 H 1 0.89 0.02 . . . . . . . 25 LEU HB3 . 50977 1 241 . 1 . 1 25 25 LEU HG H 1 0.23 0.02 . 1 . . . . . 25 LEU HG . 50977 1 242 . 1 . 1 25 25 LEU HD11 H 1 -0.12 0.02 . . . . . . . 25 LEU MD1 . 50977 1 243 . 1 . 1 25 25 LEU HD12 H 1 -0.12 0.02 . . . . . . . 25 LEU MD1 . 50977 1 244 . 1 . 1 25 25 LEU HD13 H 1 -0.12 0.02 . . . . . . . 25 LEU MD1 . 50977 1 245 . 1 . 1 25 25 LEU HD21 H 1 -0.31 0.02 . . . . . . . 25 LEU MD2 . 50977 1 246 . 1 . 1 25 25 LEU HD22 H 1 -0.31 0.02 . . . . . . . 25 LEU MD2 . 50977 1 247 . 1 . 1 25 25 LEU HD23 H 1 -0.31 0.02 . . . . . . . 25 LEU MD2 . 50977 1 248 . 1 . 1 25 25 LEU C C 13 172.3 0.1 . 1 . . . . . 25 LEU C . 50977 1 249 . 1 . 1 25 25 LEU CA C 13 50.3 0.1 . 1 . . . . . 25 LEU CA . 50977 1 250 . 1 . 1 25 25 LEU CB C 13 38.4 0.1 . 1 . . . . . 25 LEU CB . 50977 1 251 . 1 . 1 25 25 LEU N N 15 125.1 0.1 . 1 . . . . . 25 LEU N . 50977 1 252 . 1 . 1 26 26 SER H H 1 8.26 0.02 . 1 . . . . . 26 SER H . 50977 1 253 . 1 . 1 26 26 SER HA H 1 5.62 0.02 . 1 . . . . . 26 SER HA . 50977 1 254 . 1 . 1 26 26 SER HB2 H 1 3.44 0.02 . . . . . . . 26 SER HB2 . 50977 1 255 . 1 . 1 26 26 SER HB3 H 1 3.72 0.02 . . . . . . . 26 SER HB3 . 50977 1 256 . 1 . 1 26 26 SER C C 13 170.2 0.1 . 1 . . . . . 26 SER C . 50977 1 257 . 1 . 1 26 26 SER CA C 13 54.3 0.1 . 1 . . . . . 26 SER CA . 50977 1 258 . 1 . 1 26 26 SER CB C 13 63.2 0.1 . 1 . . . . . 26 SER CB . 50977 1 259 . 1 . 1 26 26 SER N N 15 116.2 0.1 . 1 . . . . . 26 SER N . 50977 1 260 . 1 . 1 27 27 CYS H H 1 9.41 0.02 . 1 . . . . . 27 CYS H . 50977 1 261 . 1 . 1 27 27 CYS HA H 1 5.17 0.02 . 1 . . . . . 27 CYS HA . 50977 1 262 . 1 . 1 27 27 CYS HB2 H 1 2.40 0.02 . . . . . . . 27 CYS HB2 . 50977 1 263 . 1 . 1 27 27 CYS HB3 H 1 3.21 0.02 . . . . . . . 27 CYS HB3 . 50977 1 264 . 1 . 1 27 27 CYS C C 13 180.8 0.1 . 1 . . . . . 27 CYS C . 50977 1 265 . 1 . 1 27 27 CYS CA C 13 53.6 0.1 . 1 . . . . . 27 CYS CA . 50977 1 266 . 1 . 1 27 27 CYS CB C 13 29.3 0.1 . 1 . . . . . 27 CYS CB . 50977 1 267 . 1 . 1 27 27 CYS N N 15 119.4 0.1 . 1 . . . . . 27 CYS N . 50977 1 268 . 1 . 1 28 28 GLU H H 1 8.23 0.02 . 1 . . . . . 28 GLU H . 50977 1 269 . 1 . 1 28 28 GLU HA H 1 5.35 0.02 . 1 . . . . . 28 GLU HA . 50977 1 270 . 1 . 1 28 28 GLU HB2 H 1 1.77 0.02 . . . . . . . 28 GLU HB2 . 50977 1 271 . 1 . 1 28 28 GLU HB3 H 1 1.90 0.02 . . . . . . . 28 GLU HB3 . 50977 1 272 . 1 . 1 28 28 GLU HG2 H 1 2.14 0.02 . . . . . . . 28 GLU HG2 . 50977 1 273 . 1 . 1 28 28 GLU HG3 H 1 2.14 0.02 . . . . . . . 28 GLU HG3 . 50977 1 274 . 1 . 1 28 28 GLU C C 13 175.4 0.1 . 1 . . . . . 28 GLU C . 50977 1 275 . 1 . 1 28 28 GLU CA C 13 51.4 0.1 . 1 . . . . . 28 GLU CA . 50977 1 276 . 1 . 1 28 28 GLU CB C 13 30.6 0.1 . 1 . . . . . 28 GLU CB . 50977 1 277 . 1 . 1 28 28 GLU N N 15 120.0 0.1 . 1 . . . . . 28 GLU N . 50977 1 278 . 1 . 1 29 29 VAL H H 1 9.00 0.02 . 1 . . . . . 29 VAL H . 50977 1 279 . 1 . 1 29 29 VAL HA H 1 4.60 0.02 . 1 . . . . . 29 VAL HA . 50977 1 280 . 1 . 1 29 29 VAL HB H 1 2.06 0.02 . 1 . . . . . 29 VAL HB . 50977 1 281 . 1 . 1 29 29 VAL HG11 H 1 0.77 0.02 . . . . . . . 29 VAL MG1 . 50977 1 282 . 1 . 1 29 29 VAL HG12 H 1 0.77 0.02 . . . . . . . 29 VAL MG1 . 50977 1 283 . 1 . 1 29 29 VAL HG13 H 1 0.77 0.02 . . . . . . . 29 VAL MG1 . 50977 1 284 . 1 . 1 29 29 VAL HG21 H 1 0.49 0.02 . . . . . . . 29 VAL MG2 . 50977 1 285 . 1 . 1 29 29 VAL HG22 H 1 0.49 0.02 . . . . . . . 29 VAL MG2 . 50977 1 286 . 1 . 1 29 29 VAL HG23 H 1 0.49 0.02 . . . . . . . 29 VAL MG2 . 50977 1 287 . 1 . 1 29 29 VAL C C 13 172.7 0.1 . 1 . . . . . 29 VAL C . 50977 1 288 . 1 . 1 29 29 VAL CA C 13 57.7 0.1 . 1 . . . . . 29 VAL CA . 50977 1 289 . 1 . 1 29 29 VAL CB C 13 31.1 0.1 . 1 . . . . . 29 VAL CB . 50977 1 290 . 1 . 1 29 29 VAL N N 15 116.6 0.1 . 1 . . . . . 29 VAL N . 50977 1 291 . 1 . 1 30 30 ALA H H 1 7.75 0.02 . 1 . . . . . 30 ALA H . 50977 1 292 . 1 . 1 30 30 ALA HA H 1 3.89 0.02 . 1 . . . . . 30 ALA HA . 50977 1 293 . 1 . 1 30 30 ALA HB1 H 1 1.09 0.02 . 1 . . . . . 30 ALA MB . 50977 1 294 . 1 . 1 30 30 ALA HB2 H 1 1.09 0.02 . 1 . . . . . 30 ALA MB . 50977 1 295 . 1 . 1 30 30 ALA HB3 H 1 1.09 0.02 . 1 . . . . . 30 ALA MB . 50977 1 296 . 1 . 1 30 30 ALA C C 13 174.5 0.1 . 1 . . . . . 30 ALA C . 50977 1 297 . 1 . 1 30 30 ALA CA C 13 51.6 0.1 . 1 . . . . . 30 ALA CA . 50977 1 298 . 1 . 1 30 30 ALA CB C 13 16.1 0.1 . 1 . . . . . 30 ALA CB . 50977 1 299 . 1 . 1 30 30 ALA N N 15 120.9 0.1 . 1 . . . . . 30 ALA N . 50977 1 300 . 1 . 1 31 31 GLN H H 1 7.56 0.02 . 1 . . . . . 31 GLN H . 50977 1 301 . 1 . 1 31 31 GLN HA H 1 4.42 0.02 . 1 . . . . . 31 GLN HA . 50977 1 302 . 1 . 1 31 31 GLN HB2 H 1 1.69 0.02 . . . . . . . 31 GLN HB2 . 50977 1 303 . 1 . 1 31 31 GLN HB3 H 1 1.69 0.02 . . . . . . . 31 GLN HB3 . 50977 1 304 . 1 . 1 31 31 GLN HG2 H 1 2.18 0.02 . . . . . . . 31 GLN HG2 . 50977 1 305 . 1 . 1 31 31 GLN HG3 H 1 2.18 0.02 . . . . . . . 31 GLN HG3 . 50977 1 306 . 1 . 1 31 31 GLN C C 13 173.0 0.1 . 1 . . . . . 31 GLN C . 50977 1 307 . 1 . 1 31 31 GLN CA C 13 51.9 0.1 . 1 . . . . . 31 GLN CA . 50977 1 308 . 1 . 1 31 31 GLN CB C 13 28.6 0.1 . 1 . . . . . 31 GLN CB . 50977 1 309 . 1 . 1 31 31 GLN N N 15 114.5 0.1 . 1 . . . . . 31 GLN N . 50977 1 310 . 1 . 1 32 32 ALA HA H 1 3.67 0.02 . 1 . . . . . 32 ALA HA . 50977 1 311 . 1 . 1 32 32 ALA HB1 H 1 1.22 0.02 . 1 . . . . . 32 ALA MB . 50977 1 312 . 1 . 1 32 32 ALA HB2 H 1 1.22 0.02 . 1 . . . . . 32 ALA MB . 50977 1 313 . 1 . 1 32 32 ALA HB3 H 1 1.22 0.02 . 1 . . . . . 32 ALA MB . 50977 1 314 . 1 . 1 32 32 ALA C C 13 175.8 0.1 . 1 . . . . . 32 ALA C . 50977 1 315 . 1 . 1 32 32 ALA CA C 13 53.2 0.1 . 1 . . . . . 32 ALA CA . 50977 1 316 . 1 . 1 32 32 ALA CB C 13 16.0 0.1 . 1 . . . . . 32 ALA CB . 50977 1 317 . 1 . 1 33 33 GLN H H 1 8.24 0.02 . 1 . . . . . 33 GLN H . 50977 1 318 . 1 . 1 33 33 GLN HA H 1 4.14 0.02 . 1 . . . . . 33 GLN HA . 50977 1 319 . 1 . 1 33 33 GLN HB2 H 1 2.01 0.02 . . . . . . . 33 GLN HB2 . 50977 1 320 . 1 . 1 33 33 GLN HB3 H 1 2.01 0.02 . . . . . . . 33 GLN HB3 . 50977 1 321 . 1 . 1 33 33 GLN HG2 H 1 2.26 0.02 . . . . . . . 33 GLN HG2 . 50977 1 322 . 1 . 1 33 33 GLN HG3 H 1 2.26 0.02 . . . . . . . 33 GLN HG3 . 50977 1 323 . 1 . 1 33 33 GLN C C 13 172.9 0.1 . 1 . . . . . 33 GLN C . 50977 1 324 . 1 . 1 33 33 GLN CA C 13 54.0 0.1 . 1 . . . . . 33 GLN CA . 50977 1 325 . 1 . 1 33 33 GLN CB C 13 25.2 0.1 . 1 . . . . . 33 GLN CB . 50977 1 326 . 1 . 1 33 33 GLN N N 15 113.7 0.1 . 1 . . . . . 33 GLN N . 50977 1 327 . 1 . 1 34 34 THR H H 1 7.42 0.02 . 1 . . . . . 34 THR H . 50977 1 328 . 1 . 1 34 34 THR HA H 1 3.78 0.02 . 1 . . . . . 34 THR HA . 50977 1 329 . 1 . 1 34 34 THR HB H 1 3.67 0.02 . 1 . . . . . 34 THR HB . 50977 1 330 . 1 . 1 34 34 THR HG21 H 1 0.80 0.1 . 1 . . . . . 34 THR MG . 50977 1 331 . 1 . 1 34 34 THR HG22 H 1 0.80 0.1 . 1 . . . . . 34 THR MG . 50977 1 332 . 1 . 1 34 34 THR HG23 H 1 0.80 0.1 . 1 . . . . . 34 THR MG . 50977 1 333 . 1 . 1 34 34 THR C C 13 170.6 0.1 . 1 . . . . . 34 THR C . 50977 1 334 . 1 . 1 34 34 THR CA C 13 62.1 0.1 . 1 . . . . . 34 THR CA . 50977 1 335 . 1 . 1 34 34 THR CB C 13 66.8 0.1 . 1 . . . . . 34 THR CB . 50977 1 336 . 1 . 1 34 34 THR N N 15 118.7 0.1 . 1 . . . . . 34 THR N . 50977 1 337 . 1 . 1 35 35 GLU H H 1 8.72 0.02 . 1 . . . . . 35 GLU H . 50977 1 338 . 1 . 1 35 35 GLU HA H 1 4.51 0.02 . 1 . . . . . 35 GLU HA . 50977 1 339 . 1 . 1 35 35 GLU HB2 H 1 1.93 0.02 . . . . . . . 35 GLU HB2 . 50977 1 340 . 1 . 1 35 35 GLU HB3 H 1 1.93 0.02 . . . . . . . 35 GLU HB3 . 50977 1 341 . 1 . 1 35 35 GLU HG2 H 1 2.14 0.02 . . . . . . . 35 GLU HG2 . 50977 1 342 . 1 . 1 35 35 GLU HG3 H 1 2.89 0.02 . . . . . . . 35 GLU HG3 . 50977 1 343 . 1 . 1 35 35 GLU C C 13 173.4 0.1 . 1 . . . . . 35 GLU C . 50977 1 344 . 1 . 1 35 35 GLU CA C 13 52.7 0.1 . 1 . . . . . 35 GLU CA . 50977 1 345 . 1 . 1 35 35 GLU CB C 13 27.9 0.1 . 1 . . . . . 35 GLU CB . 50977 1 346 . 1 . 1 35 35 GLU N N 15 130.1 0.1 . 1 . . . . . 35 GLU N . 50977 1 347 . 1 . 1 36 36 VAL H H 1 8.54 0.02 . 1 . . . . . 36 VAL H . 50977 1 348 . 1 . 1 36 36 VAL HA H 1 5.12 0.02 . 1 . . . . . 36 VAL HA . 50977 1 349 . 1 . 1 36 36 VAL HB H 1 2.02 0.02 . 1 . . . . . 36 VAL HB . 50977 1 350 . 1 . 1 36 36 VAL HG11 H 1 0.43 0.02 . . . . . . . 36 VAL MG1 . 50977 1 351 . 1 . 1 36 36 VAL HG12 H 1 0.43 0.02 . . . . . . . 36 VAL MG1 . 50977 1 352 . 1 . 1 36 36 VAL HG13 H 1 0.43 0.02 . . . . . . . 36 VAL MG1 . 50977 1 353 . 1 . 1 36 36 VAL HG21 H 1 0.43 0.02 . . . . . . . 36 VAL MG2 . 50977 1 354 . 1 . 1 36 36 VAL HG22 H 1 0.43 0.02 . . . . . . . 36 VAL MG2 . 50977 1 355 . 1 . 1 36 36 VAL HG23 H 1 0.43 0.02 . . . . . . . 36 VAL MG2 . 50977 1 356 . 1 . 1 36 36 VAL C C 13 173.0 0.1 . 1 . . . . . 36 VAL C . 50977 1 357 . 1 . 1 36 36 VAL CA C 13 55.7 0.1 . 1 . . . . . 36 VAL CA . 50977 1 358 . 1 . 1 36 36 VAL CB C 13 31.0 0.1 . 1 . . . . . 36 VAL CB . 50977 1 359 . 1 . 1 36 36 VAL N N 15 117.2 0.1 . 1 . . . . . 36 VAL N . 50977 1 360 . 1 . 1 37 37 THR H H 1 8.73 0.02 . 1 . . . . . 37 THR H . 50977 1 361 . 1 . 1 37 37 THR HA H 1 3.86 0.02 . 1 . . . . . 37 THR HA . 50977 1 362 . 1 . 1 37 37 THR HB H 1 4.42 0.02 . 1 . . . . . 37 THR HB . 50977 1 363 . 1 . 1 37 37 THR HG21 H 1 0.92 0.1 . 1 . . . . . 37 THR MG . 50977 1 364 . 1 . 1 37 37 THR HG22 H 1 0.92 0.1 . 1 . . . . . 37 THR MG . 50977 1 365 . 1 . 1 37 37 THR HG23 H 1 0.92 0.1 . 1 . . . . . 37 THR MG . 50977 1 366 . 1 . 1 37 37 THR C C 13 169.6 0.1 . 1 . . . . . 37 THR C . 50977 1 367 . 1 . 1 37 37 THR CA C 13 59.6 0.1 . 1 . . . . . 37 THR CA . 50977 1 368 . 1 . 1 37 37 THR CB C 13 69.0 0.1 . 1 . . . . . 37 THR CB . 50977 1 369 . 1 . 1 37 37 THR N N 15 117.9 0.1 . 1 . . . . . 37 THR N . 50977 1 370 . 1 . 1 38 38 TRP H H 1 9.04 0.02 . 1 . . . . . 38 TRP H . 50977 1 371 . 1 . 1 38 38 TRP HA H 1 5.61 0.02 . 1 . . . . . 38 TRP HA . 50977 1 372 . 1 . 1 38 38 TRP HB2 H 1 2.84 0.02 . . . . . . . 38 TRP HB2 . 50977 1 373 . 1 . 1 38 38 TRP HB3 H 1 3.06 0.02 . . . . . . . 38 TRP HB3 . 50977 1 374 . 1 . 1 38 38 TRP C C 13 172.6 0.1 . 1 . . . . . 38 TRP C . 50977 1 375 . 1 . 1 38 38 TRP CA C 13 53.9 0.1 . 1 . . . . . 38 TRP CA . 50977 1 376 . 1 . 1 38 38 TRP CB C 13 29.8 0.1 . 1 . . . . . 38 TRP CB . 50977 1 377 . 1 . 1 38 38 TRP N N 15 126.3 0.1 . 1 . . . . . 38 TRP N . 50977 1 378 . 1 . 1 39 39 TYR H H 1 9.47 0.02 . 1 . . . . . 39 TYR H . 50977 1 379 . 1 . 1 39 39 TYR HA H 1 5.10 0.02 . 1 . . . . . 39 TYR HA . 50977 1 380 . 1 . 1 39 39 TYR HB2 H 1 2.87 0.02 . . . . . . . 39 TYR HB2 . 50977 1 381 . 1 . 1 39 39 TYR HB3 H 1 2.34 0.02 . . . . . . . 39 TYR HB3 . 50977 1 382 . 1 . 1 39 39 TYR HD1 H 1 6.61 0.02 . . . . . . . 39 TYR HD1 . 50977 1 383 . 1 . 1 39 39 TYR HD2 H 1 6.61 0.02 . . . . . . . 39 TYR HD2 . 50977 1 384 . 1 . 1 39 39 TYR C C 13 172.9 0.1 . 1 . . . . . 39 TYR C . 50977 1 385 . 1 . 1 39 39 TYR CA C 13 54.1 0.1 . 1 . . . . . 39 TYR CA . 50977 1 386 . 1 . 1 39 39 TYR CB C 13 40.6 0.1 . 1 . . . . . 39 TYR CB . 50977 1 387 . 1 . 1 39 39 TYR N N 15 119.0 0.1 . 1 . . . . . 39 TYR N . 50977 1 388 . 1 . 1 40 40 LYS H H 1 8.78 0.02 . 1 . . . . . 40 LYS H . 50977 1 389 . 1 . 1 40 40 LYS HA H 1 4.52 0.02 . 1 . . . . . 40 LYS HA . 50977 1 390 . 1 . 1 40 40 LYS HB2 H 1 1.28 0.02 . . . . . . . 40 LYS HB2 . 50977 1 391 . 1 . 1 40 40 LYS HB3 H 1 1.28 0.02 . . . . . . . 40 LYS HB3 . 50977 1 392 . 1 . 1 40 40 LYS HG2 H 1 0.72 0.02 . . . . . . . 40 LYS HG2 . 50977 1 393 . 1 . 1 40 40 LYS HG3 H 1 0.72 0.02 . . . . . . . 40 LYS HG3 . 50977 1 394 . 1 . 1 40 40 LYS HD2 H 1 1.52 0.02 . . . . . . . 40 LYS HD2 . 50977 1 395 . 1 . 1 40 40 LYS HD3 H 1 1.52 0.02 . . . . . . . 40 LYS HD3 . 50977 1 396 . 1 . 1 40 40 LYS C C 13 174.2 0.1 . 1 . . . . . 40 LYS C . 50977 1 397 . 1 . 1 40 40 LYS CA C 13 52.9 0.1 . 1 . . . . . 40 LYS CA . 50977 1 398 . 1 . 1 40 40 LYS CB C 13 33.4 0.1 . 1 . . . . . 40 LYS CB . 50977 1 399 . 1 . 1 40 40 LYS N N 15 119.0 0.1 . 1 . . . . . 40 LYS N . 50977 1 400 . 1 . 1 41 41 ASP H H 1 9.58 0.02 . 1 . . . . . 41 ASP H . 50977 1 401 . 1 . 1 41 41 ASP HA H 1 4.28 0.02 . 1 . . . . . 41 ASP HA . 50977 1 402 . 1 . 1 41 41 ASP HB2 H 1 2.54 0.02 . . . . . . . 41 ASP HB2 . 50977 1 403 . 1 . 1 41 41 ASP HB3 H 1 2.83 0.02 . . . . . . . 41 ASP HB3 . 50977 1 404 . 1 . 1 41 41 ASP C C 13 173.3 0.1 . 1 . . . . . 41 ASP C . 50977 1 405 . 1 . 1 41 41 ASP CA C 13 53.4 0.1 . 1 . . . . . 41 ASP CA . 50977 1 406 . 1 . 1 41 41 ASP CB C 13 37.5 0.1 . 1 . . . . . 41 ASP CB . 50977 1 407 . 1 . 1 41 41 ASP N N 15 130.1 0.1 . 1 . . . . . 41 ASP N . 50977 1 408 . 1 . 1 42 42 GLY H H 1 8.47 0.02 . 1 . . . . . 42 GLY H . 50977 1 409 . 1 . 1 42 42 GLY HA2 H 1 3.45 0.02 . . . . . . . 42 GLY HA2 . 50977 1 410 . 1 . 1 42 42 GLY HA3 H 1 4.04 0.02 . . . . . . . 42 GLY HA3 . 50977 1 411 . 1 . 1 42 42 GLY C C 13 171.2 0.1 . 1 . . . . . 42 GLY C . 50977 1 412 . 1 . 1 42 42 GLY CA C 13 42.8 0.1 . 1 . . . . . 42 GLY CA . 50977 1 413 . 1 . 1 42 42 GLY N N 15 102.5 0.1 . 1 . . . . . 42 GLY N . 50977 1 414 . 1 . 1 43 43 LYS H H 1 8.09 0.02 . 1 . . . . . 43 LYS H . 50977 1 415 . 1 . 1 43 43 LYS HA H 1 4.69 0.02 . 1 . . . . . 43 LYS HA . 50977 1 416 . 1 . 1 43 43 LYS HB2 H 1 1.64 0.02 . . . . . . . 43 LYS HB2 . 50977 1 417 . 1 . 1 43 43 LYS HB3 H 1 1.64 0.02 . . . . . . . 43 LYS HB3 . 50977 1 418 . 1 . 1 43 43 LYS HG2 H 1 1.38 0.02 . . . . . . . 43 LYS HG2 . 50977 1 419 . 1 . 1 43 43 LYS HG3 H 1 1.38 0.02 . . . . . . . 43 LYS HG3 . 50977 1 420 . 1 . 1 43 43 LYS HD2 H 1 1.83 0.02 . . . . . . . 43 LYS HD2 . 50977 1 421 . 1 . 1 43 43 LYS HD3 H 1 1.83 0.02 . . . . . . . 43 LYS HD3 . 50977 1 422 . 1 . 1 43 43 LYS HE2 H 1 2.95 0.02 . . . . . . . 43 LYS HE2 . 50977 1 423 . 1 . 1 43 43 LYS HE3 H 1 2.95 0.02 . . . . . . . 43 LYS HE3 . 50977 1 424 . 1 . 1 43 43 LYS C C 13 172.8 0.1 . 1 . . . . . 43 LYS C . 50977 1 425 . 1 . 1 43 43 LYS CA C 13 52.1 0.1 . 1 . . . . . 43 LYS CA . 50977 1 426 . 1 . 1 43 43 LYS CB C 13 31.3 0.1 . 1 . . . . . 43 LYS CB . 50977 1 427 . 1 . 1 43 43 LYS N N 15 122.1 0.1 . 1 . . . . . 43 LYS N . 50977 1 428 . 1 . 1 44 44 LYS H H 1 8.71 0.02 . 1 . . . . . 44 LYS H . 50977 1 429 . 1 . 1 44 44 LYS HA H 1 3.54 0.02 . 1 . . . . . 44 LYS HA . 50977 1 430 . 1 . 1 44 44 LYS HB2 H 1 1.47 0.02 . . . . . . . 44 LYS HB2 . 50977 1 431 . 1 . 1 44 44 LYS HB3 H 1 1.47 0.02 . . . . . . . 44 LYS HB3 . 50977 1 432 . 1 . 1 44 44 LYS HG2 H 1 0.99 0.02 . . . . . . . 44 LYS HG2 . 50977 1 433 . 1 . 1 44 44 LYS HG3 H 1 0.99 0.02 . . . . . . . 44 LYS HG3 . 50977 1 434 . 1 . 1 44 44 LYS HD2 H 1 1.47 0.02 . . . . . . . 44 LYS HD2 . 50977 1 435 . 1 . 1 44 44 LYS HD3 H 1 1.47 0.02 . . . . . . . 44 LYS HD3 . 50977 1 436 . 1 . 1 44 44 LYS HE2 H 1 2.87 0.02 . . . . . . . 44 LYS HE2 . 50977 1 437 . 1 . 1 44 44 LYS HE3 H 1 2.87 0.02 . . . . . . . 44 LYS HE3 . 50977 1 438 . 1 . 1 44 44 LYS C C 13 174.3 0.1 . 1 . . . . . 44 LYS C . 50977 1 439 . 1 . 1 44 44 LYS CA C 13 55.2 0.1 . 1 . . . . . 44 LYS CA . 50977 1 440 . 1 . 1 44 44 LYS CB C 13 30.1 0.1 . 1 . . . . . 44 LYS CB . 50977 1 441 . 1 . 1 44 44 LYS N N 15 126.4 0.1 . 1 . . . . . 44 LYS N . 50977 1 442 . 1 . 1 45 45 LEU H H 1 8.63 0.02 . 1 . . . . . 45 LEU H . 50977 1 443 . 1 . 1 45 45 LEU HA H 1 4.51 0.02 . 1 . . . . . 45 LEU HA . 50977 1 444 . 1 . 1 45 45 LEU HB2 H 1 1.43 0.02 . . . . . . . 45 LEU HB2 . 50977 1 445 . 1 . 1 45 45 LEU HB3 H 1 1.43 0.02 . . . . . . . 45 LEU HB3 . 50977 1 446 . 1 . 1 45 45 LEU HG H 1 1.12 0.02 . 1 . . . . . 45 LEU HG . 50977 1 447 . 1 . 1 45 45 LEU HD11 H 1 0.85 0.02 . . . . . . . 45 LEU MD1 . 50977 1 448 . 1 . 1 45 45 LEU HD12 H 1 0.85 0.02 . . . . . . . 45 LEU MD1 . 50977 1 449 . 1 . 1 45 45 LEU HD13 H 1 0.85 0.02 . . . . . . . 45 LEU MD1 . 50977 1 450 . 1 . 1 45 45 LEU HD21 H 1 0.85 0.02 . . . . . . . 45 LEU MD2 . 50977 1 451 . 1 . 1 45 45 LEU HD22 H 1 0.85 0.02 . . . . . . . 45 LEU MD2 . 50977 1 452 . 1 . 1 45 45 LEU HD23 H 1 0.85 0.02 . . . . . . . 45 LEU MD2 . 50977 1 453 . 1 . 1 45 45 LEU C C 13 173.6 0.1 . 1 . . . . . 45 LEU C . 50977 1 454 . 1 . 1 45 45 LEU CA C 13 51.5 0.1 . 1 . . . . . 45 LEU CA . 50977 1 455 . 1 . 1 45 45 LEU CB C 13 41.5 0.1 . 1 . . . . . 45 LEU CB . 50977 1 456 . 1 . 1 45 45 LEU N N 15 128.0 0.1 . 1 . . . . . 45 LEU N . 50977 1 457 . 1 . 1 46 46 SER H H 1 8.10 0.02 . 1 . . . . . 46 SER H . 50977 1 458 . 1 . 1 46 46 SER HA H 1 3.70 0.02 . 1 . . . . . 46 SER HA . 50977 1 459 . 1 . 1 46 46 SER HB2 H 1 4.70 0.02 . . . . . . . 46 SER HB2 . 50977 1 460 . 1 . 1 46 46 SER HB3 H 1 4.70 0.02 . . . . . . . 46 SER HB3 . 50977 1 461 . 1 . 1 46 46 SER C C 13 170.6 0.1 . 1 . . . . . 46 SER C . 50977 1 462 . 1 . 1 46 46 SER CA C 13 54.3 0.1 . 1 . . . . . 46 SER CA . 50977 1 463 . 1 . 1 46 46 SER CB C 13 62.7 0.1 . 1 . . . . . 46 SER CB . 50977 1 464 . 1 . 1 46 46 SER N N 15 116.2 0.1 . 1 . . . . . 46 SER N . 50977 1 465 . 1 . 1 47 47 SER HA H 1 3.95 0.02 . 1 . . . . . 47 SER HA . 50977 1 466 . 1 . 1 47 47 SER HB2 H 1 4.02 0.02 . . . . . . . 47 SER HB2 . 50977 1 467 . 1 . 1 47 47 SER HB3 H 1 4.02 0.02 . . . . . . . 47 SER HB3 . 50977 1 468 . 1 . 1 47 47 SER C C 13 171.8 0.1 . 1 . . . . . 47 SER C . 50977 1 469 . 1 . 1 47 47 SER CA C 13 56.7 0.1 . 1 . . . . . 47 SER CA . 50977 1 470 . 1 . 1 47 47 SER CB C 13 61.2 0.1 . 1 . . . . . 47 SER CB . 50977 1 471 . 1 . 1 48 48 SER H H 1 9.28 0.02 . 1 . . . . . 48 SER H . 50977 1 472 . 1 . 1 48 48 SER HA H 1 4.66 0.02 . 1 . . . . . 48 SER HA . 50977 1 473 . 1 . 1 48 48 SER HB2 H 1 4.66 0.02 . . . . . . . 48 SER HB2 . 50977 1 474 . 1 . 1 48 48 SER HB3 H 1 4.66 0.02 . . . . . . . 48 SER HB3 . 50977 1 475 . 1 . 1 48 48 SER C C 13 172.0 0.1 . 1 . . . . . 48 SER C . 50977 1 476 . 1 . 1 48 48 SER CA C 13 55.2 0.1 . 1 . . . . . 48 SER CA . 50977 1 477 . 1 . 1 48 48 SER CB C 13 63.0 0.1 . 1 . . . . . 48 SER CB . 50977 1 478 . 1 . 1 48 48 SER N N 15 119 0.1 . 1 . . . . . 48 SER N . 50977 1 479 . 1 . 1 49 49 SER CA C 13 58.3 0.1 . 1 . . . . . 49 SER CA . 50977 1 480 . 1 . 1 49 49 SER CB C 13 60.2 0.1 . 1 . . . . . 49 SER CB . 50977 1 481 . 1 . 1 50 50 LYS H H 1 7.91 0.02 . 1 . . . . . 50 LYS H . 50977 1 482 . 1 . 1 50 50 LYS HA H 1 4.22 0.02 . 1 . . . . . 50 LYS HA . 50977 1 483 . 1 . 1 50 50 LYS HB2 H 1 1.84 0.02 . . . . . . . 50 LYS HB2 . 50977 1 484 . 1 . 1 50 50 LYS HB3 H 1 1.84 0.02 . . . . . . . 50 LYS HB3 . 50977 1 485 . 1 . 1 50 50 LYS HG2 H 1 1.32 0.02 . . . . . . . 50 LYS HG2 . 50977 1 486 . 1 . 1 50 50 LYS HG3 H 1 1.32 0.02 . . . . . . . 50 LYS HG3 . 50977 1 487 . 1 . 1 50 50 LYS HD2 H 1 1.52 0.02 . . . . . . . 50 LYS HD2 . 50977 1 488 . 1 . 1 50 50 LYS HD3 H 1 1.52 0.02 . . . . . . . 50 LYS HD3 . 50977 1 489 . 1 . 1 50 50 LYS HE2 H 1 2.87 0.02 . . . . . . . 50 LYS HE2 . 50977 1 490 . 1 . 1 50 50 LYS HE3 H 1 2.87 0.02 . . . . . . . 50 LYS HE3 . 50977 1 491 . 1 . 1 50 50 LYS C C 13 172.5 0.1 . 1 . . . . . 50 LYS C . 50977 1 492 . 1 . 1 50 50 LYS CA C 13 53.6 0.1 . 1 . . . . . 50 LYS CA . 50977 1 493 . 1 . 1 50 50 LYS CB C 13 31.0 0.1 . 1 . . . . . 50 LYS CB . 50977 1 494 . 1 . 1 50 50 LYS N N 15 118.7 0.1 . 1 . . . . . 50 LYS N . 50977 1 495 . 1 . 1 51 51 VAL H H 1 6.99 0.02 . 1 . . . . . 51 VAL H . 50977 1 496 . 1 . 1 51 51 VAL HA H 1 4.40 0.02 . 1 . . . . . 51 VAL HA . 50977 1 497 . 1 . 1 51 51 VAL HB H 1 1.99 0.02 . 1 . . . . . 51 VAL HB . 50977 1 498 . 1 . 1 51 51 VAL HG11 H 1 0.66 0.02 . . . . . . . 51 VAL MG1 . 50977 1 499 . 1 . 1 51 51 VAL HG12 H 1 0.66 0.02 . . . . . . . 51 VAL MG1 . 50977 1 500 . 1 . 1 51 51 VAL HG13 H 1 0.66 0.02 . . . . . . . 51 VAL MG1 . 50977 1 501 . 1 . 1 51 51 VAL HG21 H 1 0.66 0.02 . . . . . . . 51 VAL MG2 . 50977 1 502 . 1 . 1 51 51 VAL HG22 H 1 0.66 0.02 . . . . . . . 51 VAL MG2 . 50977 1 503 . 1 . 1 51 51 VAL HG23 H 1 0.66 0.02 . . . . . . . 51 VAL MG2 . 50977 1 504 . 1 . 1 51 51 VAL C C 13 170.9 0.1 . 1 . . . . . 51 VAL C . 50977 1 505 . 1 . 1 51 51 VAL CA C 13 58.6 0.1 . 1 . . . . . 51 VAL CA . 50977 1 506 . 1 . 1 51 51 VAL CB C 13 31.6 0.1 . 1 . . . . . 51 VAL CB . 50977 1 507 . 1 . 1 51 51 VAL N N 15 118.3 0.1 . 1 . . . . . 51 VAL N . 50977 1 508 . 1 . 1 52 52 GLY H H 1 8.99 0.02 . 1 . . . . . 52 GLY H . 50977 1 509 . 1 . 1 52 52 GLY HA2 H 1 4.53 0.02 . . . . . . . 52 GLY HA2 . 50977 1 510 . 1 . 1 52 52 GLY HA3 H 1 3.45 0.02 . . . . . . . 52 GLY HA3 . 50977 1 511 . 1 . 1 52 52 GLY C C 13 169.8 0.1 . 1 . . . . . 52 GLY C . 50977 1 512 . 1 . 1 52 52 GLY CA C 13 41.5 0.1 . 1 . . . . . 52 GLY CA . 50977 1 513 . 1 . 1 52 52 GLY N N 15 113.8 0.1 . 1 . . . . . 52 GLY N . 50977 1 514 . 1 . 1 53 53 MET H H 1 8.24 0.02 . 1 . . . . . 53 MET H . 50977 1 515 . 1 . 1 53 53 MET HA H 1 5.04 0.02 . 1 . . . . . 53 MET HA . 50977 1 516 . 1 . 1 53 53 MET HB2 H 1 1.77 0.02 . . . . . . . 53 MET HB2 . 50977 1 517 . 1 . 1 53 53 MET HB3 H 1 1.77 0.02 . . . . . . . 53 MET HB3 . 50977 1 518 . 1 . 1 53 53 MET HG2 H 1 2.08 0.02 . . . . . . . 53 MET HG2 . 50977 1 519 . 1 . 1 53 53 MET HG3 H 1 2.08 0.02 . . . . . . . 53 MET HG3 . 50977 1 520 . 1 . 1 53 53 MET CA C 13 52.8 0.1 . 1 . . . . . 53 MET CA . 50977 1 521 . 1 . 1 53 53 MET CB C 13 28.9 0.1 . 1 . . . . . 53 MET CB . 50977 1 522 . 1 . 1 53 53 MET N N 15 121.1 0.1 . 1 . . . . . 53 MET N . 50977 1 523 . 1 . 1 54 54 GLU H H 1 9.26 0.02 . 1 . . . . . 54 GLU H . 50977 1 524 . 1 . 1 54 54 GLU HA H 1 4.64 0.02 . 1 . . . . . 54 GLU HA . 50977 1 525 . 1 . 1 54 54 GLU HB2 H 1 1.66 0.02 . . . . . . . 54 GLU HB2 . 50977 1 526 . 1 . 1 54 54 GLU HB3 H 1 1.79 0.02 . . . . . . . 54 GLU HB3 . 50977 1 527 . 1 . 1 54 54 GLU HG2 H 1 1.94 0.02 . . . . . . . 54 GLU HG2 . 50977 1 528 . 1 . 1 54 54 GLU HG3 H 1 1.94 0.02 . . . . . . . 54 GLU HG3 . 50977 1 529 . 1 . 1 54 54 GLU C C 13 173.1 0.1 . 1 . . . . . 54 GLU C . 50977 1 530 . 1 . 1 54 54 GLU CA C 13 52.5 0.1 . 1 . . . . . 54 GLU CA . 50977 1 531 . 1 . 1 54 54 GLU CB C 13 31.0 0.1 . 1 . . . . . 54 GLU CB . 50977 1 532 . 1 . 1 54 54 GLU N N 15 129.8 0.1 . 1 . . . . . 54 GLU N . 50977 1 533 . 1 . 1 55 55 VAL H H 1 8.57 0.02 . 1 . . . . . 55 VAL H . 50977 1 534 . 1 . 1 55 55 VAL HA H 1 4.32 0.02 . 1 . . . . . 55 VAL HA . 50977 1 535 . 1 . 1 55 55 VAL HB H 1 1.94 0.02 . 1 . . . . . 55 VAL HB . 50977 1 536 . 1 . 1 55 55 VAL HG11 H 1 0.86 0.02 . . . . . . . 55 VAL MG1 . 50977 1 537 . 1 . 1 55 55 VAL HG12 H 1 0.86 0.02 . . . . . . . 55 VAL MG1 . 50977 1 538 . 1 . 1 55 55 VAL HG13 H 1 0.86 0.02 . . . . . . . 55 VAL MG1 . 50977 1 539 . 1 . 1 55 55 VAL HG21 H 1 0.86 0.02 . . . . . . . 55 VAL MG2 . 50977 1 540 . 1 . 1 55 55 VAL HG22 H 1 0.86 0.02 . . . . . . . 55 VAL MG2 . 50977 1 541 . 1 . 1 55 55 VAL HG23 H 1 0.86 0.02 . . . . . . . 55 VAL MG2 . 50977 1 542 . 1 . 1 55 55 VAL C C 13 172.3 0.1 . 1 . . . . . 55 VAL C . 50977 1 543 . 1 . 1 55 55 VAL CA C 13 59.1 0.1 . 1 . . . . . 55 VAL CA . 50977 1 544 . 1 . 1 55 55 VAL CB C 13 31.9 0.1 . 1 . . . . . 55 VAL CB . 50977 1 545 . 1 . 1 55 55 VAL N N 15 124.6 0.1 . 1 . . . . . 55 VAL N . 50977 1 546 . 1 . 1 56 56 LYS H H 1 7.97 0.02 . 1 . . . . . 56 LYS H . 50977 1 547 . 1 . 1 56 56 LYS HA H 1 4.49 0.02 . 1 . . . . . 56 LYS HA . 50977 1 548 . 1 . 1 56 56 LYS HB2 H 1 1.67 0.02 . . . . . . . 56 LYS HB2 . 50977 1 549 . 1 . 1 56 56 LYS HB3 H 1 1.67 0.02 . . . . . . . 56 LYS HB3 . 50977 1 550 . 1 . 1 56 56 LYS HG2 H 1 1.23 0.02 . . . . . . . 56 LYS HG2 . 50977 1 551 . 1 . 1 56 56 LYS HG3 H 1 1.23 0.02 . . . . . . . 56 LYS HG3 . 50977 1 552 . 1 . 1 56 56 LYS HD2 H 1 1.53 0.02 . . . . . . . 56 LYS HD2 . 50977 1 553 . 1 . 1 56 56 LYS HD3 H 1 1.53 0.02 . . . . . . . 56 LYS HD3 . 50977 1 554 . 1 . 1 56 56 LYS HE2 H 1 2.87 0.02 . . . . . . . 56 LYS HE2 . 50977 1 555 . 1 . 1 56 56 LYS HE3 H 1 2.87 0.02 . . . . . . . 56 LYS HE3 . 50977 1 556 . 1 . 1 56 56 LYS C C 13 173.1 0.1 . 1 . . . . . 56 LYS C . 50977 1 557 . 1 . 1 56 56 LYS CA C 13 52.8 0.1 . 1 . . . . . 56 LYS CA . 50977 1 558 . 1 . 1 56 56 LYS CB C 13 31.4 0.1 . 1 . . . . . 56 LYS CB . 50977 1 559 . 1 . 1 56 56 LYS N N 15 127.3 0.1 . 1 . . . . . 56 LYS N . 50977 1 560 . 1 . 1 58 58 CYS HA H 1 4.13 0.02 . 1 . . . . . 58 CYS HA . 50977 1 561 . 1 . 1 58 58 CYS HB2 H 1 3.58 0.02 . . . . . . . 58 CYS HB2 . 50977 1 562 . 1 . 1 58 58 CYS HB3 H 1 2.82 0.02 . . . . . . . 58 CYS HB3 . 50977 1 563 . 1 . 1 58 58 CYS C C 13 169.9 0.1 . 1 . . . . . 58 CYS C . 50977 1 564 . 1 . 1 58 58 CYS CA C 13 58.7 0.1 . 1 . . . . . 58 CYS CA . 50977 1 565 . 1 . 1 58 58 CYS CB C 13 24.8 0.1 . 1 . . . . . 58 CYS CB . 50977 1 566 . 1 . 1 59 59 THR H H 1 8.74 0.02 . 1 . . . . . 59 THR H . 50977 1 567 . 1 . 1 59 59 THR HA H 1 4.22 0.02 . 1 . . . . . 59 THR HA . 50977 1 568 . 1 . 1 59 59 THR HB H 1 4.68 0.02 . 1 . . . . . 59 THR HB . 50977 1 569 . 1 . 1 59 59 THR HG21 H 1 1.14 0.02 . 1 . . . . . 59 THR MG . 50977 1 570 . 1 . 1 59 59 THR HG22 H 1 1.14 0.02 . 1 . . . . . 59 THR MG . 50977 1 571 . 1 . 1 59 59 THR HG23 H 1 1.14 0.02 . 1 . . . . . 59 THR MG . 50977 1 572 . 1 . 1 59 59 THR C C 13 173.3 0.1 . 1 . . . . . 59 THR C . 50977 1 573 . 1 . 1 59 59 THR CA C 13 61.6 0.1 . 1 . . . . . 59 THR CA . 50977 1 574 . 1 . 1 59 59 THR CB C 13 66.2 0.1 . 1 . . . . . 59 THR CB . 50977 1 575 . 1 . 1 59 59 THR N N 15 119.6 0.1 . 1 . . . . . 59 THR N . 50977 1 576 . 1 . 1 60 60 ARG H H 1 9.55 0.02 . 1 . . . . . 60 ARG H . 50977 1 577 . 1 . 1 60 60 ARG HA H 1 5.16 0.02 . 1 . . . . . 60 ARG HA . 50977 1 578 . 1 . 1 60 60 ARG HB2 H 1 1.96 0.02 . . . . . . . 60 ARG HB2 . 50977 1 579 . 1 . 1 60 60 ARG HB3 H 1 1.96 0.02 . . . . . . . 60 ARG HB3 . 50977 1 580 . 1 . 1 60 60 ARG HG2 H 1 2.20 0.02 . . . . . . . 60 ARG HG2 . 50977 1 581 . 1 . 1 60 60 ARG HG3 H 1 2.20 0.02 . . . . . . . 60 ARG HG3 . 50977 1 582 . 1 . 1 60 60 ARG HD2 H 1 3.2 0.02 . . . . . . . 60 ARG HD2 . 50977 1 583 . 1 . 1 60 60 ARG HD3 H 1 3.2 0.02 . . . . . . . 60 ARG HD3 . 50977 1 584 . 1 . 1 60 60 ARG C C 13 171.7 0.1 . 1 . . . . . 60 ARG C . 50977 1 585 . 1 . 1 60 60 ARG CA C 13 50.7 0.1 . 1 . . . . . 60 ARG CA . 50977 1 586 . 1 . 1 60 60 ARG CB C 13 27.5 0.1 . 1 . . . . . 60 ARG CB . 50977 1 587 . 1 . 1 60 60 ARG N N 15 131.3 0.1 . 1 . . . . . 60 ARG N . 50977 1 588 . 1 . 1 61 61 ARG H H 1 8.51 0.02 . 1 . . . . . 61 ARG H . 50977 1 589 . 1 . 1 61 61 ARG HA H 1 5.68 0.02 . 1 . . . . . 61 ARG HA . 50977 1 590 . 1 . 1 61 61 ARG HB2 H 1 1.31 0.02 . . . . . . . 61 ARG HB2 . 50977 1 591 . 1 . 1 61 61 ARG HB3 H 1 1.31 0.02 . . . . . . . 61 ARG HB3 . 50977 1 592 . 1 . 1 61 61 ARG HG2 H 1 1.42 0.02 . . . . . . . 61 ARG HG2 . 50977 1 593 . 1 . 1 61 61 ARG HG3 H 1 1.42 0.02 . . . . . . . 61 ARG HG3 . 50977 1 594 . 1 . 1 61 61 ARG HD2 H 1 2.96 0.02 . . . . . . . 61 ARG HD2 . 50977 1 595 . 1 . 1 61 61 ARG HD3 H 1 2.96 0.02 . . . . . . . 61 ARG HD3 . 50977 1 596 . 1 . 1 61 61 ARG C C 13 170.5 0.1 . 1 . . . . . 61 ARG C . 50977 1 597 . 1 . 1 61 61 ARG CA C 13 51.1 0.1 . 1 . . . . . 61 ARG CA . 50977 1 598 . 1 . 1 61 61 ARG CB C 13 32.2 0.1 . 1 . . . . . 61 ARG CB . 50977 1 599 . 1 . 1 61 61 ARG N N 15 120.5 0.1 . 1 . . . . . 61 ARG N . 50977 1 600 . 1 . 1 62 62 LEU H H 1 8.41 0.02 . 1 . . . . . 62 LEU H . 50977 1 601 . 1 . 1 62 62 LEU HA H 1 4.34 0.02 . 1 . . . . . 62 LEU HA . 50977 1 602 . 1 . 1 62 62 LEU HB2 H 1 0.50 0.02 . . . . . . . 62 LEU HB2 . 50977 1 603 . 1 . 1 62 62 LEU HB3 H 1 0.50 0.02 . . . . . . . 62 LEU HB3 . 50977 1 604 . 1 . 1 62 62 LEU HD11 H 1 0.28 0.02 . . . . . . . 62 LEU MD1 . 50977 1 605 . 1 . 1 62 62 LEU HD12 H 1 0.28 0.02 . . . . . . . 62 LEU MD1 . 50977 1 606 . 1 . 1 62 62 LEU HD13 H 1 0.28 0.02 . . . . . . . 62 LEU MD1 . 50977 1 607 . 1 . 1 62 62 LEU HD21 H 1 0.00 0.02 . . . . . . . 62 LEU MD2 . 50977 1 608 . 1 . 1 62 62 LEU HD22 H 1 0.00 0.02 . . . . . . . 62 LEU MD2 . 50977 1 609 . 1 . 1 62 62 LEU HD23 H 1 0.00 0.02 . . . . . . . 62 LEU MD2 . 50977 1 610 . 1 . 1 62 62 LEU C C 13 172.4 0.1 . 1 . . . . . 62 LEU C . 50977 1 611 . 1 . 1 62 62 LEU CA C 13 50.2 0.1 . 1 . . . . . 62 LEU CA . 50977 1 612 . 1 . 1 62 62 LEU CB C 13 39.6 0.1 . 1 . . . . . 62 LEU CB . 50977 1 613 . 1 . 1 62 62 LEU N N 15 127.7 0.1 . 1 . . . . . 62 LEU N . 50977 1 614 . 1 . 1 63 63 VAL H H 1 8.82 0.02 . 1 . . . . . 63 VAL H . 50977 1 615 . 1 . 1 63 63 VAL HA H 1 4.23 0.02 . 1 . . . . . 63 VAL HA . 50977 1 616 . 1 . 1 63 63 VAL HB H 1 1.59 0.02 . 1 . . . . . 63 VAL HB . 50977 1 617 . 1 . 1 63 63 VAL HG11 H 1 0.52 0.02 . . . . . . . 63 VAL MG1 . 50977 1 618 . 1 . 1 63 63 VAL HG12 H 1 0.52 0.02 . . . . . . . 63 VAL MG1 . 50977 1 619 . 1 . 1 63 63 VAL HG13 H 1 0.52 0.02 . . . . . . . 63 VAL MG1 . 50977 1 620 . 1 . 1 63 63 VAL HG21 H 1 0.52 0.02 . . . . . . . 63 VAL MG2 . 50977 1 621 . 1 . 1 63 63 VAL HG22 H 1 0.52 0.02 . . . . . . . 63 VAL MG2 . 50977 1 622 . 1 . 1 63 63 VAL HG23 H 1 0.52 0.02 . . . . . . . 63 VAL MG2 . 50977 1 623 . 1 . 1 63 63 VAL C C 13 171.6 0.1 . 1 . . . . . 63 VAL C . 50977 1 624 . 1 . 1 63 63 VAL CA C 13 58.5 0.1 . 1 . . . . . 63 VAL CA . 50977 1 625 . 1 . 1 63 63 VAL CB C 13 31.6 0.1 . 1 . . . . . 63 VAL CB . 50977 1 626 . 1 . 1 63 63 VAL N N 15 125.1 0.1 . 1 . . . . . 63 VAL N . 50977 1 627 . 1 . 1 64 64 LEU H H 1 8.57 0.02 . 1 . . . . . 64 LEU H . 50977 1 628 . 1 . 1 64 64 LEU HA H 1 5.03 0.02 . 1 . . . . . 64 LEU HA . 50977 1 629 . 1 . 1 64 64 LEU HB2 H 1 1.58 0.02 . . . . . . . 64 LEU HB2 . 50977 1 630 . 1 . 1 64 64 LEU HB3 H 1 1.58 0.02 . . . . . . . 64 LEU HB3 . 50977 1 631 . 1 . 1 64 64 LEU HD11 H 1 1.17 0.02 . . . . . . . 64 LEU MD1 . 50977 1 632 . 1 . 1 64 64 LEU HD12 H 1 1.17 0.02 . . . . . . . 64 LEU MD1 . 50977 1 633 . 1 . 1 64 64 LEU HD13 H 1 1.17 0.02 . . . . . . . 64 LEU MD1 . 50977 1 634 . 1 . 1 64 64 LEU HD21 H 1 1.17 0.02 . . . . . . . 64 LEU MD2 . 50977 1 635 . 1 . 1 64 64 LEU HD22 H 1 1.17 0.02 . . . . . . . 64 LEU MD2 . 50977 1 636 . 1 . 1 64 64 LEU HD23 H 1 1.17 0.02 . . . . . . . 64 LEU MD2 . 50977 1 637 . 1 . 1 64 64 LEU C C 13 171.7 0.1 . 1 . . . . . 64 LEU C . 50977 1 638 . 1 . 1 64 64 LEU CA C 13 48.5 0.1 . 1 . . . . . 64 LEU CA . 50977 1 639 . 1 . 1 64 64 LEU CB C 13 39.4 0.1 . 1 . . . . . 64 LEU CB . 50977 1 640 . 1 . 1 64 64 LEU N N 15 128.5 0.1 . 1 . . . . . 64 LEU N . 50977 1 641 . 1 . 1 65 65 PRO HA H 1 4.04 0.02 . 1 . . . . . 65 PRO HA . 50977 1 642 . 1 . 1 65 65 PRO HB2 H 1 1.70 0.02 . . . . . . . 65 PRO HB2 . 50977 1 643 . 1 . 1 65 65 PRO HB3 H 1 1.70 0.02 . . . . . . . 65 PRO HB3 . 50977 1 644 . 1 . 1 65 65 PRO HG2 H 1 2.16 0.02 . . . . . . . 65 PRO HG2 . 50977 1 645 . 1 . 1 65 65 PRO HG3 H 1 2.16 0.02 . . . . . . . 65 PRO HG3 . 50977 1 646 . 1 . 1 65 65 PRO HD2 H 1 3.61 0.02 . . . . . . . 65 PRO HD2 . 50977 1 647 . 1 . 1 65 65 PRO HD3 H 1 3.61 0.02 . . . . . . . 65 PRO HD3 . 50977 1 648 . 1 . 1 65 65 PRO C C 13 174.0 0.1 . 1 . . . . . 65 PRO C . 50977 1 649 . 1 . 1 65 65 PRO CA C 13 61.5 0.1 . 1 . . . . . 65 PRO CA . 50977 1 650 . 1 . 1 65 65 PRO CB C 13 29.9 0.1 . 1 . . . . . 65 PRO CB . 50977 1 651 . 1 . 1 66 66 GLN H H 1 8.03 0.02 . 1 . . . . . 66 GLN H . 50977 1 652 . 1 . 1 66 66 GLN HA H 1 3.70 0.02 . 1 . . . . . 66 GLN HA . 50977 1 653 . 1 . 1 66 66 GLN HB2 H 1 1.70 0.02 . . . . . . . 66 GLN HB2 . 50977 1 654 . 1 . 1 66 66 GLN HB3 H 1 1.92 0.02 . . . . . . . 66 GLN HB3 . 50977 1 655 . 1 . 1 66 66 GLN HG2 H 1 2.06 0.02 . . . . . . . 66 GLN HG2 . 50977 1 656 . 1 . 1 66 66 GLN HG3 H 1 2.06 0.02 . . . . . . . 66 GLN HG3 . 50977 1 657 . 1 . 1 66 66 GLN C C 13 171.1 0.1 . 1 . . . . . 66 GLN C . 50977 1 658 . 1 . 1 66 66 GLN CA C 13 52.4 0.1 . 1 . . . . . 66 GLN CA . 50977 1 659 . 1 . 1 66 66 GLN CB C 13 26.8 0.1 . 1 . . . . . 66 GLN CB . 50977 1 660 . 1 . 1 66 66 GLN N N 15 117.0 0.1 . 1 . . . . . 66 GLN N . 50977 1 661 . 1 . 1 67 67 ALA H H 1 8.44 0.02 . 1 . . . . . 67 ALA H . 50977 1 662 . 1 . 1 67 67 ALA HA H 1 4.12 0.02 . 1 . . . . . 67 ALA HA . 50977 1 663 . 1 . 1 67 67 ALA HB1 H 1 1.14 0.02 . 1 . . . . . 67 ALA MB . 50977 1 664 . 1 . 1 67 67 ALA HB2 H 1 1.14 0.02 . 1 . . . . . 67 ALA MB . 50977 1 665 . 1 . 1 67 67 ALA HB3 H 1 1.14 0.02 . 1 . . . . . 67 ALA MB . 50977 1 666 . 1 . 1 67 67 ALA C C 13 174.8 0.1 . 1 . . . . . 67 ALA C . 50977 1 667 . 1 . 1 67 67 ALA CA C 13 50.1 0.1 . 1 . . . . . 67 ALA CA . 50977 1 668 . 1 . 1 67 67 ALA CB C 13 16.1 0.1 . 1 . . . . . 67 ALA CB . 50977 1 669 . 1 . 1 67 67 ALA N N 15 127.1 0.1 . 1 . . . . . 67 ALA N . 50977 1 670 . 1 . 1 68 68 GLY H H 1 9.65 0.02 . 1 . . . . . 68 GLY H . 50977 1 671 . 1 . 1 68 68 GLY HA2 H 1 3.73 0.02 . . . . . . . 68 GLY HA2 . 50977 1 672 . 1 . 1 68 68 GLY HA3 H 1 4.50 0.02 . . . . . . . 68 GLY HA3 . 50977 1 673 . 1 . 1 68 68 GLY C C 13 171.9 0.1 . 1 . . . . . 68 GLY C . 50977 1 674 . 1 . 1 68 68 GLY CA C 13 40.9 0.1 . 1 . . . . . 68 GLY CA . 50977 1 675 . 1 . 1 68 68 GLY N N 15 110.9 0.1 . 1 . . . . . 68 GLY N . 50977 1 676 . 1 . 1 69 69 LYS H H 1 8.90 0.02 . 1 . . . . . 69 LYS H . 50977 1 677 . 1 . 1 69 69 LYS C C 13 176.5 0.1 . 1 . . . . . 69 LYS C . 50977 1 678 . 1 . 1 69 69 LYS CA C 13 57.7 0.1 . 1 . . . . . 69 LYS CA . 50977 1 679 . 1 . 1 69 69 LYS CB C 13 29.4 0.1 . 1 . . . . . 69 LYS CB . 50977 1 680 . 1 . 1 69 69 LYS N N 15 120.7 0.1 . 1 . . . . . 69 LYS N . 50977 1 681 . 1 . 1 70 70 ALA HA H 1 4.16 0.02 . 1 . . . . . 70 ALA HA . 50977 1 682 . 1 . 1 70 70 ALA HB1 H 1 1.30 0.02 . 1 . . . . . 70 ALA MB . 50977 1 683 . 1 . 1 70 70 ALA HB2 H 1 1.30 0.02 . 1 . . . . . 70 ALA MB . 50977 1 684 . 1 . 1 70 70 ALA HB3 H 1 1.30 0.02 . 1 . . . . . 70 ALA MB . 50977 1 685 . 1 . 1 70 70 ALA C C 13 175.3 0.1 . 1 . . . . . 70 ALA C . 50977 1 686 . 1 . 1 70 70 ALA CA C 13 51.2 0.1 . 1 . . . . . 70 ALA CA . 50977 1 687 . 1 . 1 70 70 ALA CB C 13 15.8 0.1 . 1 . . . . . 70 ALA CB . 50977 1 688 . 1 . 1 71 71 ASP H H 1 8.01 0.02 . 1 . . . . . 71 ASP H . 50977 1 689 . 1 . 1 71 71 ASP HA H 1 4.51 0.02 . 1 . . . . . 71 ASP HA . 50977 1 690 . 1 . 1 71 71 ASP HB2 H 1 2.53 0.02 . . . . . . . 71 ASP HB2 . 50977 1 691 . 1 . 1 71 71 ASP HB3 H 1 2.73 0.02 . . . . . . . 71 ASP HB3 . 50977 1 692 . 1 . 1 71 71 ASP C C 13 173.8 0.1 . 1 . . . . . 71 ASP C . 50977 1 693 . 1 . 1 71 71 ASP CA C 13 52.5 0.1 . 1 . . . . . 71 ASP CA . 50977 1 694 . 1 . 1 71 71 ASP CB C 13 39.1 0.1 . 1 . . . . . 71 ASP CB . 50977 1 695 . 1 . 1 71 71 ASP N N 15 114.3 0.1 . 1 . . . . . 71 ASP N . 50977 1 696 . 1 . 1 72 72 ALA H H 1 7.30 0.02 . 1 . . . . . 72 ALA H . 50977 1 697 . 1 . 1 72 72 ALA HA H 1 4.05 0.02 . 1 . . . . . 72 ALA HA . 50977 1 698 . 1 . 1 72 72 ALA HB1 H 1 1.55 0.02 . 1 . . . . . 72 ALA MB . 50977 1 699 . 1 . 1 72 72 ALA HB2 H 1 1.55 0.02 . 1 . . . . . 72 ALA MB . 50977 1 700 . 1 . 1 72 72 ALA HB3 H 1 1.55 0.02 . 1 . . . . . 72 ALA MB . 50977 1 701 . 1 . 1 72 72 ALA C C 13 174.2 0.1 . 1 . . . . . 72 ALA C . 50977 1 702 . 1 . 1 72 72 ALA CA C 13 50.8 0.1 . 1 . . . . . 72 ALA CA . 50977 1 703 . 1 . 1 72 72 ALA CB C 13 17.3 0.1 . 1 . . . . . 72 ALA CB . 50977 1 704 . 1 . 1 72 72 ALA N N 15 123.3 0.1 . 1 . . . . . 72 ALA N . 50977 1 705 . 1 . 1 73 73 GLY H H 1 8.52 0.02 . 1 . . . . . 73 GLY H . 50977 1 706 . 1 . 1 73 73 GLY HA2 H 1 3.80 0.02 . . . . . . . 73 GLY HA2 . 50977 1 707 . 1 . 1 73 73 GLY HA3 H 1 4.47 0.02 . . . . . . . 73 GLY HA3 . 50977 1 708 . 1 . 1 73 73 GLY C C 13 168.6 0.1 . 1 . . . . . 73 GLY C . 50977 1 709 . 1 . 1 73 73 GLY CA C 13 42.1 0.1 . 1 . . . . . 73 GLY CA . 50977 1 710 . 1 . 1 73 73 GLY N N 15 107.9 0.1 . 1 . . . . . 73 GLY N . 50977 1 711 . 1 . 1 74 74 GLU H H 1 8.48 0.02 . 1 . . . . . 74 GLU H . 50977 1 712 . 1 . 1 74 74 GLU HA H 1 5.07 0.02 . 1 . . . . . 74 GLU HA . 50977 1 713 . 1 . 1 74 74 GLU HB2 H 1 1.91 0.02 . . . . . . . 74 GLU HB2 . 50977 1 714 . 1 . 1 74 74 GLU HB3 H 1 1.91 0.02 . . . . . . . 74 GLU HB3 . 50977 1 715 . 1 . 1 74 74 GLU HG2 H 1 2.07 0.02 . . . . . . . 74 GLU HG2 . 50977 1 716 . 1 . 1 74 74 GLU HG3 H 1 2.07 0.02 . . . . . . . 74 GLU HG3 . 50977 1 717 . 1 . 1 74 74 GLU C C 13 173.2 0.1 . 1 . . . . . 74 GLU C . 50977 1 718 . 1 . 1 74 74 GLU CA C 13 52.8 0.1 . 1 . . . . . 74 GLU CA . 50977 1 719 . 1 . 1 74 74 GLU CB C 13 28.0 0.1 . 1 . . . . . 74 GLU CB . 50977 1 720 . 1 . 1 74 74 GLU N N 15 121.4 0.1 . 1 . . . . . 74 GLU N . 50977 1 721 . 1 . 1 75 75 TYR H H 1 9.66 0.02 . 1 . . . . . 75 TYR H . 50977 1 722 . 1 . 1 75 75 TYR HA H 1 5.66 0.02 . 1 . . . . . 75 TYR HA . 50977 1 723 . 1 . 1 75 75 TYR HB2 H 1 2.96 0.02 . . . . . . . 75 TYR HB2 . 50977 1 724 . 1 . 1 75 75 TYR HB3 H 1 2.96 0.02 . . . . . . . 75 TYR HB3 . 50977 1 725 . 1 . 1 75 75 TYR HD1 H 1 6.90 0.02 . . . . . . . 75 TYR HD1 . 50977 1 726 . 1 . 1 75 75 TYR HD2 H 1 6.90 0.02 . . . . . . . 75 TYR HD2 . 50977 1 727 . 1 . 1 75 75 TYR HE1 H 1 6.50 0.02 . . . . . . . 75 TYR HE1 . 50977 1 728 . 1 . 1 75 75 TYR HE2 H 1 6.50 0.02 . . . . . . . 75 TYR HE2 . 50977 1 729 . 1 . 1 75 75 TYR C C 13 173.6 0.1 . 1 . . . . . 75 TYR C . 50977 1 730 . 1 . 1 75 75 TYR CA C 13 53.7 0.1 . 1 . . . . . 75 TYR CA . 50977 1 731 . 1 . 1 75 75 TYR CB C 13 40.2 0.1 . 1 . . . . . 75 TYR CB . 50977 1 732 . 1 . 1 75 75 TYR N N 15 126.7 0.1 . 1 . . . . . 75 TYR N . 50977 1 733 . 1 . 1 76 76 SER H H 1 9.39 0.02 . 1 . . . . . 76 SER H . 50977 1 734 . 1 . 1 76 76 SER HA H 1 5.65 0.02 . 1 . . . . . 76 SER HA . 50977 1 735 . 1 . 1 76 76 SER HB2 H 1 3.54 0.02 . . . . . . . 76 SER HB2 . 50977 1 736 . 1 . 1 76 76 SER HB3 H 1 3.73 0.02 . . . . . . . 76 SER HB3 . 50977 1 737 . 1 . 1 76 76 SER C C 13 168.9 0.1 . 1 . . . . . 76 SER C . 50977 1 738 . 1 . 1 76 76 SER CA C 13 54.6 0.1 . 1 . . . . . 76 SER CA . 50977 1 739 . 1 . 1 76 76 SER CB C 13 63.1 0.1 . 1 . . . . . 76 SER CB . 50977 1 740 . 1 . 1 76 76 SER N N 15 114.2 0.1 . 1 . . . . . 76 SER N . 50977 1 741 . 1 . 1 77 77 CYS H H 1 8.96 0.02 . 1 . . . . . 77 CYS H . 50977 1 742 . 1 . 1 77 77 CYS HA H 1 4.32 0.02 . 1 . . . . . 77 CYS HA . 50977 1 743 . 1 . 1 77 77 CYS HB2 H 1 1.98 0.02 . . . . . . . 77 CYS HB2 . 50977 1 744 . 1 . 1 77 77 CYS HB3 H 1 1.10 0.02 . . . . . . . 77 CYS HB3 . 50977 1 745 . 1 . 1 77 77 CYS C C 13 170.7 0.1 . 1 . . . . . 77 CYS C . 50977 1 746 . 1 . 1 77 77 CYS CA C 13 55.3 0.1 . 1 . . . . . 77 CYS CA . 50977 1 747 . 1 . 1 77 77 CYS CB C 13 25.4 0.1 . 1 . . . . . 77 CYS CB . 50977 1 748 . 1 . 1 77 77 CYS N N 15 124.8 0.1 . 1 . . . . . 77 CYS N . 50977 1 749 . 1 . 1 78 78 GLU H H 1 9.25 0.02 . 1 . . . . . 78 GLU H . 50977 1 750 . 1 . 1 78 78 GLU HA H 1 5.50 0.02 . 1 . . . . . 78 GLU HA . 50977 1 751 . 1 . 1 78 78 GLU HB2 H 1 1.75 0.02 . . . . . . . 78 GLU HB2 . 50977 1 752 . 1 . 1 78 78 GLU HB3 H 1 1.97 0.02 . . . . . . . 78 GLU HB3 . 50977 1 753 . 1 . 1 78 78 GLU HG2 H 1 2.12 0.02 . . . . . . . 78 GLU HG2 . 50977 1 754 . 1 . 1 78 78 GLU HG3 H 1 2.27 0.02 . . . . . . . 78 GLU HG3 . 50977 1 755 . 1 . 1 78 78 GLU C C 13 172.7 0.1 . 1 . . . . . 78 GLU C . 50977 1 756 . 1 . 1 78 78 GLU CA C 13 52.3 0.1 . 1 . . . . . 78 GLU CA . 50977 1 757 . 1 . 1 78 78 GLU CB C 13 31.3 0.1 . 1 . . . . . 78 GLU CB . 50977 1 758 . 1 . 1 78 78 GLU N N 15 125.3 0.1 . 1 . . . . . 78 GLU N . 50977 1 759 . 1 . 1 79 79 ALA H H 1 8.73 0.02 . 1 . . . . . 79 ALA H . 50977 1 760 . 1 . 1 79 79 ALA HA H 1 4.48 0.02 . 1 . . . . . 79 ALA HA . 50977 1 761 . 1 . 1 79 79 ALA HB1 H 1 0.84 0.02 . 1 . . . . . 79 ALA MB . 50977 1 762 . 1 . 1 79 79 ALA HB2 H 1 0.84 0.02 . 1 . . . . . 79 ALA MB . 50977 1 763 . 1 . 1 79 79 ALA HB3 H 1 0.84 0.02 . 1 . . . . . 79 ALA MB . 50977 1 764 . 1 . 1 79 79 ALA C C 13 174.2 0.1 . 1 . . . . . 79 ALA C . 50977 1 765 . 1 . 1 79 79 ALA CA C 13 50.7 0.1 . 1 . . . . . 79 ALA CA . 50977 1 766 . 1 . 1 79 79 ALA CB C 13 19.5 0.1 . 1 . . . . . 79 ALA CB . 50977 1 767 . 1 . 1 79 79 ALA N N 15 125.3 0.1 . 1 . . . . . 79 ALA N . 50977 1 768 . 1 . 1 80 80 GLY C C 13 172.3 0.1 . 1 . . . . . 80 GLY C . 50977 1 769 . 1 . 1 80 80 GLY CA C 13 45.2 0.1 . 1 . . . . . 80 GLY CA . 50977 1 770 . 1 . 1 81 81 GLY H H 1 8.79 0.02 . 1 . . . . . 81 GLY H . 50977 1 771 . 1 . 1 81 81 GLY HA2 H 1 3.61 0.02 . . . . . . . 81 GLY HA2 . 50977 1 772 . 1 . 1 81 81 GLY HA3 H 1 4.10 0.02 . . . . . . . 81 GLY HA3 . 50977 1 773 . 1 . 1 81 81 GLY CA C 13 42.5 0.1 . 1 . . . . . 81 GLY CA . 50977 1 774 . 1 . 1 81 81 GLY N N 15 107.0 0.1 . 1 . . . . . 81 GLY N . 50977 1 775 . 1 . 1 82 82 GLN H H 1 8.09 0.02 . 1 . . . . . 82 GLN H . 50977 1 776 . 1 . 1 82 82 GLN HA H 1 4.64 0.02 . 1 . . . . . 82 GLN HA . 50977 1 777 . 1 . 1 82 82 GLN HB2 H 1 2.07 0.02 . . . . . . . 82 GLN HB2 . 50977 1 778 . 1 . 1 82 82 GLN HB3 H 1 2.07 0.02 . . . . . . . 82 GLN HB3 . 50977 1 779 . 1 . 1 82 82 GLN HG2 H 1 2.41 0.02 . . . . . . . 82 GLN HG2 . 50977 1 780 . 1 . 1 82 82 GLN HG3 H 1 2.35 0.02 . . . . . . . 82 GLN HG3 . 50977 1 781 . 1 . 1 82 82 GLN C C 13 171.9 0.1 . 1 . . . . . 82 GLN C . 50977 1 782 . 1 . 1 82 82 GLN CA C 13 52.0 0.1 . 1 . . . . . 82 GLN CA . 50977 1 783 . 1 . 1 82 82 GLN CB C 13 28.3 0.1 . 1 . . . . . 82 GLN CB . 50977 1 784 . 1 . 1 82 82 GLN N N 15 121.3 0.1 . 1 . . . . . 82 GLN N . 50977 1 785 . 1 . 1 83 83 ARG H H 1 8.36 0.02 . 1 . . . . . 83 ARG H . 50977 1 786 . 1 . 1 83 83 ARG HA H 1 5.45 0.02 . 1 . . . . . 83 ARG HA . 50977 1 787 . 1 . 1 83 83 ARG HB2 H 1 1.44 0.02 . . . . . . . 83 ARG HB2 . 50977 1 788 . 1 . 1 83 83 ARG HB3 H 1 1.44 0.02 . . . . . . . 83 ARG HB3 . 50977 1 789 . 1 . 1 83 83 ARG HG2 H 1 1.28 0.02 . . . . . . . 83 ARG HG2 . 50977 1 790 . 1 . 1 83 83 ARG HG3 H 1 1.28 0.02 . . . . . . . 83 ARG HG3 . 50977 1 791 . 1 . 1 83 83 ARG HD2 H 1 2.86 0.02 . . . . . . . 83 ARG HD2 . 50977 1 792 . 1 . 1 83 83 ARG HD3 H 1 2.86 0.02 . . . . . . . 83 ARG HD3 . 50977 1 793 . 1 . 1 83 83 ARG C C 13 172.5 0.1 . 1 . . . . . 83 ARG C . 50977 1 794 . 1 . 1 83 83 ARG CA C 13 52.2 0.1 . 1 . . . . . 83 ARG CA . 50977 1 795 . 1 . 1 83 83 ARG CB C 13 32.0 0.1 . 1 . . . . . 83 ARG CB . 50977 1 796 . 1 . 1 83 83 ARG N N 15 118.5 0.1 . 1 . . . . . 83 ARG N . 50977 1 797 . 1 . 1 84 84 VAL H H 1 8.25 0.02 . 1 . . . . . 84 VAL H . 50977 1 798 . 1 . 1 84 84 VAL HA H 1 3.96 0.02 . 1 . . . . . 84 VAL HA . 50977 1 799 . 1 . 1 84 84 VAL HB H 1 1.23 0.02 . 1 . . . . . 84 VAL HB . 50977 1 800 . 1 . 1 84 84 VAL HG11 H 1 0.11 0.02 . . . . . . . 84 VAL MG1 . 50977 1 801 . 1 . 1 84 84 VAL HG12 H 1 0.11 0.02 . . . . . . . 84 VAL MG1 . 50977 1 802 . 1 . 1 84 84 VAL HG13 H 1 0.11 0.02 . . . . . . . 84 VAL MG1 . 50977 1 803 . 1 . 1 84 84 VAL HG21 H 1 -0.28 0.02 . . . . . . . 84 VAL MG2 . 50977 1 804 . 1 . 1 84 84 VAL HG22 H 1 -0.28 0.02 . . . . . . . 84 VAL MG2 . 50977 1 805 . 1 . 1 84 84 VAL HG23 H 1 -0.28 0.02 . . . . . . . 84 VAL MG2 . 50977 1 806 . 1 . 1 84 84 VAL C C 13 171.8 0.1 . 1 . . . . . 84 VAL C . 50977 1 807 . 1 . 1 84 84 VAL CA C 13 58.7 0.1 . 1 . . . . . 84 VAL CA . 50977 1 808 . 1 . 1 84 84 VAL CB C 13 31.5 0.1 . 1 . . . . . 84 VAL CB . 50977 1 809 . 1 . 1 84 84 VAL N N 15 122.2 0.1 . 1 . . . . . 84 VAL N . 50977 1 810 . 1 . 1 85 85 SER H H 1 8.44 0.02 . 1 . . . . . 85 SER H . 50977 1 811 . 1 . 1 85 85 SER HA H 1 5.23 0.02 . 1 . . . . . 85 SER HA . 50977 1 812 . 1 . 1 85 85 SER HB2 H 1 3.85 0.02 . . . . . . . 85 SER HB2 . 50977 1 813 . 1 . 1 85 85 SER HB3 H 1 3.71 0.02 . . . . . . . 85 SER HB3 . 50977 1 814 . 1 . 1 85 85 SER C C 13 170.9 0.1 . 1 . . . . . 85 SER C . 50977 1 815 . 1 . 1 85 85 SER CA C 13 54.9 0.1 . 1 . . . . . 85 SER CA . 50977 1 816 . 1 . 1 85 85 SER CB C 13 63.4 0.1 . 1 . . . . . 85 SER CB . 50977 1 817 . 1 . 1 85 85 SER N N 15 119.4 0.1 . 1 . . . . . 85 SER N . 50977 1 818 . 1 . 1 86 86 PHE H H 1 9.40 0.02 . 1 . . . . . 86 PHE H . 50977 1 819 . 1 . 1 86 86 PHE HA H 1 5.30 0.02 . 1 . . . . . 86 PHE HA . 50977 1 820 . 1 . 1 86 86 PHE HB2 H 1 2.97 0.02 . . . . . . . 86 PHE HB2 . 50977 1 821 . 1 . 1 86 86 PHE HB3 H 1 2.64 0.02 . . . . . . . 86 PHE HB3 . 50977 1 822 . 1 . 1 86 86 PHE C C 13 172.3 0.1 . 1 . . . . . 86 PHE C . 50977 1 823 . 1 . 1 86 86 PHE CA C 13 52.9 0.1 . 1 . . . . . 86 PHE CA . 50977 1 824 . 1 . 1 86 86 PHE CB C 13 41.0 0.1 . 1 . . . . . 86 PHE CB . 50977 1 825 . 1 . 1 86 86 PHE N N 15 120.1 0.1 . 1 . . . . . 86 PHE N . 50977 1 826 . 1 . 1 87 87 HIS H H 1 8.94 0.02 . 1 . . . . . 87 HIS H . 50977 1 827 . 1 . 1 87 87 HIS HA H 1 5.16 0.02 . 1 . . . . . 87 HIS HA . 50977 1 828 . 1 . 1 87 87 HIS HB2 H 1 3.10 0.02 . . . . . . . 87 HIS HB2 . 50977 1 829 . 1 . 1 87 87 HIS HB3 H 1 3.10 0.02 . . . . . . . 87 HIS HB3 . 50977 1 830 . 1 . 1 87 87 HIS C C 13 170.7 0.1 . 1 . . . . . 87 HIS C . 50977 1 831 . 1 . 1 87 87 HIS CA C 13 52.9 0.1 . 1 . . . . . 87 HIS CA . 50977 1 832 . 1 . 1 87 87 HIS CB C 13 28.8 0.1 . 1 . . . . . 87 HIS CB . 50977 1 833 . 1 . 1 87 87 HIS N N 15 124.1 0.1 . 1 . . . . . 87 HIS N . 50977 1 834 . 1 . 1 88 88 LEU H H 1 9.04 0.02 . 1 . . . . . 88 LEU H . 50977 1 835 . 1 . 1 88 88 LEU HA H 1 5.06 0.02 . 1 . . . . . 88 LEU HA . 50977 1 836 . 1 . 1 88 88 LEU HB2 H 1 2.22 0.02 . . . . . . . 88 LEU HB2 . 50977 1 837 . 1 . 1 88 88 LEU HB3 H 1 2.22 0.02 . . . . . . . 88 LEU HB3 . 50977 1 838 . 1 . 1 88 88 LEU HG H 1 1.0 0.02 . 1 . . . . . 88 LEU HG . 50977 1 839 . 1 . 1 88 88 LEU HD11 H 1 0.90 0.02 . . . . . . . 88 LEU MD1 . 50977 1 840 . 1 . 1 88 88 LEU HD12 H 1 0.90 0.02 . . . . . . . 88 LEU MD1 . 50977 1 841 . 1 . 1 88 88 LEU HD13 H 1 0.90 0.02 . . . . . . . 88 LEU MD1 . 50977 1 842 . 1 . 1 88 88 LEU HD21 H 1 0.44 0.02 . . . . . . . 88 LEU MD2 . 50977 1 843 . 1 . 1 88 88 LEU HD22 H 1 0.44 0.02 . . . . . . . 88 LEU MD2 . 50977 1 844 . 1 . 1 88 88 LEU HD23 H 1 0.44 0.02 . . . . . . . 88 LEU MD2 . 50977 1 845 . 1 . 1 88 88 LEU C C 13 171.9 0.1 . 1 . . . . . 88 LEU C . 50977 1 846 . 1 . 1 88 88 LEU CA C 13 51.1 0.1 . 1 . . . . . 88 LEU CA . 50977 1 847 . 1 . 1 88 88 LEU CB C 13 41.3 0.1 . 1 . . . . . 88 LEU CB . 50977 1 848 . 1 . 1 88 88 LEU N N 15 128.3 0.1 . 1 . . . . . 88 LEU N . 50977 1 849 . 1 . 1 89 89 HIS H H 1 9.13 0.02 . 1 . . . . . 89 HIS H . 50977 1 850 . 1 . 1 89 89 HIS HA H 1 4.86 0.02 . 1 . . . . . 89 HIS HA . 50977 1 851 . 1 . 1 89 89 HIS HB2 H 1 2.95 0.02 . . . . . . . 89 HIS HB2 . 50977 1 852 . 1 . 1 89 89 HIS HB3 H 1 2.95 0.02 . . . . . . . 89 HIS HB3 . 50977 1 853 . 1 . 1 89 89 HIS C C 13 171.0 0.1 . 1 . . . . . 89 HIS C . 50977 1 854 . 1 . 1 89 89 HIS CA C 13 52.2 0.1 . 1 . . . . . 89 HIS CA . 50977 1 855 . 1 . 1 89 89 HIS CB C 13 30.4 0.1 . 1 . . . . . 89 HIS CB . 50977 1 856 . 1 . 1 89 89 HIS N N 15 129.1 0.1 . 1 . . . . . 89 HIS N . 50977 1 857 . 1 . 1 90 90 ILE H H 1 7.94 0.02 . 1 . . . . . 90 ILE H . 50977 1 858 . 1 . 1 90 90 ILE HA H 1 5.22 0.02 . 1 . . . . . 90 ILE HA . 50977 1 859 . 1 . 1 90 90 ILE HB H 1 1.79 0.02 . 1 . . . . . 90 ILE HB . 50977 1 860 . 1 . 1 90 90 ILE HG12 H 1 1.40 0.02 . . . . . . . 90 ILE HG12 . 50977 1 861 . 1 . 1 90 90 ILE HG13 H 1 1.12 0.02 . . . . . . . 90 ILE HG13 . 50977 1 862 . 1 . 1 90 90 ILE HG21 H 1 0.36 0.02 . 1 . . . . . 90 ILE MG . 50977 1 863 . 1 . 1 90 90 ILE HG22 H 1 0.36 0.02 . 1 . . . . . 90 ILE MG . 50977 1 864 . 1 . 1 90 90 ILE HG23 H 1 0.36 0.02 . 1 . . . . . 90 ILE MG . 50977 1 865 . 1 . 1 90 90 ILE HD11 H 1 0.52 0.02 . 1 . . . . . 90 ILE MD . 50977 1 866 . 1 . 1 90 90 ILE HD12 H 1 0.52 0.02 . 1 . . . . . 90 ILE MD . 50977 1 867 . 1 . 1 90 90 ILE HD13 H 1 0.52 0.02 . 1 . . . . . 90 ILE MD . 50977 1 868 . 1 . 1 90 90 ILE C C 13 173.7 0.1 . 1 . . . . . 90 ILE C . 50977 1 869 . 1 . 1 90 90 ILE CA C 13 53.9 0.1 . 1 . . . . . 90 ILE CA . 50977 1 870 . 1 . 1 90 90 ILE CB C 13 34.6 0.1 . 1 . . . . . 90 ILE CB . 50977 1 871 . 1 . 1 90 90 ILE N N 15 124.4 0.1 . 1 . . . . . 90 ILE N . 50977 1 872 . 1 . 1 91 91 THR H H 1 8.71 0.02 . 1 . . . . . 91 THR H . 50977 1 873 . 1 . 1 91 91 THR HA H 1 4.17 0.02 . 1 . . . . . 91 THR HA . 50977 1 874 . 1 . 1 91 91 THR HB H 1 4.44 0.02 . 1 . . . . . 91 THR HB . 50977 1 875 . 1 . 1 91 91 THR HG21 H 1 0.99 0.02 . 1 . . . . . 91 THR MG . 50977 1 876 . 1 . 1 91 91 THR HG22 H 1 0.99 0.02 . 1 . . . . . 91 THR MG . 50977 1 877 . 1 . 1 91 91 THR HG23 H 1 0.99 0.02 . 1 . . . . . 91 THR MG . 50977 1 878 . 1 . 1 91 91 THR C C 13 171.1 0.1 . 1 . . . . . 91 THR C . 50977 1 879 . 1 . 1 91 91 THR CA C 13 57.7 0.1 . 1 . . . . . 91 THR CA . 50977 1 880 . 1 . 1 91 91 THR CB C 13 67.6 0.1 . 1 . . . . . 91 THR CB . 50977 1 881 . 1 . 1 91 91 THR N N 15 120.3 0.1 . 1 . . . . . 91 THR N . 50977 1 882 . 1 . 1 92 92 GLU H H 1 8.45 0.02 . 1 . . . . . 92 GLU H . 50977 1 883 . 1 . 1 92 92 GLU HA H 1 4.69 0.02 . 1 . . . . . 92 GLU HA . 50977 1 884 . 1 . 1 92 92 GLU HB2 H 1 1.79 0.02 . . . . . . . 92 GLU HB2 . 50977 1 885 . 1 . 1 92 92 GLU HB3 H 1 1.79 0.02 . . . . . . . 92 GLU HB3 . 50977 1 886 . 1 . 1 92 92 GLU HG2 H 1 2.19 0.02 . . . . . . . 92 GLU HG2 . 50977 1 887 . 1 . 1 92 92 GLU HG3 H 1 2.19 0.02 . . . . . . . 92 GLU HG3 . 50977 1 888 . 1 . 1 92 92 GLU C C 13 172.1 0.1 . 1 . . . . . 92 GLU C . 50977 1 889 . 1 . 1 92 92 GLU CA C 13 51.5 0.1 . 1 . . . . . 92 GLU CA . 50977 1 890 . 1 . 1 92 92 GLU CB C 13 27.4 0.1 . 1 . . . . . 92 GLU CB . 50977 1 891 . 1 . 1 92 92 GLU N N 15 122.0 0.1 . 1 . . . . . 92 GLU N . 50977 1 892 . 1 . 1 93 93 PRO HA H 1 4.32 0.02 . 1 . . . . . 93 PRO HA . 50977 1 893 . 1 . 1 93 93 PRO HB2 H 1 1.95 0.02 . . . . . . . 93 PRO HB2 . 50977 1 894 . 1 . 1 93 93 PRO HB3 H 1 1.95 0.02 . . . . . . . 93 PRO HB3 . 50977 1 895 . 1 . 1 93 93 PRO HG2 H 1 1.78 0.02 . . . . . . . 93 PRO HG2 . 50977 1 896 . 1 . 1 93 93 PRO HG3 H 1 1.78 0.02 . . . . . . . 93 PRO HG3 . 50977 1 897 . 1 . 1 93 93 PRO C C 13 174.0 0.1 . 1 . . . . . 93 PRO C . 50977 1 898 . 1 . 1 93 93 PRO CA C 13 60.5 0.1 . 1 . . . . . 93 PRO CA . 50977 1 899 . 1 . 1 93 93 PRO CB C 13 29.6 0.1 . 1 . . . . . 93 PRO CB . 50977 1 900 . 1 . 1 94 94 LEU H H 1 8.35 0.02 . 1 . . . . . 94 LEU H . 50977 1 901 . 1 . 1 94 94 LEU HA H 1 4.13 0.02 . 1 . . . . . 94 LEU HA . 50977 1 902 . 1 . 1 94 94 LEU HB2 H 1 1.49 0.02 . . . . . . . 94 LEU HB2 . 50977 1 903 . 1 . 1 94 94 LEU HB3 H 1 1.49 0.02 . . . . . . . 94 LEU HB3 . 50977 1 904 . 1 . 1 94 94 LEU HD11 H 1 0.80 0.02 . . . . . . . 94 LEU MD1 . 50977 1 905 . 1 . 1 94 94 LEU HD12 H 1 0.80 0.02 . . . . . . . 94 LEU MD1 . 50977 1 906 . 1 . 1 94 94 LEU HD13 H 1 0.80 0.02 . . . . . . . 94 LEU MD1 . 50977 1 907 . 1 . 1 94 94 LEU HD21 H 1 0.80 0.02 . . . . . . . 94 LEU MD2 . 50977 1 908 . 1 . 1 94 94 LEU HD22 H 1 0.80 0.02 . . . . . . . 94 LEU MD2 . 50977 1 909 . 1 . 1 94 94 LEU HD23 H 1 0.80 0.02 . . . . . . . 94 LEU MD2 . 50977 1 910 . 1 . 1 94 94 LEU C C 13 174.8 0.1 . 1 . . . . . 94 LEU C . 50977 1 911 . 1 . 1 94 94 LEU CA C 13 52.7 0.1 . 1 . . . . . 94 LEU CA . 50977 1 912 . 1 . 1 94 94 LEU CB C 13 39.7 0.1 . 1 . . . . . 94 LEU CB . 50977 1 913 . 1 . 1 94 94 LEU N N 15 122.6 0.1 . 1 . . . . . 94 LEU N . 50977 1 914 . 1 . 1 95 95 GLU H H 1 8.22 0.02 . 1 . . . . . 95 GLU H . 50977 1 915 . 1 . 1 95 95 GLU C C 13 173.0 0.1 . 1 . . . . . 95 GLU C . 50977 1 916 . 1 . 1 95 95 GLU CA C 13 53.8 0.1 . 1 . . . . . 95 GLU CA . 50977 1 917 . 1 . 1 95 95 GLU CB C 13 27.8 0.1 . 1 . . . . . 95 GLU CB . 50977 1 918 . 1 . 1 95 95 GLU N N 15 120.9 0.1 . 1 . . . . . 95 GLU N . 50977 1 stop_ save_