data_50976 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50976 _Entry.Title ; Human obscurin Ig13 ; _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 Grace Moncure . E. . . 50976 2 Nathan Wright . T. . . 50976 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50976 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 342 50976 '15N chemical shifts' 88 50976 '1H chemical shifts' 578 50976 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' 50976 1 . . 2022-10-24 2021-06-16 original author 'original release' 50976 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 50977 'Human obscurin Ig12' 50976 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50976 _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. . . 50976 1 2 Grace Moncure G. E. . . 50976 1 3 Roujon Nowzari R. A. . . 50976 1 4 Callie Miller C. J. . . 50976 1 5 Nathan Wright N. T. . . 50976 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50976 _Assembly.ID 1 _Assembly.Name 'Human obscurin Ig13' _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 11453 _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 Ig13' 1 $entity_1 . . yes native no no . . . 50976 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50976 _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 ; MEPKGVFAKEQSVHNEVQAE AGTTAMLSCEVAQPQTEVTW YKDGKKLSSSSKVRMEVKGC TRRLVVQQVGKADAGEYSCE AGGQRVSFQLHITEPLEHHH HHH ; _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 103 _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 . 50976 1 2 . GLU . 50976 1 3 . PRO . 50976 1 4 . LYS . 50976 1 5 . GLY . 50976 1 6 . VAL . 50976 1 7 . PHE . 50976 1 8 . ALA . 50976 1 9 . LYS . 50976 1 10 . GLU . 50976 1 11 . GLN . 50976 1 12 . SER . 50976 1 13 . VAL . 50976 1 14 . HIS . 50976 1 15 . ASN . 50976 1 16 . GLU . 50976 1 17 . VAL . 50976 1 18 . GLN . 50976 1 19 . ALA . 50976 1 20 . GLU . 50976 1 21 . ALA . 50976 1 22 . GLY . 50976 1 23 . THR . 50976 1 24 . THR . 50976 1 25 . ALA . 50976 1 26 . MET . 50976 1 27 . LEU . 50976 1 28 . SER . 50976 1 29 . CYS . 50976 1 30 . GLU . 50976 1 31 . VAL . 50976 1 32 . ALA . 50976 1 33 . GLN . 50976 1 34 . PRO . 50976 1 35 . GLN . 50976 1 36 . THR . 50976 1 37 . GLU . 50976 1 38 . VAL . 50976 1 39 . THR . 50976 1 40 . TRP . 50976 1 41 . TYR . 50976 1 42 . LYS . 50976 1 43 . ASP . 50976 1 44 . GLY . 50976 1 45 . LYS . 50976 1 46 . LYS . 50976 1 47 . LEU . 50976 1 48 . SER . 50976 1 49 . SER . 50976 1 50 . SER . 50976 1 51 . SER . 50976 1 52 . LYS . 50976 1 53 . VAL . 50976 1 54 . ARG . 50976 1 55 . MET . 50976 1 56 . GLU . 50976 1 57 . VAL . 50976 1 58 . LYS . 50976 1 59 . GLY . 50976 1 60 . CYS . 50976 1 61 . THR . 50976 1 62 . ARG . 50976 1 63 . ARG . 50976 1 64 . LEU . 50976 1 65 . VAL . 50976 1 66 . VAL . 50976 1 67 . GLN . 50976 1 68 . GLN . 50976 1 69 . VAL . 50976 1 70 . GLY . 50976 1 71 . LYS . 50976 1 72 . ALA . 50976 1 73 . ASP . 50976 1 74 . ALA . 50976 1 75 . GLY . 50976 1 76 . GLU . 50976 1 77 . TYR . 50976 1 78 . SER . 50976 1 79 . CYS . 50976 1 80 . GLU . 50976 1 81 . ALA . 50976 1 82 . GLY . 50976 1 83 . GLY . 50976 1 84 . GLN . 50976 1 85 . ARG . 50976 1 86 . VAL . 50976 1 87 . SER . 50976 1 88 . PHE . 50976 1 89 . GLN . 50976 1 90 . LEU . 50976 1 91 . HIS . 50976 1 92 . ILE . 50976 1 93 . THR . 50976 1 94 . GLU . 50976 1 95 . PRO . 50976 1 96 . LEU . 50976 1 97 . GLU . 50976 1 98 . HIS . 50976 1 99 . HIS . 50976 1 100 . HIS . 50976 1 101 . HIS . 50976 1 102 . HIS . 50976 1 103 . HIS . 50976 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 50976 1 . GLU 2 2 50976 1 . PRO 3 3 50976 1 . LYS 4 4 50976 1 . GLY 5 5 50976 1 . VAL 6 6 50976 1 . PHE 7 7 50976 1 . ALA 8 8 50976 1 . LYS 9 9 50976 1 . GLU 10 10 50976 1 . GLN 11 11 50976 1 . SER 12 12 50976 1 . VAL 13 13 50976 1 . HIS 14 14 50976 1 . ASN 15 15 50976 1 . GLU 16 16 50976 1 . VAL 17 17 50976 1 . GLN 18 18 50976 1 . ALA 19 19 50976 1 . GLU 20 20 50976 1 . ALA 21 21 50976 1 . GLY 22 22 50976 1 . THR 23 23 50976 1 . THR 24 24 50976 1 . ALA 25 25 50976 1 . MET 26 26 50976 1 . LEU 27 27 50976 1 . SER 28 28 50976 1 . CYS 29 29 50976 1 . GLU 30 30 50976 1 . VAL 31 31 50976 1 . ALA 32 32 50976 1 . GLN 33 33 50976 1 . PRO 34 34 50976 1 . GLN 35 35 50976 1 . THR 36 36 50976 1 . GLU 37 37 50976 1 . VAL 38 38 50976 1 . THR 39 39 50976 1 . TRP 40 40 50976 1 . TYR 41 41 50976 1 . LYS 42 42 50976 1 . ASP 43 43 50976 1 . GLY 44 44 50976 1 . LYS 45 45 50976 1 . LYS 46 46 50976 1 . LEU 47 47 50976 1 . SER 48 48 50976 1 . SER 49 49 50976 1 . SER 50 50 50976 1 . SER 51 51 50976 1 . LYS 52 52 50976 1 . VAL 53 53 50976 1 . ARG 54 54 50976 1 . MET 55 55 50976 1 . GLU 56 56 50976 1 . VAL 57 57 50976 1 . LYS 58 58 50976 1 . GLY 59 59 50976 1 . CYS 60 60 50976 1 . THR 61 61 50976 1 . ARG 62 62 50976 1 . ARG 63 63 50976 1 . LEU 64 64 50976 1 . VAL 65 65 50976 1 . VAL 66 66 50976 1 . GLN 67 67 50976 1 . GLN 68 68 50976 1 . VAL 69 69 50976 1 . GLY 70 70 50976 1 . LYS 71 71 50976 1 . ALA 72 72 50976 1 . ASP 73 73 50976 1 . ALA 74 74 50976 1 . GLY 75 75 50976 1 . GLU 76 76 50976 1 . TYR 77 77 50976 1 . SER 78 78 50976 1 . CYS 79 79 50976 1 . GLU 80 80 50976 1 . ALA 81 81 50976 1 . GLY 82 82 50976 1 . GLY 83 83 50976 1 . GLN 84 84 50976 1 . ARG 85 85 50976 1 . VAL 86 86 50976 1 . SER 87 87 50976 1 . PHE 88 88 50976 1 . GLN 89 89 50976 1 . LEU 90 90 50976 1 . HIS 91 91 50976 1 . ILE 92 92 50976 1 . THR 93 93 50976 1 . GLU 94 94 50976 1 . PRO 95 95 50976 1 . LEU 96 96 50976 1 . GLU 97 97 50976 1 . HIS 98 98 50976 1 . HIS 99 99 50976 1 . HIS 100 100 50976 1 . HIS 101 101 50976 1 . HIS 102 102 50976 1 . HIS 103 103 50976 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 50976 _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 . . . . . . . . . . . . . 50976 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 50976 _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 . . . 50976 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50976 _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 Ig13' '[U-100% 15N]' . . 1 $entity_1 . . 1 . . mM . . . . 50976 1 2 TRIS 'natural abundance' . . . . . . 50 . . mM . . . . 50976 1 3 NaCl 'natural abundance' . . . . . . 20 . . mM . . . . 50976 1 4 NaN3 'natural abundance' . . . . . . 0.35 . . mM . . . . 50976 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 50976 _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 50976 1 pH 7.2 . pH 50976 1 pressure 1 . atm 50976 1 temperature 298 . K 50976 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50976 _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 . 50976 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50976 _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' . 50976 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50976 _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 . 50976 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 50976 _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 50976 _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 . . . . . . . . . . . . . . . . . 50976 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50976 1 3 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50976 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50976 1 5 '3D HNCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50976 1 6 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50976 1 7 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50976 1 8 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50976 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50976 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50976 1 11 '1H-15N heteronoe' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50976 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 50976 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name 'Human obscurin Ig13' _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 1 . . . . . 50976 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 1 . . . . . 50976 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 internal indirect 1 . . . . . 50976 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 50976 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'Human obscurin Ig13' _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' . . . 50976 1 2 '3D CBCA(CO)NH' . . . 50976 1 3 '3D HNCACB' . . . 50976 1 4 '3D HNCO' . . . 50976 1 5 '3D HNCACO' . . . 50976 1 6 '3D H(CCO)NH' . . . 50976 1 7 '3D C(CO)NH' . . . 50976 1 8 '2D 1H-15N HSQC' . . . 50976 1 9 '3D 1H-15N NOESY' . . . 50976 1 10 '3D 1H-13C NOESY' . . . 50976 1 11 '1H-15N heteronoe' . . . 50976 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 . . 50976 1 2 $software_2 . . 50976 1 3 $software_3 . . 50976 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 3 3 PRO HA H 1 4.36 0.02 . 1 . . . . . 3 PRO HA . 50976 1 2 . 1 . 1 3 3 PRO HB2 H 1 1.93 0.02 . . . . . . . 3 PRO HB2 . 50976 1 3 . 1 . 1 3 3 PRO HB3 H 1 1.84 0.02 . . . . . . . 3 PRO HB3 . 50976 1 4 . 1 . 1 3 3 PRO HG2 H 1 2.21 0.02 . . . . . . . 3 PRO HG2 . 50976 1 5 . 1 . 1 3 3 PRO HG3 H 1 2.21 0.02 . . . . . . . 3 PRO HG3 . 50976 1 6 . 1 . 1 3 3 PRO HD2 H 1 3.66 0.02 . . . . . . . 3 PRO HD2 . 50976 1 7 . 1 . 1 3 3 PRO HD3 H 1 3.80 0.02 . . . . . . . 3 PRO HD3 . 50976 1 8 . 1 . 1 3 3 PRO C C 13 174 0.2 . 1 . . . . . 3 PRO C . 50976 1 9 . 1 . 1 3 3 PRO CA C 13 62.4 0.2 . 1 . . . . . 3 PRO CA . 50976 1 10 . 1 . 1 3 3 PRO CB C 13 31.4 0.2 . 1 . . . . . 3 PRO CB . 50976 1 11 . 1 . 1 3 3 PRO CG C 13 26.6 0.2 . 1 . . . . . 3 PRO CG . 50976 1 12 . 1 . 1 4 4 LYS H H 1 8.33 0.02 . 1 . . . . . 4 LYS H . 50976 1 13 . 1 . 1 4 4 LYS HA H 1 4.29 0.02 . 1 . . . . . 4 LYS HA . 50976 1 14 . 1 . 1 4 4 LYS HB2 H 1 1.74 0.02 . . . . . . . 4 LYS HB2 . 50976 1 15 . 1 . 1 4 4 LYS HB3 H 1 1.74 0.02 . . . . . . . 4 LYS HB3 . 50976 1 16 . 1 . 1 4 4 LYS HG2 H 1 1.37 0.02 . . . . . . . 4 LYS HG2 . 50976 1 17 . 1 . 1 4 4 LYS HG3 H 1 1.37 0.02 . . . . . . . 4 LYS HG3 . 50976 1 18 . 1 . 1 4 4 LYS HD2 H 1 1.65 0.02 . . . . . . . 4 LYS HD2 . 50976 1 19 . 1 . 1 4 4 LYS HD3 H 1 1.65 0.02 . . . . . . . 4 LYS HD3 . 50976 1 20 . 1 . 1 4 4 LYS HE2 H 1 2.91 0.02 . . . . . . . 4 LYS HE2 . 50976 1 21 . 1 . 1 4 4 LYS HE3 H 1 2.91 0.02 . . . . . . . 4 LYS HE3 . 50976 1 22 . 1 . 1 4 4 LYS C C 13 174.4 0.2 . 1 . . . . . 4 LYS C . 50976 1 23 . 1 . 1 4 4 LYS CA C 13 55.2 0.2 . 1 . . . . . 4 LYS CA . 50976 1 24 . 1 . 1 4 4 LYS CB C 13 32.7 0.2 . 1 . . . . . 4 LYS CB . 50976 1 25 . 1 . 1 4 4 LYS N N 15 121.5 0.1 . 1 . . . . . 4 LYS N . 50976 1 26 . 1 . 1 5 5 GLY H H 1 8.33 0.02 . 1 . . . . . 5 GLY H . 50976 1 27 . 1 . 1 5 5 GLY HA2 H 1 3.85 0.02 . . . . . . . 5 GLY HA2 . 50976 1 28 . 1 . 1 5 5 GLY HA3 H 1 4.08 0.02 . . . . . . . 5 GLY HA3 . 50976 1 29 . 1 . 1 5 5 GLY C C 13 171.3 0.2 . 1 . . . . . 5 GLY C . 50976 1 30 . 1 . 1 5 5 GLY CA C 13 44.8 0.2 . 1 . . . . . 5 GLY CA . 50976 1 31 . 1 . 1 5 5 GLY N N 15 110 0.1 . 1 . . . . . 5 GLY N . 50976 1 32 . 1 . 1 6 6 VAL H H 1 8.09 0.02 . 1 . . . . . 6 VAL H . 50976 1 33 . 1 . 1 6 6 VAL HA H 1 3.67 0.02 . 1 . . . . . 6 VAL HA . 50976 1 34 . 1 . 1 6 6 VAL HB H 1 1.60 0.02 . 1 . . . . . 6 VAL HB . 50976 1 35 . 1 . 1 6 6 VAL HG11 H 1 0.2 0.02 . . . . . . . 6 VAL MG1 . 50976 1 36 . 1 . 1 6 6 VAL HG12 H 1 0.2 0.02 . . . . . . . 6 VAL MG1 . 50976 1 37 . 1 . 1 6 6 VAL HG13 H 1 0.2 0.02 . . . . . . . 6 VAL MG1 . 50976 1 38 . 1 . 1 6 6 VAL HG21 H 1 0.71 0.02 . . . . . . . 6 VAL MG2 . 50976 1 39 . 1 . 1 6 6 VAL HG22 H 1 0.71 0.02 . . . . . . . 6 VAL MG2 . 50976 1 40 . 1 . 1 6 6 VAL HG23 H 1 0.71 0.02 . . . . . . . 6 VAL MG2 . 50976 1 41 . 1 . 1 6 6 VAL C C 13 174.8 0.2 . 1 . . . . . 6 VAL C . 50976 1 42 . 1 . 1 6 6 VAL CA C 13 63.46 0.2 . 1 . . . . . 6 VAL CA . 50976 1 43 . 1 . 1 6 6 VAL CB C 13 32.36 0.2 . 1 . . . . . 6 VAL CB . 50976 1 44 . 1 . 1 6 6 VAL CG1 C 13 20.7 0.2 . . . . . . . 6 VAL CG1 . 50976 1 45 . 1 . 1 6 6 VAL CG2 C 13 21.4 0.2 . . . . . . . 6 VAL CG2 . 50976 1 46 . 1 . 1 6 6 VAL N N 15 119.9 0.1 . 1 . . . . . 6 VAL N . 50976 1 47 . 1 . 1 7 7 PHE H H 1 8.44 0.02 . 1 . . . . . 7 PHE H . 50976 1 48 . 1 . 1 7 7 PHE HA H 1 4.65 0.02 . 1 . . . . . 7 PHE HA . 50976 1 49 . 1 . 1 7 7 PHE HB2 H 1 2.77 0.02 . . . . . . . 7 PHE HB2 . 50976 1 50 . 1 . 1 7 7 PHE HB3 H 1 2.77 0.02 . . . . . . . 7 PHE HB3 . 50976 1 51 . 1 . 1 7 7 PHE C C 13 170.9 0.2 . 1 . . . . . 7 PHE C . 50976 1 52 . 1 . 1 7 7 PHE CA C 13 57.8 0.2 . 1 . . . . . 7 PHE CA . 50976 1 53 . 1 . 1 7 7 PHE CB C 13 39.2 0.2 . 1 . . . . . 7 PHE CB . 50976 1 54 . 1 . 1 7 7 PHE N N 15 119.5 0.1 . 1 . . . . . 7 PHE N . 50976 1 55 . 1 . 1 8 8 ALA H H 1 8.23 0.02 . 1 . . . . . 8 ALA H . 50976 1 56 . 1 . 1 8 8 ALA HA H 1 3.94 0.02 . 1 . . . . . 8 ALA HA . 50976 1 57 . 1 . 1 8 8 ALA HB1 H 1 1.27 0.02 . 1 . . . . . 8 ALA MB . 50976 1 58 . 1 . 1 8 8 ALA HB2 H 1 1.27 0.02 . 1 . . . . . 8 ALA MB . 50976 1 59 . 1 . 1 8 8 ALA HB3 H 1 1.27 0.02 . 1 . . . . . 8 ALA MB . 50976 1 60 . 1 . 1 8 8 ALA C C 13 175.9 0.2 . 1 . . . . . 8 ALA C . 50976 1 61 . 1 . 1 8 8 ALA CA C 13 51.9 0.2 . 1 . . . . . 8 ALA CA . 50976 1 62 . 1 . 1 8 8 ALA CB C 13 18.5 0.2 . 1 . . . . . 8 ALA CB . 50976 1 63 . 1 . 1 8 8 ALA N N 15 122.9 0.1 . 1 . . . . . 8 ALA N . 50976 1 64 . 1 . 1 9 9 LYS H H 1 8.67 0.02 . 1 . . . . . 9 LYS H . 50976 1 65 . 1 . 1 9 9 LYS HA H 1 3.94 0.02 . 1 . . . . . 9 LYS HA . 50976 1 66 . 1 . 1 9 9 LYS HB2 H 1 1.83 0.02 . . . . . . . 9 LYS HB2 . 50976 1 67 . 1 . 1 9 9 LYS HB3 H 1 1.83 0.02 . . . . . . . 9 LYS HB3 . 50976 1 68 . 1 . 1 9 9 LYS HG2 H 1 1.41 0.02 . . . . . . . 9 LYS HG2 . 50976 1 69 . 1 . 1 9 9 LYS HG3 H 1 1.41 0.02 . . . . . . . 9 LYS HG3 . 50976 1 70 . 1 . 1 9 9 LYS HD2 H 1 1.72 0.02 . . . . . . . 9 LYS HD2 . 50976 1 71 . 1 . 1 9 9 LYS HD3 H 1 1.72 0.02 . . . . . . . 9 LYS HD3 . 50976 1 72 . 1 . 1 9 9 LYS HE2 H 1 2.84 0.02 . . . . . . . 9 LYS HE2 . 50976 1 73 . 1 . 1 9 9 LYS HE3 H 1 2.84 0.02 . . . . . . . 9 LYS HE3 . 50976 1 74 . 1 . 1 9 9 LYS C C 13 175.2 0.2 . 1 . . . . . 9 LYS C . 50976 1 75 . 1 . 1 9 9 LYS CA C 13 58.7 0.2 . 1 . . . . . 9 LYS CA . 50976 1 76 . 1 . 1 9 9 LYS CB C 13 31.7 0.2 . 1 . . . . . 9 LYS CB . 50976 1 77 . 1 . 1 9 9 LYS CG C 13 23.8 0.2 . 1 . . . . . 9 LYS CG . 50976 1 78 . 1 . 1 9 9 LYS CD C 13 30.9 0.2 . 1 . . . . . 9 LYS CD . 50976 1 79 . 1 . 1 9 9 LYS N N 15 123.4 0.1 . 1 . . . . . 9 LYS N . 50976 1 80 . 1 . 1 10 10 GLU H H 1 8.53 0.02 . 1 . . . . . 10 GLU H . 50976 1 81 . 1 . 1 10 10 GLU HA H 1 4.17 0.02 . 1 . . . . . 10 GLU HA . 50976 1 82 . 1 . 1 10 10 GLU HB2 H 1 1.84 0.02 . . . . . . . 10 GLU HB2 . 50976 1 83 . 1 . 1 10 10 GLU HB3 H 1 1.84 0.02 . . . . . . . 10 GLU HB3 . 50976 1 84 . 1 . 1 10 10 GLU HG2 H 1 2.17 0.02 . . . . . . . 10 GLU HG2 . 50976 1 85 . 1 . 1 10 10 GLU HG3 H 1 2.17 0.02 . . . . . . . 10 GLU HG3 . 50976 1 86 . 1 . 1 10 10 GLU C C 13 173.4 0.2 . 1 . . . . . 10 GLU C . 50976 1 87 . 1 . 1 10 10 GLU CA C 13 55.9 0.2 . 1 . . . . . 10 GLU CA . 50976 1 88 . 1 . 1 10 10 GLU CB C 13 27.7 0.2 . 1 . . . . . 10 GLU CB . 50976 1 89 . 1 . 1 10 10 GLU CG C 13 35.8 0.2 . 1 . . . . . 10 GLU CG . 50976 1 90 . 1 . 1 10 10 GLU N N 15 114.7 0.1 . 1 . . . . . 10 GLU N . 50976 1 91 . 1 . 1 11 11 GLN H H 1 7.51 0.02 . 1 . . . . . 11 GLN H . 50976 1 92 . 1 . 1 11 11 GLN HA H 1 4.05 0.02 . 1 . . . . . 11 GLN HA . 50976 1 93 . 1 . 1 11 11 GLN HB2 H 1 2.10 0.02 . . . . . . . 11 GLN HB2 . 50976 1 94 . 1 . 1 11 11 GLN HB3 H 1 2.10 0.02 . . . . . . . 11 GLN HB3 . 50976 1 95 . 1 . 1 11 11 GLN HG2 H 1 2.22 0.02 . . . . . . . 11 GLN HG2 . 50976 1 96 . 1 . 1 11 11 GLN HG3 H 1 2.22 0.02 . . . . . . . 11 GLN HG3 . 50976 1 97 . 1 . 1 11 11 GLN C C 13 172.9 0.2 . 1 . . . . . 11 GLN C . 50976 1 98 . 1 . 1 11 11 GLN CA C 13 54.4 0.2 . 1 . . . . . 11 GLN CA . 50976 1 99 . 1 . 1 11 11 GLN CB C 13 29.2 0.2 . 1 . . . . . 11 GLN CB . 50976 1 100 . 1 . 1 11 11 GLN CG C 13 33.8 0.2 . 1 . . . . . 11 GLN CG . 50976 1 101 . 1 . 1 11 11 GLN N N 15 120.5 0.1 . 1 . . . . . 11 GLN N . 50976 1 102 . 1 . 1 12 12 SER H H 1 8.80 0.02 . 1 . . . . . 12 SER H . 50976 1 103 . 1 . 1 12 12 SER HA H 1 4.70 0.02 . 1 . . . . . 12 SER HA . 50976 1 104 . 1 . 1 12 12 SER HB2 H 1 3.87 0.02 . . . . . . . 12 SER HB2 . 50976 1 105 . 1 . 1 12 12 SER HB3 H 1 3.87 0.02 . . . . . . . 12 SER HB3 . 50976 1 106 . 1 . 1 12 12 SER C C 13 174.4 0.2 . 1 . . . . . 12 SER C . 50976 1 107 . 1 . 1 12 12 SER CA C 13 57.8 0.2 . 1 . . . . . 12 SER CA . 50976 1 108 . 1 . 1 12 12 SER CB C 13 62.3 0.2 . 1 . . . . . 12 SER CB . 50976 1 109 . 1 . 1 12 12 SER N N 15 126.1 0.1 . 1 . . . . . 12 SER N . 50976 1 110 . 1 . 1 13 13 VAL H H 1 8.55 0.02 . 1 . . . . . 13 VAL H . 50976 1 111 . 1 . 1 13 13 VAL HA H 1 3.84 0.02 . 1 . . . . . 13 VAL HA . 50976 1 112 . 1 . 1 13 13 VAL HB H 1 2.16 0.02 . 1 . . . . . 13 VAL HB . 50976 1 113 . 1 . 1 13 13 VAL HG11 H 1 0.85 0.02 . . . . . . . 13 VAL MG1 . 50976 1 114 . 1 . 1 13 13 VAL HG12 H 1 0.85 0.02 . . . . . . . 13 VAL MG1 . 50976 1 115 . 1 . 1 13 13 VAL HG13 H 1 0.85 0.02 . . . . . . . 13 VAL MG1 . 50976 1 116 . 1 . 1 13 13 VAL HG21 H 1 0.76 0.02 . . . . . . . 13 VAL MG2 . 50976 1 117 . 1 . 1 13 13 VAL HG22 H 1 0.76 0.02 . . . . . . . 13 VAL MG2 . 50976 1 118 . 1 . 1 13 13 VAL HG23 H 1 0.76 0.02 . . . . . . . 13 VAL MG2 . 50976 1 119 . 1 . 1 13 13 VAL C C 13 171.6 0.2 . 1 . . . . . 13 VAL C . 50976 1 120 . 1 . 1 13 13 VAL CA C 13 63.9 0.2 . 1 . . . . . 13 VAL CA . 50976 1 121 . 1 . 1 13 13 VAL CB C 13 31.0 0.2 . 1 . . . . . 13 VAL CB . 50976 1 122 . 1 . 1 13 13 VAL CG1 C 13 19.4 0.2 . . . . . . . 13 VAL CG1 . 50976 1 123 . 1 . 1 13 13 VAL CG2 C 13 20.4 0.2 . . . . . . . 13 VAL CG2 . 50976 1 124 . 1 . 1 13 13 VAL N N 15 124.1 0.1 . 1 . . . . . 13 VAL N . 50976 1 125 . 1 . 1 14 14 HIS H H 1 7.54 0.02 . 1 . . . . . 14 HIS H . 50976 1 126 . 1 . 1 14 14 HIS HA H 1 4.90 0.02 . 1 . . . . . 14 HIS HA . 50976 1 127 . 1 . 1 14 14 HIS HB2 H 1 2.84 0.02 . . . . . . . 14 HIS HB2 . 50976 1 128 . 1 . 1 14 14 HIS HB3 H 1 2.84 0.02 . . . . . . . 14 HIS HB3 . 50976 1 129 . 1 . 1 14 14 HIS C C 13 171.9 0.2 . 1 . . . . . 14 HIS C . 50976 1 130 . 1 . 1 14 14 HIS CA C 13 55.4 0.2 . 1 . . . . . 14 HIS CA . 50976 1 131 . 1 . 1 14 14 HIS CB C 13 31.9 0.2 . 1 . . . . . 14 HIS CB . 50976 1 132 . 1 . 1 14 14 HIS N N 15 119.4 0.1 . 1 . . . . . 14 HIS N . 50976 1 133 . 1 . 1 15 15 ASN H H 1 7.30 0.02 . 1 . . . . . 15 ASN H . 50976 1 134 . 1 . 1 15 15 ASN HA H 1 4.87 0.02 . 1 . . . . . 15 ASN HA . 50976 1 135 . 1 . 1 15 15 ASN HB2 H 1 2.38 0.02 . . . . . . . 15 ASN HB2 . 50976 1 136 . 1 . 1 15 15 ASN HB3 H 1 2.38 0.02 . . . . . . . 15 ASN HB3 . 50976 1 137 . 1 . 1 15 15 ASN C C 13 170.4 0.2 . 1 . . . . . 15 ASN C . 50976 1 138 . 1 . 1 15 15 ASN CA C 13 51.9 0.2 . 1 . . . . . 15 ASN CA . 50976 1 139 . 1 . 1 15 15 ASN CB C 13 42.8 0.2 . 1 . . . . . 15 ASN CB . 50976 1 140 . 1 . 1 15 15 ASN N N 15 122.3 0.1 . 1 . . . . . 15 ASN N . 50976 1 141 . 1 . 1 16 16 GLU HA H 1 4.93 0.02 . 1 . . . . . 16 GLU HA . 50976 1 142 . 1 . 1 16 16 GLU HB2 H 1 1.98 0.02 . . . . . . . 16 GLU HB2 . 50976 1 143 . 1 . 1 16 16 GLU HB3 H 1 1.98 0.02 . . . . . . . 16 GLU HB3 . 50976 1 144 . 1 . 1 16 16 GLU HG2 H 1 2.3 0.02 . . . . . . . 16 GLU HG2 . 50976 1 145 . 1 . 1 16 16 GLU HG3 H 1 2.1 0.02 . . . . . . . 16 GLU HG3 . 50976 1 146 . 1 . 1 16 16 GLU C C 13 172.5 0.2 . 1 . . . . . 16 GLU C . 50976 1 147 . 1 . 1 16 16 GLU CA C 13 55.4 0.2 . 1 . . . . . 16 GLU CA . 50976 1 148 . 1 . 1 16 16 GLU CB C 13 31.0 0.2 . 1 . . . . . 16 GLU CB . 50976 1 149 . 1 . 1 16 16 GLU CG C 13 35.7 0.2 . 1 . . . . . 16 GLU CG . 50976 1 150 . 1 . 1 17 17 VAL H H 1 9.08 0.02 . 1 . . . . . 17 VAL H . 50976 1 151 . 1 . 1 17 17 VAL HA H 1 4.41 0.02 . 1 . . . . . 17 VAL HA . 50976 1 152 . 1 . 1 17 17 VAL HB H 1 1.74 0.02 . 1 . . . . . 17 VAL HB . 50976 1 153 . 1 . 1 17 17 VAL HG11 H 1 0.81 0.02 . . . . . . . 17 VAL MG1 . 50976 1 154 . 1 . 1 17 17 VAL HG12 H 1 0.81 0.02 . . . . . . . 17 VAL MG1 . 50976 1 155 . 1 . 1 17 17 VAL HG13 H 1 0.81 0.02 . . . . . . . 17 VAL MG1 . 50976 1 156 . 1 . 1 17 17 VAL HG21 H 1 0.96 0.02 . . . . . . . 17 VAL MG2 . 50976 1 157 . 1 . 1 17 17 VAL HG22 H 1 0.96 0.02 . . . . . . . 17 VAL MG2 . 50976 1 158 . 1 . 1 17 17 VAL HG23 H 1 0.96 0.02 . . . . . . . 17 VAL MG2 . 50976 1 159 . 1 . 1 17 17 VAL C C 13 170.7 0.2 . 1 . . . . . 17 VAL C . 50976 1 160 . 1 . 1 17 17 VAL CA C 13 60.6 0.2 . 1 . . . . . 17 VAL CA . 50976 1 161 . 1 . 1 17 17 VAL CB C 13 35.1 0.2 . 1 . . . . . 17 VAL CB . 50976 1 162 . 1 . 1 17 17 VAL CG1 C 13 20.5 0.2 . . . . . . . 17 VAL CG1 . 50976 1 163 . 1 . 1 17 17 VAL CG2 C 13 20.5 0.2 . . . . . . . 17 VAL CG2 . 50976 1 164 . 1 . 1 17 17 VAL N N 15 125.6 0.1 . 1 . . . . . 17 VAL N . 50976 1 165 . 1 . 1 18 18 GLN H H 1 8.59 0.02 . 1 . . . . . 18 GLN H . 50976 1 166 . 1 . 1 18 18 GLN HA H 1 5.41 0.02 . 1 . . . . . 18 GLN HA . 50976 1 167 . 1 . 1 18 18 GLN HB2 H 1 1.93 0.02 . . . . . . . 18 GLN HB2 . 50976 1 168 . 1 . 1 18 18 GLN HB3 H 1 1.93 0.02 . . . . . . . 18 GLN HB3 . 50976 1 169 . 1 . 1 18 18 GLN HG2 H 1 2.21 0.02 . . . . . . . 18 GLN HG2 . 50976 1 170 . 1 . 1 18 18 GLN HG3 H 1 2.21 0.02 . . . . . . . 18 GLN HG3 . 50976 1 171 . 1 . 1 18 18 GLN C C 13 172.3 0.2 . 1 . . . . . 18 GLN C . 50976 1 172 . 1 . 1 18 18 GLN CA C 13 53.3 0.2 . 1 . . . . . 18 GLN CA . 50976 1 173 . 1 . 1 18 18 GLN CB C 13 30.5 0.2 . 1 . . . . . 18 GLN CB . 50976 1 174 . 1 . 1 18 18 GLN CG C 13 33.2 0.2 . 1 . . . . . 18 GLN CG . 50976 1 175 . 1 . 1 18 18 GLN N N 15 125.1 0.1 . 1 . . . . . 18 GLN N . 50976 1 176 . 1 . 1 19 19 ALA H H 1 8.71 0.02 . 1 . . . . . 19 ALA H . 50976 1 177 . 1 . 1 19 19 ALA HA H 1 4.5 0.02 . 1 . . . . . 19 ALA HA . 50976 1 178 . 1 . 1 19 19 ALA HB1 H 1 1.04 0.02 . 1 . . . . . 19 ALA MB . 50976 1 179 . 1 . 1 19 19 ALA HB2 H 1 1.04 0.02 . 1 . . . . . 19 ALA MB . 50976 1 180 . 1 . 1 19 19 ALA HB3 H 1 1.04 0.02 . 1 . . . . . 19 ALA MB . 50976 1 181 . 1 . 1 19 19 ALA C C 13 172.3 0.2 . 1 . . . . . 19 ALA C . 50976 1 182 . 1 . 1 19 19 ALA CA C 13 50.2 0.2 . 1 . . . . . 19 ALA CA . 50976 1 183 . 1 . 1 19 19 ALA CB C 13 22.1 0.2 . 1 . . . . . 19 ALA CB . 50976 1 184 . 1 . 1 19 19 ALA N N 15 125.3 0.1 . 1 . . . . . 19 ALA N . 50976 1 185 . 1 . 1 20 20 GLU H H 1 8.24 0.02 . 1 . . . . . 20 GLU H . 50976 1 186 . 1 . 1 20 20 GLU HA H 1 4.5 0.02 . 1 . . . . . 20 GLU HA . 50976 1 187 . 1 . 1 20 20 GLU HB2 H 1 1.75 0.02 . . . . . . . 20 GLU HB2 . 50976 1 188 . 1 . 1 20 20 GLU HB3 H 1 1.75 0.02 . . . . . . . 20 GLU HB3 . 50976 1 189 . 1 . 1 20 20 GLU HG2 H 1 2.07 0.02 . . . . . . . 20 GLU HG2 . 50976 1 190 . 1 . 1 20 20 GLU HG3 H 1 2.17 0.02 . . . . . . . 20 GLU HG3 . 50976 1 191 . 1 . 1 20 20 GLU C C 13 174.3 0.2 . 1 . . . . . 20 GLU C . 50976 1 192 . 1 . 1 20 20 GLU CA C 13 54.6 0.2 . 1 . . . . . 20 GLU CA . 50976 1 193 . 1 . 1 20 20 GLU CB C 13 30.1 0.2 . 1 . . . . . 20 GLU CB . 50976 1 194 . 1 . 1 20 20 GLU CG C 13 36.0 0.2 . 1 . . . . . 20 GLU CG . 50976 1 195 . 1 . 1 20 20 GLU N N 15 121.8 0.1 . 1 . . . . . 20 GLU N . 50976 1 196 . 1 . 1 21 21 ALA H H 1 8.74 0.02 . 1 . . . . . 21 ALA H . 50976 1 197 . 1 . 1 21 21 ALA HA H 1 3.86 0.02 . 1 . . . . . 21 ALA HA . 50976 1 198 . 1 . 1 21 21 ALA HB1 H 1 1.32 0.02 . 1 . . . . . 21 ALA MB . 50976 1 199 . 1 . 1 21 21 ALA HB2 H 1 1.32 0.02 . 1 . . . . . 21 ALA MB . 50976 1 200 . 1 . 1 21 21 ALA HB3 H 1 1.32 0.02 . 1 . . . . . 21 ALA MB . 50976 1 201 . 1 . 1 21 21 ALA C C 13 174.9 0.2 . 1 . . . . . 21 ALA C . 50976 1 202 . 1 . 1 21 21 ALA CA C 13 53.3 0.2 . 1 . . . . . 21 ALA CA . 50976 1 203 . 1 . 1 21 21 ALA CB C 13 17.2 0.2 . 1 . . . . . 21 ALA CB . 50976 1 204 . 1 . 1 21 21 ALA N N 15 127.9 0.1 . 1 . . . . . 21 ALA N . 50976 1 205 . 1 . 1 22 22 GLY H H 1 9.75 0.02 . 1 . . . . . 22 GLY H . 50976 1 206 . 1 . 1 22 22 GLY HA2 H 1 4.32 0.02 . . . . . . . 22 GLY HA2 . 50976 1 207 . 1 . 1 22 22 GLY HA3 H 1 3.34 0.02 . . . . . . . 22 GLY HA3 . 50976 1 208 . 1 . 1 22 22 GLY C C 13 172.2 0.2 . 1 . . . . . 22 GLY C . 50976 1 209 . 1 . 1 22 22 GLY CA C 13 44.3 0.2 . 1 . . . . . 22 GLY CA . 50976 1 210 . 1 . 1 22 22 GLY N N 15 110.5 0.1 . 1 . . . . . 22 GLY N . 50976 1 211 . 1 . 1 23 23 THR H H 1 7.74 0.02 . 1 . . . . . 23 THR H . 50976 1 212 . 1 . 1 23 23 THR HA H 1 4.39 0.02 . 1 . . . . . 23 THR HA . 50976 1 213 . 1 . 1 23 23 THR HB H 1 4.58 0.02 . 1 . . . . . 23 THR HB . 50976 1 214 . 1 . 1 23 23 THR HG21 H 1 1.13 0.02 . 1 . . . . . 23 THR MG . 50976 1 215 . 1 . 1 23 23 THR HG22 H 1 1.13 0.02 . 1 . . . . . 23 THR MG . 50976 1 216 . 1 . 1 23 23 THR HG23 H 1 1.13 0.02 . 1 . . . . . 23 THR MG . 50976 1 217 . 1 . 1 23 23 THR C C 13 169.6 0.2 . 1 . . . . . 23 THR C . 50976 1 218 . 1 . 1 23 23 THR CA C 13 60.6 0.2 . 1 . . . . . 23 THR CA . 50976 1 219 . 1 . 1 23 23 THR CB C 13 70.2 0.2 . 1 . . . . . 23 THR CB . 50976 1 220 . 1 . 1 23 23 THR CG2 C 13 21.1 0.2 . 1 . . . . . 23 THR CG2 . 50976 1 221 . 1 . 1 23 23 THR N N 15 112 0.1 . 1 . . . . . 23 THR N . 50976 1 222 . 1 . 1 24 24 THR H H 1 8.15 0.02 . 1 . . . . . 24 THR H . 50976 1 223 . 1 . 1 24 24 THR HA H 1 4.89 0.02 . 1 . . . . . 24 THR HA . 50976 1 224 . 1 . 1 24 24 THR HB H 1 3.85 0.02 . 1 . . . . . 24 THR HB . 50976 1 225 . 1 . 1 24 24 THR HG21 H 1 0.83 0.02 . 1 . . . . . 24 THR MG . 50976 1 226 . 1 . 1 24 24 THR HG22 H 1 0.83 0.02 . 1 . . . . . 24 THR MG . 50976 1 227 . 1 . 1 24 24 THR HG23 H 1 0.83 0.02 . 1 . . . . . 24 THR MG . 50976 1 228 . 1 . 1 24 24 THR C C 13 171.5 0.2 . 1 . . . . . 24 THR C . 50976 1 229 . 1 . 1 24 24 THR CA C 13 61.02 0.2 . 1 . . . . . 24 THR CA . 50976 1 230 . 1 . 1 24 24 THR CB C 13 69.4 0.2 . 1 . . . . . 24 THR CB . 50976 1 231 . 1 . 1 24 24 THR CG2 C 13 22.3 0.2 . 1 . . . . . 24 THR CG2 . 50976 1 232 . 1 . 1 24 24 THR N N 15 115 0.1 . 1 . . . . . 24 THR N . 50976 1 233 . 1 . 1 25 25 ALA H H 1 8.84 0.02 . 1 . . . . . 25 ALA H . 50976 1 234 . 1 . 1 25 25 ALA HA H 1 4.70 0.02 . 1 . . . . . 25 ALA HA . 50976 1 235 . 1 . 1 25 25 ALA HB1 H 1 0.85 0.02 . 1 . . . . . 25 ALA MB . 50976 1 236 . 1 . 1 25 25 ALA HB2 H 1 0.85 0.02 . 1 . . . . . 25 ALA MB . 50976 1 237 . 1 . 1 25 25 ALA HB3 H 1 0.85 0.02 . 1 . . . . . 25 ALA MB . 50976 1 238 . 1 . 1 25 25 ALA C C 13 172 0.2 . 1 . . . . . 25 ALA C . 50976 1 239 . 1 . 1 25 25 ALA CA C 13 49.4 0.2 . 1 . . . . . 25 ALA CA . 50976 1 240 . 1 . 1 25 25 ALA CB C 13 20.8 0.2 . 1 . . . . . 25 ALA CB . 50976 1 241 . 1 . 1 25 25 ALA N N 15 130.8 0.1 . 1 . . . . . 25 ALA N . 50976 1 242 . 1 . 1 26 26 MET H H 1 8.20 0.02 . 1 . . . . . 26 MET H . 50976 1 243 . 1 . 1 26 26 MET HA H 1 5.02 0.02 . 1 . . . . . 26 MET HA . 50976 1 244 . 1 . 1 26 26 MET HB2 H 1 1.75 0.02 . . . . . . . 26 MET HB2 . 50976 1 245 . 1 . 1 26 26 MET HB3 H 1 1.51 0.02 . . . . . . . 26 MET HB3 . 50976 1 246 . 1 . 1 26 26 MET HG2 H 1 2.21 0.02 . . . . . . . 26 MET HG2 . 50976 1 247 . 1 . 1 26 26 MET HG3 H 1 2.21 0.02 . . . . . . . 26 MET HG3 . 50976 1 248 . 1 . 1 26 26 MET C C 13 171.2 0.2 . 1 . . . . . 26 MET C . 50976 1 249 . 1 . 1 26 26 MET CA C 13 53.5 0.2 . 1 . . . . . 26 MET CA . 50976 1 250 . 1 . 1 26 26 MET CB C 13 34.6 0.2 . 1 . . . . . 26 MET CB . 50976 1 251 . 1 . 1 26 26 MET CG C 13 31.4 0.2 . 1 . . . . . 26 MET CG . 50976 1 252 . 1 . 1 26 26 MET N N 15 119.2 0.1 . 1 . . . . . 26 MET N . 50976 1 253 . 1 . 1 27 27 LEU H H 1 8.65 0.02 . 1 . . . . . 27 LEU H . 50976 1 254 . 1 . 1 27 27 LEU HA H 1 4.18 0.02 . 1 . . . . . 27 LEU HA . 50976 1 255 . 1 . 1 27 27 LEU HB2 H 1 0.94 0.02 . . . . . . . 27 LEU HB2 . 50976 1 256 . 1 . 1 27 27 LEU HB3 H 1 0.85 0.02 . . . . . . . 27 LEU HB3 . 50976 1 257 . 1 . 1 27 27 LEU HD11 H 1 0.22 0.02 . . . . . . . 27 LEU MD1 . 50976 1 258 . 1 . 1 27 27 LEU HD12 H 1 0.22 0.02 . . . . . . . 27 LEU MD1 . 50976 1 259 . 1 . 1 27 27 LEU HD13 H 1 0.22 0.02 . . . . . . . 27 LEU MD1 . 50976 1 260 . 1 . 1 27 27 LEU HD21 H 1 -0.04 0.02 . . . . . . . 27 LEU MD2 . 50976 1 261 . 1 . 1 27 27 LEU HD22 H 1 -0.04 0.02 . . . . . . . 27 LEU MD2 . 50976 1 262 . 1 . 1 27 27 LEU HD23 H 1 -0.04 0.02 . . . . . . . 27 LEU MD2 . 50976 1 263 . 1 . 1 27 27 LEU C C 13 172.1 0.2 . 1 . . . . . 27 LEU C . 50976 1 264 . 1 . 1 27 27 LEU CA C 13 52.3 0.2 . 1 . . . . . 27 LEU CA . 50976 1 265 . 1 . 1 27 27 LEU CB C 13 39.9 0.2 . 1 . . . . . 27 LEU CB . 50976 1 266 . 1 . 1 27 27 LEU CD1 C 13 18.0 0.2 . . . . . . . 27 LEU CD1 . 50976 1 267 . 1 . 1 27 27 LEU CD2 C 13 18.0 0.2 . . . . . . . 27 LEU CD2 . 50976 1 268 . 1 . 1 27 27 LEU N N 15 126.3 0.1 . 1 . . . . . 27 LEU N . 50976 1 269 . 1 . 1 28 28 SER H H 1 8.26 0.02 . 1 . . . . . 28 SER H . 50976 1 270 . 1 . 1 28 28 SER HA H 1 5.64 0.02 . 1 . . . . . 28 SER HA . 50976 1 271 . 1 . 1 28 28 SER HB2 H 1 3.72 0.02 . . . . . . . 28 SER HB2 . 50976 1 272 . 1 . 1 28 28 SER HB3 H 1 3.49 0.02 . . . . . . . 28 SER HB3 . 50976 1 273 . 1 . 1 28 28 SER C C 13 170.2 0.2 . 1 . . . . . 28 SER C . 50976 1 274 . 1 . 1 28 28 SER CA C 13 56.3 0.2 . 1 . . . . . 28 SER CA . 50976 1 275 . 1 . 1 28 28 SER CB C 13 65.2 0.2 . 1 . . . . . 28 SER CB . 50976 1 276 . 1 . 1 28 28 SER N N 15 116.5 0.1 . 1 . . . . . 28 SER N . 50976 1 277 . 1 . 1 29 29 CYS H H 1 9.44 0.02 . 1 . . . . . 29 CYS H . 50976 1 278 . 1 . 1 29 29 CYS HA H 1 5.16 0.02 . 1 . . . . . 29 CYS HA . 50976 1 279 . 1 . 1 29 29 CYS HB2 H 1 3.17 0.02 . . . . . . . 29 CYS HB2 . 50976 1 280 . 1 . 1 29 29 CYS HB3 H 1 2.4 0.02 . . . . . . . 29 CYS HB3 . 50976 1 281 . 1 . 1 29 29 CYS C C 13 168.2 0.2 . 1 . . . . . 29 CYS C . 50976 1 282 . 1 . 1 29 29 CYS CA C 13 55.4 0.2 . 1 . . . . . 29 CYS CA . 50976 1 283 . 1 . 1 29 29 CYS CB C 13 31.3 0.2 . 1 . . . . . 29 CYS CB . 50976 1 284 . 1 . 1 29 29 CYS N N 15 119.2 0.1 . 1 . . . . . 29 CYS N . 50976 1 285 . 1 . 1 30 30 GLU H H 1 8.23 0.02 . 1 . . . . . 30 GLU H . 50976 1 286 . 1 . 1 30 30 GLU HA H 1 5.37 0.02 . 1 . . . . . 30 GLU HA . 50976 1 287 . 1 . 1 30 30 GLU HB2 H 1 1.92 0.02 . . . . . . . 30 GLU HB2 . 50976 1 288 . 1 . 1 30 30 GLU HB3 H 1 1.78 0.02 . . . . . . . 30 GLU HB3 . 50976 1 289 . 1 . 1 30 30 GLU HG2 H 1 2.16 0.02 . . . . . . . 30 GLU HG2 . 50976 1 290 . 1 . 1 30 30 GLU HG3 H 1 2.16 0.02 . . . . . . . 30 GLU HG3 . 50976 1 291 . 1 . 1 30 30 GLU C C 13 175.3 0.2 . 1 . . . . . 30 GLU C . 50976 1 292 . 1 . 1 30 30 GLU CA C 13 53.3 0.2 . 1 . . . . . 30 GLU CA . 50976 1 293 . 1 . 1 30 30 GLU CB C 13 32.1 0.2 . 1 . . . . . 30 GLU CB . 50976 1 294 . 1 . 1 30 30 GLU CG C 13 35.0 0.2 . 1 . . . . . 30 GLU CG . 50976 1 295 . 1 . 1 30 30 GLU N N 15 119.6 0.1 . 1 . . . . . 30 GLU N . 50976 1 296 . 1 . 1 31 31 VAL H H 1 9.05 0.02 . 1 . . . . . 31 VAL H . 50976 1 297 . 1 . 1 31 31 VAL HA H 1 4.65 0.02 . 1 . . . . . 31 VAL HA . 50976 1 298 . 1 . 1 31 31 VAL HB H 1 2.09 0.02 . 1 . . . . . 31 VAL HB . 50976 1 299 . 1 . 1 31 31 VAL HG11 H 1 0.81 0.02 . . . . . . . 31 VAL MG1 . 50976 1 300 . 1 . 1 31 31 VAL HG12 H 1 0.81 0.02 . . . . . . . 31 VAL MG1 . 50976 1 301 . 1 . 1 31 31 VAL HG13 H 1 0.81 0.02 . . . . . . . 31 VAL MG1 . 50976 1 302 . 1 . 1 31 31 VAL HG21 H 1 0.48 0.02 . . . . . . . 31 VAL MG2 . 50976 1 303 . 1 . 1 31 31 VAL HG22 H 1 0.48 0.02 . . . . . . . 31 VAL MG2 . 50976 1 304 . 1 . 1 31 31 VAL HG23 H 1 0.48 0.02 . . . . . . . 31 VAL MG2 . 50976 1 305 . 1 . 1 31 31 VAL C C 13 172.8 0.2 . 1 . . . . . 31 VAL C . 50976 1 306 . 1 . 1 31 31 VAL CA C 13 59.4 0.2 . 1 . . . . . 31 VAL CA . 50976 1 307 . 1 . 1 31 31 VAL CB C 13 32.9 0.2 . 1 . . . . . 31 VAL CB . 50976 1 308 . 1 . 1 31 31 VAL CG1 C 13 18.0 0.2 . . . . . . . 31 VAL CG1 . 50976 1 309 . 1 . 1 31 31 VAL CG2 C 13 20.0 0.2 . . . . . . . 31 VAL CG2 . 50976 1 310 . 1 . 1 31 31 VAL N N 15 116.4 0.1 . 1 . . . . . 31 VAL N . 50976 1 311 . 1 . 1 32 32 ALA H H 1 8.03 0.02 . 1 . . . . . 32 ALA H . 50976 1 312 . 1 . 1 32 32 ALA HA H 1 3.95 0.02 . 1 . . . . . 32 ALA HA . 50976 1 313 . 1 . 1 32 32 ALA HB1 H 1 1.10 0.02 . 1 . . . . . 32 ALA MB . 50976 1 314 . 1 . 1 32 32 ALA HB2 H 1 1.10 0.02 . 1 . . . . . 32 ALA MB . 50976 1 315 . 1 . 1 32 32 ALA HB3 H 1 1.10 0.02 . 1 . . . . . 32 ALA MB . 50976 1 316 . 1 . 1 32 32 ALA C C 13 174.6 0.2 . 1 . . . . . 32 ALA C . 50976 1 317 . 1 . 1 32 32 ALA CA C 13 53.7 0.2 . 1 . . . . . 32 ALA CA . 50976 1 318 . 1 . 1 32 32 ALA CB C 13 18.3 0.2 . 1 . . . . . 32 ALA CB . 50976 1 319 . 1 . 1 32 32 ALA N N 15 121.1 0.1 . 1 . . . . . 32 ALA N . 50976 1 320 . 1 . 1 33 33 GLN H H 1 7.68 0.02 . 1 . . . . . 33 GLN H . 50976 1 321 . 1 . 1 33 33 GLN HA H 1 4.71 0.02 . 1 . . . . . 33 GLN HA . 50976 1 322 . 1 . 1 33 33 GLN HB2 H 1 1.69 0.02 . . . . . . . 33 GLN HB2 . 50976 1 323 . 1 . 1 33 33 GLN HB3 H 1 1.69 0.02 . . . . . . . 33 GLN HB3 . 50976 1 324 . 1 . 1 33 33 GLN HG2 H 1 2.2 0.02 . . . . . . . 33 GLN HG2 . 50976 1 325 . 1 . 1 33 33 GLN HG3 H 1 2.2 0.02 . . . . . . . 33 GLN HG3 . 50976 1 326 . 1 . 1 33 33 GLN C C 13 171.7 0.2 . 1 . . . . . 33 GLN C . 50976 1 327 . 1 . 1 33 33 GLN CA C 13 51.6 0.2 . 1 . . . . . 33 GLN CA . 50976 1 328 . 1 . 1 33 33 GLN CB C 13 29.2 0.2 . 1 . . . . . 33 GLN CB . 50976 1 329 . 1 . 1 33 33 GLN N N 15 114.5 0.1 . 1 . . . . . 33 GLN N . 50976 1 330 . 1 . 1 34 34 PRO HA H 1 4.0 0.02 . 1 . . . . . 34 PRO HA . 50976 1 331 . 1 . 1 34 34 PRO HB2 H 1 2.05 0.02 . . . . . . . 34 PRO HB2 . 50976 1 332 . 1 . 1 34 34 PRO HB3 H 1 2.05 0.02 . . . . . . . 34 PRO HB3 . 50976 1 333 . 1 . 1 34 34 PRO HG2 H 1 1.89 0.02 . . . . . . . 34 PRO HG2 . 50976 1 334 . 1 . 1 34 34 PRO HG3 H 1 1.89 0.02 . . . . . . . 34 PRO HG3 . 50976 1 335 . 1 . 1 34 34 PRO C C 13 174.9 0.2 . 1 . . . . . 34 PRO C . 50976 1 336 . 1 . 1 34 34 PRO CA C 13 64.6 0.2 . 1 . . . . . 34 PRO CA . 50976 1 337 . 1 . 1 34 34 PRO CB C 13 31.1 0.2 . 1 . . . . . 34 PRO CB . 50976 1 338 . 1 . 1 35 35 GLN H H 1 8.52 0.02 . 1 . . . . . 35 GLN H . 50976 1 339 . 1 . 1 35 35 GLN HA H 1 4.18 0.02 . 1 . . . . . 35 GLN HA . 50976 1 340 . 1 . 1 35 35 GLN HB2 H 1 2.02 0.02 . . . . . . . 35 GLN HB2 . 50976 1 341 . 1 . 1 35 35 GLN HB3 H 1 2.02 0.02 . . . . . . . 35 GLN HB3 . 50976 1 342 . 1 . 1 35 35 GLN HG2 H 1 2.25 0.02 . . . . . . . 35 GLN HG2 . 50976 1 343 . 1 . 1 35 35 GLN HG3 H 1 2.36 0.02 . . . . . . . 35 GLN HG3 . 50976 1 344 . 1 . 1 35 35 GLN C C 13 174.0 0.2 . 1 . . . . . 35 GLN C . 50976 1 345 . 1 . 1 35 35 GLN CA C 13 55.9 0.2 . 1 . . . . . 35 GLN CA . 50976 1 346 . 1 . 1 35 35 GLN CB C 13 26.6 0.2 . 1 . . . . . 35 GLN CB . 50976 1 347 . 1 . 1 35 35 GLN CG C 13 32.8 0.2 . 1 . . . . . 35 GLN CG . 50976 1 348 . 1 . 1 35 35 GLN N N 15 116.5 0.1 . 1 . . . . . 35 GLN N . 50976 1 349 . 1 . 1 36 36 THR H H 1 7.23 0.02 . 1 . . . . . 36 THR H . 50976 1 350 . 1 . 1 36 36 THR HA H 1 3.71 0.02 . 1 . . . . . 36 THR HA . 50976 1 351 . 1 . 1 36 36 THR HB H 1 4.11 0.02 . 1 . . . . . 36 THR HB . 50976 1 352 . 1 . 1 36 36 THR HG21 H 1 0.76 0.02 . 1 . . . . . 36 THR MG . 50976 1 353 . 1 . 1 36 36 THR HG22 H 1 0.76 0.02 . 1 . . . . . 36 THR MG . 50976 1 354 . 1 . 1 36 36 THR HG23 H 1 0.76 0.02 . 1 . . . . . 36 THR MG . 50976 1 355 . 1 . 1 36 36 THR C C 13 170.7 0.2 . 1 . . . . . 36 THR C . 50976 1 356 . 1 . 1 36 36 THR CA C 13 64.1 0.2 . 1 . . . . . 36 THR CA . 50976 1 357 . 1 . 1 36 36 THR CB C 13 68.6 0.2 . 1 . . . . . 36 THR CB . 50976 1 358 . 1 . 1 36 36 THR CG2 C 13 21.3 0.2 . 1 . . . . . 36 THR CG2 . 50976 1 359 . 1 . 1 36 36 THR N N 15 118.2 0.1 . 1 . . . . . 36 THR N . 50976 1 360 . 1 . 1 37 37 GLU H H 1 8.72 0.02 . 1 . . . . . 37 GLU H . 50976 1 361 . 1 . 1 37 37 GLU HA H 1 4.52 0.02 . 1 . . . . . 37 GLU HA . 50976 1 362 . 1 . 1 37 37 GLU HB2 H 1 1.98 0.02 . . . . . . . 37 GLU HB2 . 50976 1 363 . 1 . 1 37 37 GLU HB3 H 1 1.89 0.02 . . . . . . . 37 GLU HB3 . 50976 1 364 . 1 . 1 37 37 GLU HG2 H 1 2.3 0.02 . . . . . . . 37 GLU HG2 . 50976 1 365 . 1 . 1 37 37 GLU HG3 H 1 2.15 0.02 . . . . . . . 37 GLU HG3 . 50976 1 366 . 1 . 1 37 37 GLU C C 13 173.4 0.2 . 1 . . . . . 37 GLU C . 50976 1 367 . 1 . 1 37 37 GLU CA C 13 54.6 0.2 . 1 . . . . . 37 GLU CA . 50976 1 368 . 1 . 1 37 37 GLU CB C 13 29.8 0.2 . 1 . . . . . 37 GLU CB . 50976 1 369 . 1 . 1 37 37 GLU CG C 13 35.6 0.2 . 1 . . . . . 37 GLU CG . 50976 1 370 . 1 . 1 37 37 GLU N N 15 130.5 0.1 . 1 . . . . . 37 GLU N . 50976 1 371 . 1 . 1 38 38 VAL H H 1 8.62 0.02 . 1 . . . . . 38 VAL H . 50976 1 372 . 1 . 1 38 38 VAL HA H 1 5.02 0.02 . 1 . . . . . 38 VAL HA . 50976 1 373 . 1 . 1 38 38 VAL HB H 1 1.98 0.02 . 1 . . . . . 38 VAL HB . 50976 1 374 . 1 . 1 38 38 VAL HG11 H 1 0.43 0.02 . . . . . . . 38 VAL MG1 . 50976 1 375 . 1 . 1 38 38 VAL HG12 H 1 0.43 0.02 . . . . . . . 38 VAL MG1 . 50976 1 376 . 1 . 1 38 38 VAL HG13 H 1 0.43 0.02 . . . . . . . 38 VAL MG1 . 50976 1 377 . 1 . 1 38 38 VAL HG21 H 1 0.43 0.02 . . . . . . . 38 VAL MG2 . 50976 1 378 . 1 . 1 38 38 VAL HG22 H 1 0.43 0.02 . . . . . . . 38 VAL MG2 . 50976 1 379 . 1 . 1 38 38 VAL HG23 H 1 0.43 0.02 . . . . . . . 38 VAL MG2 . 50976 1 380 . 1 . 1 38 38 VAL C C 13 172.8 0.2 . 1 . . . . . 38 VAL C . 50976 1 381 . 1 . 1 38 38 VAL CA C 13 57.7 0.2 . 1 . . . . . 38 VAL CA . 50976 1 382 . 1 . 1 38 38 VAL CB C 13 33.0 0.2 . 1 . . . . . 38 VAL CB . 50976 1 383 . 1 . 1 38 38 VAL CG1 C 13 21.2 0.2 . . . . . . . 38 VAL CG1 . 50976 1 384 . 1 . 1 38 38 VAL CG2 C 13 18.0 0.2 . . . . . . . 38 VAL CG2 . 50976 1 385 . 1 . 1 38 38 VAL N N 15 117.2 0.1 . 1 . . . . . 38 VAL N . 50976 1 386 . 1 . 1 39 39 THR H H 1 8.74 0.02 . 1 . . . . . 39 THR H . 50976 1 387 . 1 . 1 39 39 THR HA H 1 4.45 0.02 . 1 . . . . . 39 THR HA . 50976 1 388 . 1 . 1 39 39 THR HB H 1 3.86 0.02 . 1 . . . . . 39 THR HB . 50976 1 389 . 1 . 1 39 39 THR HG21 H 1 0.95 0.02 . 1 . . . . . 39 THR MG . 50976 1 390 . 1 . 1 39 39 THR HG22 H 1 0.95 0.02 . 1 . . . . . 39 THR MG . 50976 1 391 . 1 . 1 39 39 THR HG23 H 1 0.95 0.02 . 1 . . . . . 39 THR MG . 50976 1 392 . 1 . 1 39 39 THR C C 13 172.8 0.2 . 1 . . . . . 39 THR C . 50976 1 393 . 1 . 1 39 39 THR CA C 13 61.6 0.2 . 1 . . . . . 39 THR CA . 50976 1 394 . 1 . 1 39 39 THR CB C 13 70.8 0.2 . 1 . . . . . 39 THR CB . 50976 1 395 . 1 . 1 39 39 THR CG2 C 13 21.0 0.2 . 1 . . . . . 39 THR CG2 . 50976 1 396 . 1 . 1 39 39 THR N N 15 118.0 0.1 . 1 . . . . . 39 THR N . 50976 1 397 . 1 . 1 40 40 TRP H H 1 8.87 0.02 . 1 . . . . . 40 TRP H . 50976 1 398 . 1 . 1 40 40 TRP HA H 1 5.73 0.02 . 1 . . . . . 40 TRP HA . 50976 1 399 . 1 . 1 40 40 TRP HB2 H 1 3.10 0.02 . . . . . . . 40 TRP HB2 . 50976 1 400 . 1 . 1 40 40 TRP HB3 H 1 2.87 0.02 . . . . . . . 40 TRP HB3 . 50976 1 401 . 1 . 1 40 40 TRP C C 13 172.8 0.2 . 1 . . . . . 40 TRP C . 50976 1 402 . 1 . 1 40 40 TRP CA C 13 55.8 0.2 . 1 . . . . . 40 TRP CA . 50976 1 403 . 1 . 1 40 40 TRP CB C 13 31.4 0.2 . 1 . . . . . 40 TRP CB . 50976 1 404 . 1 . 1 40 40 TRP N N 15 126.1 0.1 . 1 . . . . . 40 TRP N . 50976 1 405 . 1 . 1 41 41 TYR H H 1 9.56 0.02 . 1 . . . . . 41 TYR H . 50976 1 406 . 1 . 1 41 41 TYR HA H 1 5.08 0.02 . 1 . . . . . 41 TYR HA . 50976 1 407 . 1 . 1 41 41 TYR HB2 H 1 2.98 0.02 . . . . . . . 41 TYR HB2 . 50976 1 408 . 1 . 1 41 41 TYR HB3 H 1 2.31 0.02 . . . . . . . 41 TYR HB3 . 50976 1 409 . 1 . 1 41 41 TYR C C 13 172.8 0.2 . 1 . . . . . 41 TYR C . 50976 1 410 . 1 . 1 41 41 TYR CA C 13 56.1 0.2 . 1 . . . . . 41 TYR CA . 50976 1 411 . 1 . 1 41 41 TYR CB C 13 42.5 0.2 . 1 . . . . . 41 TYR CB . 50976 1 412 . 1 . 1 41 41 TYR N N 15 119.7 0.1 . 1 . . . . . 41 TYR N . 50976 1 413 . 1 . 1 42 42 LYS H H 1 8.85 0.02 . 1 . . . . . 42 LYS H . 50976 1 414 . 1 . 1 42 42 LYS HA H 1 4.60 0.02 . 1 . . . . . 42 LYS HA . 50976 1 415 . 1 . 1 42 42 LYS HB2 H 1 1.51 0.02 . . . . . . . 42 LYS HB2 . 50976 1 416 . 1 . 1 42 42 LYS HB3 H 1 1.51 0.02 . . . . . . . 42 LYS HB3 . 50976 1 417 . 1 . 1 42 42 LYS HG2 H 1 1.24 0.02 . . . . . . . 42 LYS HG2 . 50976 1 418 . 1 . 1 42 42 LYS HG3 H 1 1.24 0.02 . . . . . . . 42 LYS HG3 . 50976 1 419 . 1 . 1 42 42 LYS C C 13 174.1 0.2 . 1 . . . . . 42 LYS C . 50976 1 420 . 1 . 1 42 42 LYS CA C 13 54.8 0.2 . 1 . . . . . 42 LYS CA . 50976 1 421 . 1 . 1 42 42 LYS CB C 13 35.3 0.2 . 1 . . . . . 42 LYS CB . 50976 1 422 . 1 . 1 42 42 LYS CG C 13 24.8 0.2 . 1 . . . . . 42 LYS CG . 50976 1 423 . 1 . 1 42 42 LYS N N 15 118.9 0.1 . 1 . . . . . 42 LYS N . 50976 1 424 . 1 . 1 43 43 ASP H H 1 9.78 0.02 . 1 . . . . . 43 ASP H . 50976 1 425 . 1 . 1 43 43 ASP HA H 1 4.36 0.02 . 1 . . . . . 43 ASP HA . 50976 1 426 . 1 . 1 43 43 ASP HB2 H 1 2.83 0.02 . . . . . . . 43 ASP HB2 . 50976 1 427 . 1 . 1 43 43 ASP HB3 H 1 2.55 0.02 . . . . . . . 43 ASP HB3 . 50976 1 428 . 1 . 1 43 43 ASP C C 13 173.4 0.2 . 1 . . . . . 43 ASP C . 50976 1 429 . 1 . 1 43 43 ASP CA C 13 55.2 0.2 . 1 . . . . . 43 ASP CA . 50976 1 430 . 1 . 1 43 43 ASP CB C 13 39.6 0.2 . 1 . . . . . 43 ASP CB . 50976 1 431 . 1 . 1 43 43 ASP N N 15 130.2 0.1 . 1 . . . . . 43 ASP N . 50976 1 432 . 1 . 1 44 44 GLY H H 1 8.46 0.02 . 1 . . . . . 44 GLY H . 50976 1 433 . 1 . 1 44 44 GLY HA2 H 1 4.09 0.02 . . . . . . . 44 GLY HA2 . 50976 1 434 . 1 . 1 44 44 GLY HA3 H 1 3.48 0.02 . . . . . . . 44 GLY HA3 . 50976 1 435 . 1 . 1 44 44 GLY C C 13 171.2 0.2 . 1 . . . . . 44 GLY C . 50976 1 436 . 1 . 1 44 44 GLY CA C 13 44.6 0.2 . 1 . . . . . 44 GLY CA . 50976 1 437 . 1 . 1 44 44 GLY N N 15 102.1 0.1 . 1 . . . . . 44 GLY N . 50976 1 438 . 1 . 1 45 45 LYS H H 1 8.08 0.02 . 1 . . . . . 45 LYS H . 50976 1 439 . 1 . 1 45 45 LYS HA H 1 4.70 0.02 . 1 . . . . . 45 LYS HA . 50976 1 440 . 1 . 1 45 45 LYS HB2 H 1 1.84 0.02 . . . . . . . 45 LYS HB2 . 50976 1 441 . 1 . 1 45 45 LYS HB3 H 1 1.75 0.02 . . . . . . . 45 LYS HB3 . 50976 1 442 . 1 . 1 45 45 LYS HG2 H 1 1.4 0.02 . . . . . . . 45 LYS HG2 . 50976 1 443 . 1 . 1 45 45 LYS HG3 H 1 1.4 0.02 . . . . . . . 45 LYS HG3 . 50976 1 444 . 1 . 1 45 45 LYS HE2 H 1 3.0 0.02 . . . . . . . 45 LYS HE2 . 50976 1 445 . 1 . 1 45 45 LYS HE3 H 1 3.0 0.02 . . . . . . . 45 LYS HE3 . 50976 1 446 . 1 . 1 45 45 LYS C C 13 173.0 0.2 . 1 . . . . . 45 LYS C . 50976 1 447 . 1 . 1 45 45 LYS CA C 13 53.9 0.2 . 1 . . . . . 45 LYS CA . 50976 1 448 . 1 . 1 45 45 LYS CB C 13 33.1 0.2 . 1 . . . . . 45 LYS CB . 50976 1 449 . 1 . 1 45 45 LYS CG C 13 24.3 0.2 . 1 . . . . . 45 LYS CG . 50976 1 450 . 1 . 1 45 45 LYS N N 15 121.9 0.1 . 1 . . . . . 45 LYS N . 50976 1 451 . 1 . 1 46 46 LYS H H 1 8.78 0.02 . 1 . . . . . 46 LYS H . 50976 1 452 . 1 . 1 46 46 LYS HA H 1 3.48 0.02 . 1 . . . . . 46 LYS HA . 50976 1 453 . 1 . 1 46 46 LYS HB2 H 1 1.52 0.02 . . . . . . . 46 LYS HB2 . 50976 1 454 . 1 . 1 46 46 LYS HB3 H 1 1.52 0.02 . . . . . . . 46 LYS HB3 . 50976 1 455 . 1 . 1 46 46 LYS HG2 H 1 1.4 0.02 . . . . . . . 46 LYS HG2 . 50976 1 456 . 1 . 1 46 46 LYS HG3 H 1 1.4 0.02 . . . . . . . 46 LYS HG3 . 50976 1 457 . 1 . 1 46 46 LYS HD2 H 1 1.3 0.02 . . . . . . . 46 LYS HD2 . 50976 1 458 . 1 . 1 46 46 LYS HD3 H 1 1.3 0.02 . . . . . . . 46 LYS HD3 . 50976 1 459 . 1 . 1 46 46 LYS HE2 H 1 2.94 0.02 . . . . . . . 46 LYS HE2 . 50976 1 460 . 1 . 1 46 46 LYS HE3 H 1 2.94 0.02 . . . . . . . 46 LYS HE3 . 50976 1 461 . 1 . 1 46 46 LYS C C 13 174.3 0.2 . 1 . . . . . 46 LYS C . 50976 1 462 . 1 . 1 46 46 LYS CA C 13 57.3 0.2 . 1 . . . . . 46 LYS CA . 50976 1 463 . 1 . 1 46 46 LYS CB C 13 31.9 0.2 . 1 . . . . . 46 LYS CB . 50976 1 464 . 1 . 1 46 46 LYS CG C 13 24.3 0.2 . 1 . . . . . 46 LYS CG . 50976 1 465 . 1 . 1 46 46 LYS N N 15 126.8 0.1 . 1 . . . . . 46 LYS N . 50976 1 466 . 1 . 1 47 47 LEU H H 1 8.53 0.02 . 1 . . . . . 47 LEU H . 50976 1 467 . 1 . 1 47 47 LEU HA H 1 4.46 0.02 . 1 . . . . . 47 LEU HA . 50976 1 468 . 1 . 1 47 47 LEU HB2 H 1 1.45 0.02 . . . . . . . 47 LEU HB2 . 50976 1 469 . 1 . 1 47 47 LEU HB3 H 1 1.13 0.02 . . . . . . . 47 LEU HB3 . 50976 1 470 . 1 . 1 47 47 LEU HD11 H 1 0.86 0.02 . . . . . . . 47 LEU MD1 . 50976 1 471 . 1 . 1 47 47 LEU HD12 H 1 0.86 0.02 . . . . . . . 47 LEU MD1 . 50976 1 472 . 1 . 1 47 47 LEU HD13 H 1 0.86 0.02 . . . . . . . 47 LEU MD1 . 50976 1 473 . 1 . 1 47 47 LEU HD21 H 1 0.86 0.02 . . . . . . . 47 LEU MD2 . 50976 1 474 . 1 . 1 47 47 LEU HD22 H 1 0.86 0.02 . . . . . . . 47 LEU MD2 . 50976 1 475 . 1 . 1 47 47 LEU HD23 H 1 0.86 0.02 . . . . . . . 47 LEU MD2 . 50976 1 476 . 1 . 1 47 47 LEU C C 13 173.7 0.2 . 1 . . . . . 47 LEU C . 50976 1 477 . 1 . 1 47 47 LEU CA C 13 53.6 0.2 . 1 . . . . . 47 LEU CA . 50976 1 478 . 1 . 1 47 47 LEU CB C 13 43.7 0.2 . 1 . . . . . 47 LEU CB . 50976 1 479 . 1 . 1 47 47 LEU CD1 C 13 26.2 0.2 . . . . . . . 47 LEU CD1 . 50976 1 480 . 1 . 1 47 47 LEU CD2 C 13 22.8 0.2 . . . . . . . 47 LEU CD2 . 50976 1 481 . 1 . 1 47 47 LEU N N 15 128.0 0.1 . 1 . . . . . 47 LEU N . 50976 1 482 . 1 . 1 48 48 SER H H 1 8.08 0.02 . 1 . . . . . 48 SER H . 50976 1 483 . 1 . 1 48 48 SER HA H 1 3.67 0.02 . 1 . . . . . 48 SER HA . 50976 1 484 . 1 . 1 48 48 SER HB2 H 1 3.81 0.02 . . . . . . . 48 SER HB2 . 50976 1 485 . 1 . 1 48 48 SER HB3 H 1 3.81 0.02 . . . . . . . 48 SER HB3 . 50976 1 486 . 1 . 1 48 48 SER C C 13 170.4 0.2 . 1 . . . . . 48 SER C . 50976 1 487 . 1 . 1 48 48 SER CA C 13 56.2 0.2 . 1 . . . . . 48 SER CA . 50976 1 488 . 1 . 1 48 48 SER CB C 13 64.5 0.2 . 1 . . . . . 48 SER CB . 50976 1 489 . 1 . 1 48 48 SER N N 15 116.2 0.1 . 1 . . . . . 48 SER N . 50976 1 490 . 1 . 1 49 49 SER H H 1 8.44 0.02 . 1 . . . . . 49 SER H . 50976 1 491 . 1 . 1 49 49 SER HA H 1 4.02 0.02 . 1 . . . . . 49 SER HA . 50976 1 492 . 1 . 1 49 49 SER HB2 H 1 3.94 0.02 . . . . . . . 49 SER HB2 . 50976 1 493 . 1 . 1 49 49 SER HB3 H 1 3.94 0.02 . . . . . . . 49 SER HB3 . 50976 1 494 . 1 . 1 49 49 SER C C 13 171.6 0.2 . 1 . . . . . 49 SER C . 50976 1 495 . 1 . 1 49 49 SER CA C 13 58.3 0.2 . 1 . . . . . 49 SER CA . 50976 1 496 . 1 . 1 49 49 SER CB C 13 63.2 0.2 . 1 . . . . . 49 SER CB . 50976 1 497 . 1 . 1 49 49 SER N N 15 117.7 0.1 . 1 . . . . . 49 SER N . 50976 1 498 . 1 . 1 50 50 SER H H 1 9.59 0.02 . 1 . . . . . 50 SER H . 50976 1 499 . 1 . 1 50 50 SER HA H 1 4.74 0.02 . 1 . . . . . 50 SER HA . 50976 1 500 . 1 . 1 50 50 SER HB2 H 1 4.61 0.02 . . . . . . . 50 SER HB2 . 50976 1 501 . 1 . 1 50 50 SER HB3 H 1 4.61 0.02 . . . . . . . 50 SER HB3 . 50976 1 502 . 1 . 1 50 50 SER C C 13 171.5 0.2 . 1 . . . . . 50 SER C . 50976 1 503 . 1 . 1 50 50 SER CA C 13 56.7 0.2 . 1 . . . . . 50 SER CA . 50976 1 504 . 1 . 1 50 50 SER CB C 13 65.4 0.2 . 1 . . . . . 50 SER CB . 50976 1 505 . 1 . 1 50 50 SER N N 15 120.1 0.1 . 1 . . . . . 50 SER N . 50976 1 506 . 1 . 1 51 51 SER HA H 1 3.86 0.02 . 1 . . . . . 51 SER HA . 50976 1 507 . 1 . 1 51 51 SER C C 13 172.1 0.2 . 1 . . . . . 51 SER C . 50976 1 508 . 1 . 1 51 51 SER CA C 13 60.5 0.2 . 1 . . . . . 51 SER CA . 50976 1 509 . 1 . 1 51 51 SER CB C 13 62.0 0.2 . 1 . . . . . 51 SER CB . 50976 1 510 . 1 . 1 52 52 LYS H H 1 7.82 0.02 . 1 . . . . . 52 LYS H . 50976 1 511 . 1 . 1 52 52 LYS HA H 1 4.23 0.02 . 1 . . . . . 52 LYS HA . 50976 1 512 . 1 . 1 52 52 LYS HB2 H 1 1.70 0.02 . . . . . . . 52 LYS HB2 . 50976 1 513 . 1 . 1 52 52 LYS HB3 H 1 1.61 0.02 . . . . . . . 52 LYS HB3 . 50976 1 514 . 1 . 1 52 52 LYS HG2 H 1 1.27 0.02 . . . . . . . 52 LYS HG2 . 50976 1 515 . 1 . 1 52 52 LYS HG3 H 1 1.27 0.02 . . . . . . . 52 LYS HG3 . 50976 1 516 . 1 . 1 52 52 LYS HD2 H 1 1.41 0.02 . . . . . . . 52 LYS HD2 . 50976 1 517 . 1 . 1 52 52 LYS HD3 H 1 1.41 0.02 . . . . . . . 52 LYS HD3 . 50976 1 518 . 1 . 1 52 52 LYS C C 13 171.8 0.2 . 1 . . . . . 52 LYS C . 50976 1 519 . 1 . 1 52 52 LYS CA C 13 56.3 0.2 . 1 . . . . . 52 LYS CA . 50976 1 520 . 1 . 1 52 52 LYS CB C 13 34.0 0.2 . 1 . . . . . 52 LYS CB . 50976 1 521 . 1 . 1 52 52 LYS CG C 13 24.4 0.2 . 1 . . . . . 52 LYS CG . 50976 1 522 . 1 . 1 52 52 LYS N N 15 120.0 0.1 . 1 . . . . . 52 LYS N . 50976 1 523 . 1 . 1 53 53 VAL H H 1 7.08 0.02 . 1 . . . . . 53 VAL H . 50976 1 524 . 1 . 1 53 53 VAL HA H 1 4.89 0.02 . 1 . . . . . 53 VAL HA . 50976 1 525 . 1 . 1 53 53 VAL HB H 1 1.94 0.02 . 1 . . . . . 53 VAL HB . 50976 1 526 . 1 . 1 53 53 VAL HG11 H 1 0.80 0.02 . . . . . . . 53 VAL MG1 . 50976 1 527 . 1 . 1 53 53 VAL HG12 H 1 0.80 0.02 . . . . . . . 53 VAL MG1 . 50976 1 528 . 1 . 1 53 53 VAL HG13 H 1 0.80 0.02 . . . . . . . 53 VAL MG1 . 50976 1 529 . 1 . 1 53 53 VAL HG21 H 1 0.65 0.02 . . . . . . . 53 VAL MG2 . 50976 1 530 . 1 . 1 53 53 VAL HG22 H 1 0.65 0.02 . . . . . . . 53 VAL MG2 . 50976 1 531 . 1 . 1 53 53 VAL HG23 H 1 0.65 0.02 . . . . . . . 53 VAL MG2 . 50976 1 532 . 1 . 1 53 53 VAL C C 13 171.1 0.2 . 1 . . . . . 53 VAL C . 50976 1 533 . 1 . 1 53 53 VAL CA C 13 60.2 0.2 . 1 . . . . . 53 VAL CA . 50976 1 534 . 1 . 1 53 53 VAL CB C 13 33.3 0.2 . 1 . . . . . 53 VAL CB . 50976 1 535 . 1 . 1 53 53 VAL CG1 C 13 21.7 0.2 . . . . . . . 53 VAL CG1 . 50976 1 536 . 1 . 1 53 53 VAL CG2 C 13 20.1 0.2 . . . . . . . 53 VAL CG2 . 50976 1 537 . 1 . 1 53 53 VAL N N 15 118.3 0.1 . 1 . . . . . 53 VAL N . 50976 1 538 . 1 . 1 54 54 ARG H H 1 8.63 0.02 . 1 . . . . . 54 ARG H . 50976 1 539 . 1 . 1 54 54 ARG HA H 1 4.69 0.02 . 1 . . . . . 54 ARG HA . 50976 1 540 . 1 . 1 54 54 ARG HB2 H 1 1.61 0.02 . . . . . . . 54 ARG HB2 . 50976 1 541 . 1 . 1 54 54 ARG HB3 H 1 1.61 0.02 . . . . . . . 54 ARG HB3 . 50976 1 542 . 1 . 1 54 54 ARG HG2 H 1 1.38 0.02 . . . . . . . 54 ARG HG2 . 50976 1 543 . 1 . 1 54 54 ARG HG3 H 1 1.38 0.02 . . . . . . . 54 ARG HG3 . 50976 1 544 . 1 . 1 54 54 ARG C C 13 171.2 0.2 . 1 . . . . . 54 ARG C . 50976 1 545 . 1 . 1 54 54 ARG CA C 13 53.5 0.2 . 1 . . . . . 54 ARG CA . 50976 1 546 . 1 . 1 54 54 ARG CB C 13 32.7 0.2 . 1 . . . . . 54 ARG CB . 50976 1 547 . 1 . 1 54 54 ARG CG C 13 26.7 0.2 . 1 . . . . . 54 ARG CG . 50976 1 548 . 1 . 1 54 54 ARG N N 15 123.4 0.1 . 1 . . . . . 54 ARG N . 50976 1 549 . 1 . 1 55 55 MET H H 1 8.39 0.02 . 1 . . . . . 55 MET H . 50976 1 550 . 1 . 1 55 55 MET HA H 1 4.88 0.02 . 1 . . . . . 55 MET HA . 50976 1 551 . 1 . 1 55 55 MET HB2 H 1 1.85 0.02 . . . . . . . 55 MET HB2 . 50976 1 552 . 1 . 1 55 55 MET HB3 H 1 2.07 0.02 . . . . . . . 55 MET HB3 . 50976 1 553 . 1 . 1 55 55 MET HG2 H 1 2.50 0.02 . . . . . . . 55 MET HG2 . 50976 1 554 . 1 . 1 55 55 MET HG3 H 1 2.50 0.02 . . . . . . . 55 MET HG3 . 50976 1 555 . 1 . 1 55 55 MET C C 13 173.1 0.2 . 1 . . . . . 55 MET C . 50976 1 556 . 1 . 1 55 55 MET CA C 13 54.6 0.2 . 1 . . . . . 55 MET CA . 50976 1 557 . 1 . 1 55 55 MET CB C 13 32.8 0.2 . 1 . . . . . 55 MET CB . 50976 1 558 . 1 . 1 55 55 MET CG C 13 34.7 0.2 . 1 . . . . . 55 MET CG . 50976 1 559 . 1 . 1 55 55 MET N N 15 122.4 0.1 . 1 . . . . . 55 MET N . 50976 1 560 . 1 . 1 56 56 GLU H H 1 9.35 0.02 . 1 . . . . . 56 GLU H . 50976 1 561 . 1 . 1 56 56 GLU HA H 1 4.63 0.02 . 1 . . . . . 56 GLU HA . 50976 1 562 . 1 . 1 56 56 GLU HB2 H 1 1.79 0.02 . . . . . . . 56 GLU HB2 . 50976 1 563 . 1 . 1 56 56 GLU HB3 H 1 1.79 0.02 . . . . . . . 56 GLU HB3 . 50976 1 564 . 1 . 1 56 56 GLU HG2 H 1 1.94 0.02 . . . . . . . 56 GLU HG2 . 50976 1 565 . 1 . 1 56 56 GLU HG3 H 1 1.94 0.02 . . . . . . . 56 GLU HG3 . 50976 1 566 . 1 . 1 56 56 GLU C C 13 173.3 0.2 . 1 . . . . . 56 GLU C . 50976 1 567 . 1 . 1 56 56 GLU CA C 13 54.5 0.2 . 1 . . . . . 56 GLU CA . 50976 1 568 . 1 . 1 56 56 GLU CB C 13 32.7 0.2 . 1 . . . . . 56 GLU CB . 50976 1 569 . 1 . 1 56 56 GLU CG C 13 35.6 0.2 . 1 . . . . . 56 GLU CG . 50976 1 570 . 1 . 1 56 56 GLU N N 15 122.2 0.1 . 1 . . . . . 56 GLU N . 50976 1 571 . 1 . 1 57 57 VAL H H 1 8.53 0.02 . 1 . . . . . 57 VAL H . 50976 1 572 . 1 . 1 57 57 VAL HA H 1 4.36 0.02 . 1 . . . . . 57 VAL HA . 50976 1 573 . 1 . 1 57 57 VAL HB H 1 1.94 0.02 . 1 . . . . . 57 VAL HB . 50976 1 574 . 1 . 1 57 57 VAL HG11 H 1 0.85 0.02 . . . . . . . 57 VAL MG1 . 50976 1 575 . 1 . 1 57 57 VAL HG12 H 1 0.85 0.02 . . . . . . . 57 VAL MG1 . 50976 1 576 . 1 . 1 57 57 VAL HG13 H 1 0.85 0.02 . . . . . . . 57 VAL MG1 . 50976 1 577 . 1 . 1 57 57 VAL HG21 H 1 0.85 0.02 . . . . . . . 57 VAL MG2 . 50976 1 578 . 1 . 1 57 57 VAL HG22 H 1 0.85 0.02 . . . . . . . 57 VAL MG2 . 50976 1 579 . 1 . 1 57 57 VAL HG23 H 1 0.85 0.02 . . . . . . . 57 VAL MG2 . 50976 1 580 . 1 . 1 57 57 VAL C C 13 172.4 0.2 . 1 . . . . . 57 VAL C . 50976 1 581 . 1 . 1 57 57 VAL CA C 13 60.9 0.2 . 1 . . . . . 57 VAL CA . 50976 1 582 . 1 . 1 57 57 VAL CB C 13 34.1 0.2 . 1 . . . . . 57 VAL CB . 50976 1 583 . 1 . 1 57 57 VAL CG1 C 13 19.4 0.2 . . . . . . . 57 VAL CG1 . 50976 1 584 . 1 . 1 57 57 VAL CG2 C 13 20.2 0.2 . . . . . . . 57 VAL CG2 . 50976 1 585 . 1 . 1 57 57 VAL N N 15 124.2 0.1 . 1 . . . . . 57 VAL N . 50976 1 586 . 1 . 1 58 58 LYS H H 1 7.95 0.02 . 1 . . . . . 58 LYS H . 50976 1 587 . 1 . 1 58 58 LYS HA H 1 4.46 0.02 . 1 . . . . . 58 LYS HA . 50976 1 588 . 1 . 1 58 58 LYS HB2 H 1 1.6 0.02 . . . . . . . 58 LYS HB2 . 50976 1 589 . 1 . 1 58 58 LYS HB3 H 1 1.63 0.02 . . . . . . . 58 LYS HB3 . 50976 1 590 . 1 . 1 58 58 LYS HG2 H 1 1.26 0.02 . . . . . . . 58 LYS HG2 . 50976 1 591 . 1 . 1 58 58 LYS HG3 H 1 1.26 0.02 . . . . . . . 58 LYS HG3 . 50976 1 592 . 1 . 1 58 58 LYS HD2 H 1 1.52 0.02 . . . . . . . 58 LYS HD2 . 50976 1 593 . 1 . 1 58 58 LYS HD3 H 1 1.52 0.02 . . . . . . . 58 LYS HD3 . 50976 1 594 . 1 . 1 58 58 LYS C C 13 173.1 0.2 . 1 . . . . . 58 LYS C . 50976 1 595 . 1 . 1 58 58 LYS CA C 13 54.8 0.2 . 1 . . . . . 58 LYS CA . 50976 1 596 . 1 . 1 58 58 LYS CB C 13 33.2 0.2 . 1 . . . . . 58 LYS CB . 50976 1 597 . 1 . 1 58 58 LYS N N 15 127.2 0.1 . 1 . . . . . 58 LYS N . 50976 1 598 . 1 . 1 59 59 GLY H H 1 7.76 0.02 . 1 . . . . . 59 GLY H . 50976 1 599 . 1 . 1 59 59 GLY HA2 H 1 3.4 0.02 . . . . . . . 59 GLY HA2 . 50976 1 600 . 1 . 1 59 59 GLY HA3 H 1 3.4 0.02 . . . . . . . 59 GLY HA3 . 50976 1 601 . 1 . 1 60 60 CYS H H 1 7.58 0.02 . 1 . . . . . 60 CYS H . 50976 1 602 . 1 . 1 60 60 CYS HA H 1 4.14 0.02 . 1 . . . . . 60 CYS HA . 50976 1 603 . 1 . 1 60 60 CYS HB2 H 1 2.87 0.02 . . . . . . . 60 CYS HB2 . 50976 1 604 . 1 . 1 60 60 CYS HB3 H 1 3.67 0.02 . . . . . . . 60 CYS HB3 . 50976 1 605 . 1 . 1 60 60 CYS C C 13 169.8 0.2 . 1 . . . . . 60 CYS C . 50976 1 606 . 1 . 1 60 60 CYS CA C 13 60.5 0.2 . 1 . . . . . 60 CYS CA . 50976 1 607 . 1 . 1 60 60 CYS CB C 13 26.7 0.2 . 1 . . . . . 60 CYS CB . 50976 1 608 . 1 . 1 61 61 THR H H 1 8.77 0.02 . 1 . . . . . 61 THR H . 50976 1 609 . 1 . 1 61 61 THR HA H 1 4.67 0.02 . 1 . . . . . 61 THR HA . 50976 1 610 . 1 . 1 61 61 THR HB H 1 4.23 0.02 . 1 . . . . . 61 THR HB . 50976 1 611 . 1 . 1 61 61 THR HG21 H 1 1.15 0.02 . 1 . . . . . 61 THR MG . 50976 1 612 . 1 . 1 61 61 THR HG22 H 1 1.15 0.02 . 1 . . . . . 61 THR MG . 50976 1 613 . 1 . 1 61 61 THR HG23 H 1 1.15 0.02 . 1 . . . . . 61 THR MG . 50976 1 614 . 1 . 1 61 61 THR C C 13 173.4 0.2 . 1 . . . . . 61 THR C . 50976 1 615 . 1 . 1 61 61 THR CA C 13 63.5 0.2 . 1 . . . . . 61 THR CA . 50976 1 616 . 1 . 1 61 61 THR CB C 13 68.0 0.2 . 1 . . . . . 61 THR CB . 50976 1 617 . 1 . 1 61 61 THR CG2 C 13 22.0 0.2 . 1 . . . . . 61 THR CG2 . 50976 1 618 . 1 . 1 61 61 THR N N 15 119.5 0.1 . 1 . . . . . 61 THR N . 50976 1 619 . 1 . 1 62 62 ARG H H 1 9.56 0.02 . 1 . . . . . 62 ARG H . 50976 1 620 . 1 . 1 62 62 ARG HA H 1 5.12 0.02 . 1 . . . . . 62 ARG HA . 50976 1 621 . 1 . 1 62 62 ARG HB2 H 1 2.15 0.02 . . . . . . . 62 ARG HB2 . 50976 1 622 . 1 . 1 62 62 ARG HB3 H 1 2.15 0.02 . . . . . . . 62 ARG HB3 . 50976 1 623 . 1 . 1 62 62 ARG HG2 H 1 1.98 0.02 . . . . . . . 62 ARG HG2 . 50976 1 624 . 1 . 1 62 62 ARG HG3 H 1 1.98 0.02 . . . . . . . 62 ARG HG3 . 50976 1 625 . 1 . 1 62 62 ARG HD2 H 1 3.22 0.02 . . . . . . . 62 ARG HD2 . 50976 1 626 . 1 . 1 62 62 ARG HD3 H 1 3.22 0.02 . . . . . . . 62 ARG HD3 . 50976 1 627 . 1 . 1 62 62 ARG C C 13 171.4 0.2 . 1 . . . . . 62 ARG C . 50976 1 628 . 1 . 1 62 62 ARG CA C 13 52.6 0.2 . 1 . . . . . 62 ARG CA . 50976 1 629 . 1 . 1 62 62 ARG CB C 13 29.3 0.2 . 1 . . . . . 62 ARG CB . 50976 1 630 . 1 . 1 62 62 ARG N N 15 131.3 0.1 . 1 . . . . . 62 ARG N . 50976 1 631 . 1 . 1 63 63 ARG H H 1 8.55 0.02 . 1 . . . . . 63 ARG H . 50976 1 632 . 1 . 1 63 63 ARG HA H 1 5.68 0.02 . 1 . . . . . 63 ARG HA . 50976 1 633 . 1 . 1 63 63 ARG HB2 H 1 1.27 0.02 . . . . . . . 63 ARG HB2 . 50976 1 634 . 1 . 1 63 63 ARG HB3 H 1 1.27 0.02 . . . . . . . 63 ARG HB3 . 50976 1 635 . 1 . 1 63 63 ARG HG2 H 1 1.46 0.02 . . . . . . . 63 ARG HG2 . 50976 1 636 . 1 . 1 63 63 ARG HG3 H 1 1.46 0.02 . . . . . . . 63 ARG HG3 . 50976 1 637 . 1 . 1 63 63 ARG HD2 H 1 2.97 0.02 . . . . . . . 63 ARG HD2 . 50976 1 638 . 1 . 1 63 63 ARG HD3 H 1 2.97 0.02 . . . . . . . 63 ARG HD3 . 50976 1 639 . 1 . 1 63 63 ARG C C 13 170.1 0.2 . 1 . . . . . 63 ARG C . 50976 1 640 . 1 . 1 63 63 ARG CA C 13 52.9 0.2 . 1 . . . . . 63 ARG CA . 50976 1 641 . 1 . 1 63 63 ARG CB C 13 34.3 0.2 . 1 . . . . . 63 ARG CB . 50976 1 642 . 1 . 1 63 63 ARG N N 15 121.9 0.1 . 1 . . . . . 63 ARG N . 50976 1 643 . 1 . 1 64 64 LEU H H 1 8.55 0.02 . 1 . . . . . 64 LEU H . 50976 1 644 . 1 . 1 64 64 LEU HA H 1 4.19 0.02 . 1 . . . . . 64 LEU HA . 50976 1 645 . 1 . 1 64 64 LEU HB2 H 1 2.07 0.02 . . . . . . . 64 LEU HB2 . 50976 1 646 . 1 . 1 64 64 LEU HB3 H 1 2.07 0.02 . . . . . . . 64 LEU HB3 . 50976 1 647 . 1 . 1 64 64 LEU HD11 H 1 0.31 0.02 . . . . . . . 64 LEU MD1 . 50976 1 648 . 1 . 1 64 64 LEU HD12 H 1 0.31 0.02 . . . . . . . 64 LEU MD1 . 50976 1 649 . 1 . 1 64 64 LEU HD13 H 1 0.31 0.02 . . . . . . . 64 LEU MD1 . 50976 1 650 . 1 . 1 64 64 LEU HD21 H 1 0.014 0.02 . . . . . . . 64 LEU MD2 . 50976 1 651 . 1 . 1 64 64 LEU HD22 H 1 0.014 0.02 . . . . . . . 64 LEU MD2 . 50976 1 652 . 1 . 1 64 64 LEU HD23 H 1 0.014 0.02 . . . . . . . 64 LEU MD2 . 50976 1 653 . 1 . 1 64 64 LEU C C 13 171.8 0.2 . 1 . . . . . 64 LEU C . 50976 1 654 . 1 . 1 64 64 LEU CA C 13 51.95 0.2 . 1 . . . . . 64 LEU CA . 50976 1 655 . 1 . 1 64 64 LEU CB C 13 41.44 0.2 . 1 . . . . . 64 LEU CB . 50976 1 656 . 1 . 1 64 64 LEU CD1 C 13 21.2 0.2 . . . . . . . 64 LEU CD1 . 50976 1 657 . 1 . 1 64 64 LEU CD2 C 13 21.2 0.2 . . . . . . . 64 LEU CD2 . 50976 1 658 . 1 . 1 64 64 LEU N N 15 128.2 0.1 . 1 . . . . . 64 LEU N . 50976 1 659 . 1 . 1 65 65 VAL H H 1 8.75 0.02 . 1 . . . . . 65 VAL H . 50976 1 660 . 1 . 1 65 65 VAL HA H 1 4.32 0.02 . 1 . . . . . 65 VAL HA . 50976 1 661 . 1 . 1 65 65 VAL HB H 1 1.69 0.02 . 1 . . . . . 65 VAL HB . 50976 1 662 . 1 . 1 65 65 VAL HG11 H 1 0.53 0.02 . . . . . . . 65 VAL MG1 . 50976 1 663 . 1 . 1 65 65 VAL HG12 H 1 0.53 0.02 . . . . . . . 65 VAL MG1 . 50976 1 664 . 1 . 1 65 65 VAL HG13 H 1 0.53 0.02 . . . . . . . 65 VAL MG1 . 50976 1 665 . 1 . 1 65 65 VAL HG21 H 1 0.53 0.02 . . . . . . . 65 VAL MG2 . 50976 1 666 . 1 . 1 65 65 VAL HG22 H 1 0.53 0.02 . . . . . . . 65 VAL MG2 . 50976 1 667 . 1 . 1 65 65 VAL HG23 H 1 0.53 0.02 . . . . . . . 65 VAL MG2 . 50976 1 668 . 1 . 1 65 65 VAL C C 13 171.8 0.2 . 1 . . . . . 65 VAL C . 50976 1 669 . 1 . 1 65 65 VAL CA C 13 60.29 0.2 . 1 . . . . . 65 VAL CA . 50976 1 670 . 1 . 1 65 65 VAL CB C 13 32.56 0.2 . 1 . . . . . 65 VAL CB . 50976 1 671 . 1 . 1 65 65 VAL CG1 C 13 20.8 0.2 . . . . . . . 65 VAL CG1 . 50976 1 672 . 1 . 1 65 65 VAL CG2 C 13 20.8 0.2 . . . . . . . 65 VAL CG2 . 50976 1 673 . 1 . 1 65 65 VAL N N 15 127.1 0.2 . 1 . . . . . 65 VAL N . 50976 1 674 . 1 . 1 66 66 VAL H H 1 8.69 0.02 . 1 . . . . . 66 VAL H . 50976 1 675 . 1 . 1 66 66 VAL HA H 1 4.52 0.02 . 1 . . . . . 66 VAL HA . 50976 1 676 . 1 . 1 66 66 VAL HB H 1 1.59 0.02 . 1 . . . . . 66 VAL HB . 50976 1 677 . 1 . 1 66 66 VAL HG11 H 1 0.53 0.02 . . . . . . . 66 VAL MG1 . 50976 1 678 . 1 . 1 66 66 VAL HG12 H 1 0.53 0.02 . . . . . . . 66 VAL MG1 . 50976 1 679 . 1 . 1 66 66 VAL HG13 H 1 0.53 0.02 . . . . . . . 66 VAL MG1 . 50976 1 680 . 1 . 1 66 66 VAL HG21 H 1 0.37 0.02 . . . . . . . 66 VAL MG2 . 50976 1 681 . 1 . 1 66 66 VAL HG22 H 1 0.37 0.02 . . . . . . . 66 VAL MG2 . 50976 1 682 . 1 . 1 66 66 VAL HG23 H 1 0.37 0.02 . . . . . . . 66 VAL MG2 . 50976 1 683 . 1 . 1 66 66 VAL C C 13 172.3 0.2 . 1 . . . . . 66 VAL C . 50976 1 684 . 1 . 1 66 66 VAL CA C 13 60.1 0.2 . 1 . . . . . 66 VAL CA . 50976 1 685 . 1 . 1 66 66 VAL CB C 13 32.2 0.2 . 1 . . . . . 66 VAL CB . 50976 1 686 . 1 . 1 66 66 VAL CG1 C 13 18.5 0.2 . . . . . . . 66 VAL CG1 . 50976 1 687 . 1 . 1 66 66 VAL CG2 C 13 16.0 0.2 . . . . . . . 66 VAL CG2 . 50976 1 688 . 1 . 1 66 66 VAL N N 15 127.4 0.1 . 1 . . . . . 66 VAL N . 50976 1 689 . 1 . 1 67 67 GLN H H 1 8.65 0.02 . 1 . . . . . 67 GLN H . 50976 1 690 . 1 . 1 67 67 GLN HA H 1 4.28 0.02 . 1 . . . . . 67 GLN HA . 50976 1 691 . 1 . 1 67 67 GLN HB2 H 1 1.9 0.02 . . . . . . . 67 GLN HB2 . 50976 1 692 . 1 . 1 67 67 GLN HB3 H 1 1.9 0.02 . . . . . . . 67 GLN HB3 . 50976 1 693 . 1 . 1 67 67 GLN HG2 H 1 2.2 0.02 . . . . . . . 67 GLN HG2 . 50976 1 694 . 1 . 1 67 67 GLN HG3 H 1 2.3 0.02 . . . . . . . 67 GLN HG3 . 50976 1 695 . 1 . 1 67 67 GLN C C 13 171.8 0.2 . 1 . . . . . 67 GLN C . 50976 1 696 . 1 . 1 67 67 GLN CA C 13 55.2 0.2 . 1 . . . . . 67 GLN CA . 50976 1 697 . 1 . 1 67 67 GLN CB C 13 30.1 0.2 . 1 . . . . . 67 GLN CB . 50976 1 698 . 1 . 1 67 67 GLN CG C 13 33.7 0.2 . 1 . . . . . 67 GLN CG . 50976 1 699 . 1 . 1 67 67 GLN N N 15 123.5 0.1 . 1 . . . . . 67 GLN N . 50976 1 700 . 1 . 1 68 68 GLN H H 1 8.19 0.02 . 1 . . . . . 68 GLN H . 50976 1 701 . 1 . 1 68 68 GLN HA H 1 4.28 0.02 . 1 . . . . . 68 GLN HA . 50976 1 702 . 1 . 1 68 68 GLN HB2 H 1 1.90 0.02 . . . . . . . 68 GLN HB2 . 50976 1 703 . 1 . 1 68 68 GLN HB3 H 1 1.90 0.02 . . . . . . . 68 GLN HB3 . 50976 1 704 . 1 . 1 68 68 GLN HG2 H 1 2.2 0.02 . . . . . . . 68 GLN HG2 . 50976 1 705 . 1 . 1 68 68 GLN HG3 H 1 2.3 0.02 . . . . . . . 68 GLN HG3 . 50976 1 706 . 1 . 1 68 68 GLN C C 13 173 0.2 . 1 . . . . . 68 GLN C . 50976 1 707 . 1 . 1 68 68 GLN CA C 13 55.08 0.2 . 1 . . . . . 68 GLN CA . 50976 1 708 . 1 . 1 68 68 GLN CB C 13 26.97 0.2 . 1 . . . . . 68 GLN CB . 50976 1 709 . 1 . 1 68 68 GLN CG C 13 33.8 0.2 . 1 . . . . . 68 GLN CG . 50976 1 710 . 1 . 1 68 68 GLN N N 15 118.9 0.1 . 1 . . . . . 68 GLN N . 50976 1 711 . 1 . 1 69 69 VAL H H 1 8.40 0.02 . 1 . . . . . 69 VAL H . 50976 1 712 . 1 . 1 69 69 VAL HA H 1 4.04 0.02 . 1 . . . . . 69 VAL HA . 50976 1 713 . 1 . 1 69 69 VAL HB H 1 1.91 0.02 . 1 . . . . . 69 VAL HB . 50976 1 714 . 1 . 1 69 69 VAL HG11 H 1 0.73 0.02 . . . . . . . 69 VAL MG1 . 50976 1 715 . 1 . 1 69 69 VAL HG12 H 1 0.73 0.02 . . . . . . . 69 VAL MG1 . 50976 1 716 . 1 . 1 69 69 VAL HG13 H 1 0.73 0.02 . . . . . . . 69 VAL MG1 . 50976 1 717 . 1 . 1 69 69 VAL HG21 H 1 0.73 0.02 . . . . . . . 69 VAL MG2 . 50976 1 718 . 1 . 1 69 69 VAL HG22 H 1 0.73 0.02 . . . . . . . 69 VAL MG2 . 50976 1 719 . 1 . 1 69 69 VAL HG23 H 1 0.73 0.02 . . . . . . . 69 VAL MG2 . 50976 1 720 . 1 . 1 69 69 VAL C C 13 174.5 0.2 . 1 . . . . . 69 VAL C . 50976 1 721 . 1 . 1 69 69 VAL CA C 13 62.11 0.2 . 1 . . . . . 69 VAL CA . 50976 1 722 . 1 . 1 69 69 VAL CB C 13 32.53 0.2 . 1 . . . . . 69 VAL CB . 50976 1 723 . 1 . 1 69 69 VAL CG1 C 13 22.2 0.2 . . . . . . . 69 VAL CG1 . 50976 1 724 . 1 . 1 69 69 VAL CG2 C 13 19.9 0.2 . . . . . . . 69 VAL CG2 . 50976 1 725 . 1 . 1 69 69 VAL N N 15 114.4 0.1 . 1 . . . . . 69 VAL N . 50976 1 726 . 1 . 1 70 70 GLY H H 1 9.47 0.02 . 1 . . . . . 70 GLY H . 50976 1 727 . 1 . 1 70 70 GLY HA2 H 1 4.45 0.02 . . . . . . . 70 GLY HA2 . 50976 1 728 . 1 . 1 70 70 GLY HA3 H 1 3.82 0.02 . . . . . . . 70 GLY HA3 . 50976 1 729 . 1 . 1 70 70 GLY C C 13 171.9 0.2 . 1 . . . . . 70 GLY C . 50976 1 730 . 1 . 1 70 70 GLY CA C 13 42.87 0.2 . 1 . . . . . 70 GLY CA . 50976 1 731 . 1 . 1 70 70 GLY N N 15 112.1 0.1 . 1 . . . . . 70 GLY N . 50976 1 732 . 1 . 1 71 71 LYS H H 1 8.83 0.02 . 1 . . . . . 71 LYS H . 50976 1 733 . 1 . 1 71 71 LYS HA H 1 4.70 0.02 . 1 . . . . . 71 LYS HA . 50976 1 734 . 1 . 1 71 71 LYS HB2 H 1 1.77 0.02 . . . . . . . 71 LYS HB2 . 50976 1 735 . 1 . 1 71 71 LYS HB3 H 1 1.77 0.02 . . . . . . . 71 LYS HB3 . 50976 1 736 . 1 . 1 71 71 LYS N N 15 120.6 0.1 . 1 . . . . . 71 LYS N . 50976 1 737 . 1 . 1 72 72 ALA HA H 1 4.18 0.02 . 1 . . . . . 72 ALA HA . 50976 1 738 . 1 . 1 72 72 ALA HB1 H 1 1.32 0.02 . 1 . . . . . 72 ALA MB . 50976 1 739 . 1 . 1 72 72 ALA HB2 H 1 1.32 0.02 . 1 . . . . . 72 ALA MB . 50976 1 740 . 1 . 1 72 72 ALA HB3 H 1 1.32 0.02 . 1 . . . . . 72 ALA MB . 50976 1 741 . 1 . 1 72 72 ALA C C 13 175.4 0.2 . 1 . . . . . 72 ALA C . 50976 1 742 . 1 . 1 72 72 ALA CA C 13 53.23 0.2 . 1 . . . . . 72 ALA CA . 50976 1 743 . 1 . 1 72 72 ALA CB C 13 17.69 0.2 . 1 . . . . . 72 ALA CB . 50976 1 744 . 1 . 1 73 73 ASP H H 1 8.10 0.02 . 1 . . . . . 73 ASP H . 50976 1 745 . 1 . 1 73 73 ASP HA H 1 4.51 0.02 . 1 . . . . . 73 ASP HA . 50976 1 746 . 1 . 1 73 73 ASP HB2 H 1 2.78 0.02 . . . . . . . 73 ASP HB2 . 50976 1 747 . 1 . 1 73 73 ASP HB3 H 1 2.45 0.02 . . . . . . . 73 ASP HB3 . 50976 1 748 . 1 . 1 73 73 ASP C C 13 173.7 0.2 . 1 . . . . . 73 ASP C . 50976 1 749 . 1 . 1 73 73 ASP CA C 13 54.47 0.2 . 1 . . . . . 73 ASP CA . 50976 1 750 . 1 . 1 73 73 ASP CB C 13 40.95 0.2 . 1 . . . . . 73 ASP CB . 50976 1 751 . 1 . 1 73 73 ASP N N 15 113.6 0.2 . 1 . . . . . 73 ASP N . 50976 1 752 . 1 . 1 74 74 ALA H H 1 7.38 0.02 . 1 . . . . . 74 ALA H . 50976 1 753 . 1 . 1 74 74 ALA HA H 1 4.14 0.02 . 1 . . . . . 74 ALA HA . 50976 1 754 . 1 . 1 74 74 ALA HB1 H 1 1.59 0.02 . 1 . . . . . 74 ALA MB . 50976 1 755 . 1 . 1 74 74 ALA HB2 H 1 1.59 0.02 . 1 . . . . . 74 ALA MB . 50976 1 756 . 1 . 1 74 74 ALA HB3 H 1 1.59 0.02 . 1 . . . . . 74 ALA MB . 50976 1 757 . 1 . 1 74 74 ALA C C 13 174.2 0.2 . 1 . . . . . 74 ALA C . 50976 1 758 . 1 . 1 74 74 ALA CA C 13 52.39 0.2 . 1 . . . . . 74 ALA CA . 50976 1 759 . 1 . 1 74 74 ALA CB C 13 19.28 0.2 . 1 . . . . . 74 ALA CB . 50976 1 760 . 1 . 1 74 74 ALA N N 15 123.4 0.2 . 1 . . . . . 74 ALA N . 50976 1 761 . 1 . 1 75 75 GLY H H 1 8.26 0.02 . 1 . . . . . 75 GLY H . 50976 1 762 . 1 . 1 75 75 GLY HA2 H 1 4.55 0.02 . . . . . . . 75 GLY HA2 . 50976 1 763 . 1 . 1 75 75 GLY HA3 H 1 3.86 0.02 . . . . . . . 75 GLY HA3 . 50976 1 764 . 1 . 1 75 75 GLY C C 13 168.4 0.2 . 1 . . . . . 75 GLY C . 50976 1 765 . 1 . 1 75 75 GLY CA C 13 44.15 0.2 . 1 . . . . . 75 GLY CA . 50976 1 766 . 1 . 1 75 75 GLY N N 15 131.7 0.1 . 1 . . . . . 75 GLY N . 50976 1 767 . 1 . 1 76 76 GLU H H 1 8.66 0.02 . 1 . . . . . 76 GLU H . 50976 1 768 . 1 . 1 76 76 GLU HA H 1 5.11 0.02 . 1 . . . . . 76 GLU HA . 50976 1 769 . 1 . 1 76 76 GLU HB2 H 1 1.95 0.02 . . . . . . . 76 GLU HB2 . 50976 1 770 . 1 . 1 76 76 GLU HB3 H 1 1.95 0.02 . . . . . . . 76 GLU HB3 . 50976 1 771 . 1 . 1 76 76 GLU HG2 H 1 2.17 0.02 . . . . . . . 76 GLU HG2 . 50976 1 772 . 1 . 1 76 76 GLU HG3 H 1 2.17 0.02 . . . . . . . 76 GLU HG3 . 50976 1 773 . 1 . 1 76 76 GLU C C 13 173.4 0.2 . 1 . . . . . 76 GLU C . 50976 1 774 . 1 . 1 76 76 GLU CA C 13 54.7 0.2 . 1 . . . . . 76 GLU CA . 50976 1 775 . 1 . 1 76 76 GLU CB C 13 30.2 0.2 . 1 . . . . . 76 GLU CB . 50976 1 776 . 1 . 1 76 76 GLU CG C 13 36.6 0.2 . 1 . . . . . 76 GLU CG . 50976 1 777 . 1 . 1 76 76 GLU N N 15 121.8 0.1 . 1 . . . . . 76 GLU N . 50976 1 778 . 1 . 1 77 77 TYR H H 1 9.82 0.02 . 1 . . . . . 77 TYR H . 50976 1 779 . 1 . 1 77 77 TYR HA H 1 5.67 0.02 . 1 . . . . . 77 TYR HA . 50976 1 780 . 1 . 1 77 77 TYR HB2 H 1 2.95 0.02 . . . . . . . 77 TYR HB2 . 50976 1 781 . 1 . 1 77 77 TYR HB3 H 1 2.95 0.02 . . . . . . . 77 TYR HB3 . 50976 1 782 . 1 . 1 77 77 TYR C C 13 173.2 0.2 . 1 . . . . . 77 TYR C . 50976 1 783 . 1 . 1 77 77 TYR CA C 13 55.71 0.2 . 1 . . . . . 77 TYR CA . 50976 1 784 . 1 . 1 77 77 TYR CB C 13 41.33 0.2 . 1 . . . . . 77 TYR CB . 50976 1 785 . 1 . 1 77 77 TYR N N 15 129.2 0.1 . 1 . . . . . 77 TYR N . 50976 1 786 . 1 . 1 78 78 SER H H 1 9.53 0.02 . 1 . . . . . 78 SER H . 50976 1 787 . 1 . 1 78 78 SER HA H 1 5.69 0.02 . 1 . . . . . 78 SER HA . 50976 1 788 . 1 . 1 78 78 SER HB2 H 1 3.61 0.02 . . . . . . . 78 SER HB2 . 50976 1 789 . 1 . 1 78 78 SER HB3 H 1 3.61 0.02 . . . . . . . 78 SER HB3 . 50976 1 790 . 1 . 1 78 78 SER C C 13 168.2 0.2 . 1 . . . . . 78 SER C . 50976 1 791 . 1 . 1 78 78 SER CA C 13 56.2 0.2 . 1 . . . . . 78 SER CA . 50976 1 792 . 1 . 1 78 78 SER CB C 13 64.74 0.2 . 1 . . . . . 78 SER CB . 50976 1 793 . 1 . 1 78 78 SER N N 15 114.3 0.1 . 1 . . . . . 78 SER N . 50976 1 794 . 1 . 1 79 79 CYS H H 1 8.92 0.02 . 1 . . . . . 79 CYS H . 50976 1 795 . 1 . 1 79 79 CYS HA H 1 4.19 0.02 . 1 . . . . . 79 CYS HA . 50976 1 796 . 1 . 1 79 79 CYS HB2 H 1 1.93 0.02 . . . . . . . 79 CYS HB2 . 50976 1 797 . 1 . 1 79 79 CYS HB3 H 1 1.93 0.02 . . . . . . . 79 CYS HB3 . 50976 1 798 . 1 . 1 79 79 CYS C C 13 171.2 0.2 . 1 . . . . . 79 CYS C . 50976 1 799 . 1 . 1 79 79 CYS CA C 13 57.21 0.2 . 1 . . . . . 79 CYS CA . 50976 1 800 . 1 . 1 79 79 CYS CB C 13 27.02 0.2 . 1 . . . . . 79 CYS CB . 50976 1 801 . 1 . 1 79 79 CYS N N 15 124.9 0.1 . 1 . . . . . 79 CYS N . 50976 1 802 . 1 . 1 80 80 GLU H H 1 9.12 0.02 . 1 . . . . . 80 GLU H . 50976 1 803 . 1 . 1 80 80 GLU HA H 1 5.49 0.02 . 1 . . . . . 80 GLU HA . 50976 1 804 . 1 . 1 80 80 GLU HB2 H 1 2.06 0.02 . . . . . . . 80 GLU HB2 . 50976 1 805 . 1 . 1 80 80 GLU HB3 H 1 2.06 0.02 . . . . . . . 80 GLU HB3 . 50976 1 806 . 1 . 1 80 80 GLU C C 13 173.2 0.2 . 1 . . . . . 80 GLU C . 50976 1 807 . 1 . 1 80 80 GLU CA C 13 54.39 0.2 . 1 . . . . . 80 GLU CA . 50976 1 808 . 1 . 1 80 80 GLU CB C 13 32.92 0.2 . 1 . . . . . 80 GLU CB . 50976 1 809 . 1 . 1 80 80 GLU CG C 13 36.0 0.2 . 1 . . . . . 80 GLU CG . 50976 1 810 . 1 . 1 80 80 GLU N N 15 126.3 0.1 . 1 . . . . . 80 GLU N . 50976 1 811 . 1 . 1 81 81 ALA H H 1 8.54 0.02 . 1 . . . . . 81 ALA H . 50976 1 812 . 1 . 1 81 81 ALA HA H 1 4.69 0.02 . 1 . . . . . 81 ALA HA . 50976 1 813 . 1 . 1 81 81 ALA HB1 H 1 1.07 0.02 . 1 . . . . . 81 ALA MB . 50976 1 814 . 1 . 1 81 81 ALA HB2 H 1 1.07 0.02 . 1 . . . . . 81 ALA MB . 50976 1 815 . 1 . 1 81 81 ALA HB3 H 1 1.07 0.02 . 1 . . . . . 81 ALA MB . 50976 1 816 . 1 . 1 81 81 ALA C C 13 174.5 0.2 . 1 . . . . . 81 ALA C . 50976 1 817 . 1 . 1 81 81 ALA CA C 13 52.1 0.2 . 1 . . . . . 81 ALA CA . 50976 1 818 . 1 . 1 81 81 ALA CB C 13 21.4 0.2 . 1 . . . . . 81 ALA CB . 50976 1 819 . 1 . 1 81 81 ALA N N 15 124.1 0.1 . 1 . . . . . 81 ALA N . 50976 1 820 . 1 . 1 82 82 GLY H H 1 8.85 0.02 . 1 . . . . . 82 GLY H . 50976 1 821 . 1 . 1 82 82 GLY HA2 H 1 3.71 0.02 . . . . . . . 82 GLY HA2 . 50976 1 822 . 1 . 1 82 82 GLY HA3 H 1 3.71 0.02 . . . . . . . 82 GLY HA3 . 50976 1 823 . 1 . 1 82 82 GLY C C 13 174.5 0.2 . 1 . . . . . 82 GLY C . 50976 1 824 . 1 . 1 82 82 GLY CA C 13 46.7 0.2 . 1 . . . . . 82 GLY CA . 50976 1 825 . 1 . 1 82 82 GLY N N 15 108.8 0.1 . 1 . . . . . 82 GLY N . 50976 1 826 . 1 . 1 83 83 GLY H H 1 8.82 0.02 . 1 . . . . . 83 GLY H . 50976 1 827 . 1 . 1 83 83 GLY HA2 H 1 4.12 0.02 . . . . . . . 83 GLY HA2 . 50976 1 828 . 1 . 1 83 83 GLY HA3 H 1 3.61 0.02 . . . . . . . 83 GLY HA3 . 50976 1 829 . 1 . 1 83 83 GLY C C 13 171.1 0.2 . 1 . . . . . 83 GLY C . 50976 1 830 . 1 . 1 83 83 GLY CA C 13 44.5 0.2 . 1 . . . . . 83 GLY CA . 50976 1 831 . 1 . 1 83 83 GLY N N 15 109.1 0.1 . 1 . . . . . 83 GLY N . 50976 1 832 . 1 . 1 84 84 GLN H H 1 8.25 0.02 . 1 . . . . . 84 GLN H . 50976 1 833 . 1 . 1 84 84 GLN HA H 1 4.69 0.02 . 1 . . . . . 84 GLN HA . 50976 1 834 . 1 . 1 84 84 GLN HB2 H 1 2.05 0.02 . . . . . . . 84 GLN HB2 . 50976 1 835 . 1 . 1 84 84 GLN HB3 H 1 2.05 0.02 . . . . . . . 84 GLN HB3 . 50976 1 836 . 1 . 1 84 84 GLN HG2 H 1 2.39 0.02 . . . . . . . 84 GLN HG2 . 50976 1 837 . 1 . 1 84 84 GLN HG3 H 1 2.39 0.02 . . . . . . . 84 GLN HG3 . 50976 1 838 . 1 . 1 84 84 GLN C C 13 171.8 0.2 . 1 . . . . . 84 GLN C . 50976 1 839 . 1 . 1 84 84 GLN CA C 13 53.8 0.2 . 1 . . . . . 84 GLN CA . 50976 1 840 . 1 . 1 84 84 GLN CB C 13 31.0 0.2 . 1 . . . . . 84 GLN CB . 50976 1 841 . 1 . 1 84 84 GLN CG C 13 33.5 0.2 . 1 . . . . . 84 GLN CG . 50976 1 842 . 1 . 1 84 84 GLN N N 15 120.8 0.1 . 1 . . . . . 84 GLN N . 50976 1 843 . 1 . 1 85 85 ARG H H 1 8.29 0.02 . 1 . . . . . 85 ARG H . 50976 1 844 . 1 . 1 85 85 ARG HA H 1 5.39 0.02 . 1 . . . . . 85 ARG HA . 50976 1 845 . 1 . 1 85 85 ARG HB2 H 1 1.46 0.02 . . . . . . . 85 ARG HB2 . 50976 1 846 . 1 . 1 85 85 ARG HB3 H 1 1.46 0.02 . . . . . . . 85 ARG HB3 . 50976 1 847 . 1 . 1 85 85 ARG HG2 H 1 1.23 0.02 . . . . . . . 85 ARG HG2 . 50976 1 848 . 1 . 1 85 85 ARG HG3 H 1 1.23 0.02 . . . . . . . 85 ARG HG3 . 50976 1 849 . 1 . 1 85 85 ARG HD2 H 1 2.97 0.02 . . . . . . . 85 ARG HD2 . 50976 1 850 . 1 . 1 85 85 ARG HD3 H 1 2.97 0.02 . . . . . . . 85 ARG HD3 . 50976 1 851 . 1 . 1 85 85 ARG C C 13 171.9 0.2 . 1 . . . . . 85 ARG C . 50976 1 852 . 1 . 1 85 85 ARG CA C 13 54.24 0.2 . 1 . . . . . 85 ARG CA . 50976 1 853 . 1 . 1 85 85 ARG CB C 13 34.09 0.2 . 1 . . . . . 85 ARG CB . 50976 1 854 . 1 . 1 85 85 ARG N N 15 118.2 0.1 . 1 . . . . . 85 ARG N . 50976 1 855 . 1 . 1 86 86 VAL H H 1 8.23 0.02 . 1 . . . . . 86 VAL H . 50976 1 856 . 1 . 1 86 86 VAL HA H 1 3.95 0.02 . 1 . . . . . 86 VAL HA . 50976 1 857 . 1 . 1 86 86 VAL HB H 1 2.24 0.02 . 1 . . . . . 86 VAL HB . 50976 1 858 . 1 . 1 86 86 VAL HG11 H 1 0.14 0.02 . . . . . . . 86 VAL MG1 . 50976 1 859 . 1 . 1 86 86 VAL HG12 H 1 0.14 0.02 . . . . . . . 86 VAL MG1 . 50976 1 860 . 1 . 1 86 86 VAL HG13 H 1 0.14 0.02 . . . . . . . 86 VAL MG1 . 50976 1 861 . 1 . 1 86 86 VAL HG21 H 1 0.14 0.02 . . . . . . . 86 VAL MG2 . 50976 1 862 . 1 . 1 86 86 VAL HG22 H 1 0.14 0.02 . . . . . . . 86 VAL MG2 . 50976 1 863 . 1 . 1 86 86 VAL HG23 H 1 0.14 0.02 . . . . . . . 86 VAL MG2 . 50976 1 864 . 1 . 1 86 86 VAL C C 13 171.8 0.2 . 1 . . . . . 86 VAL C . 50976 1 865 . 1 . 1 86 86 VAL CA C 13 60.7 0.2 . 1 . . . . . 86 VAL CA . 50976 1 866 . 1 . 1 86 86 VAL CB C 13 33.3 0.2 . 1 . . . . . 86 VAL CB . 50976 1 867 . 1 . 1 86 86 VAL CG1 C 13 17.2 0.2 . . . . . . . 86 VAL CG1 . 50976 1 868 . 1 . 1 86 86 VAL CG2 C 13 17.2 0.2 . . . . . . . 86 VAL CG2 . 50976 1 869 . 1 . 1 86 86 VAL N N 15 123 0.1 . 1 . . . . . 86 VAL N . 50976 1 870 . 1 . 1 87 87 SER H H 1 8.44 0.02 . 1 . . . . . 87 SER H . 50976 1 871 . 1 . 1 87 87 SER HA H 1 3.82 0.02 . 1 . . . . . 87 SER HA . 50976 1 872 . 1 . 1 87 87 SER HB2 H 1 3.66 0.02 . . . . . . . 87 SER HB2 . 50976 1 873 . 1 . 1 87 87 SER HB3 H 1 3.66 0.02 . . . . . . . 87 SER HB3 . 50976 1 874 . 1 . 1 87 87 SER C C 13 170.9 0.2 . 1 . . . . . 87 SER C . 50976 1 875 . 1 . 1 87 87 SER CA C 13 56.5 0.2 . 1 . . . . . 87 SER CA . 50976 1 876 . 1 . 1 87 87 SER CB C 13 65.4 0.2 . 1 . . . . . 87 SER CB . 50976 1 877 . 1 . 1 87 87 SER N N 15 119.5 0.1 . 1 . . . . . 87 SER N . 50976 1 878 . 1 . 1 88 88 PHE H H 1 9.59 0.02 . 1 . . . . . 88 PHE H . 50976 1 879 . 1 . 1 88 88 PHE HA H 1 5.18 0.02 . 1 . . . . . 88 PHE HA . 50976 1 880 . 1 . 1 88 88 PHE HB2 H 1 3.06 0.02 . . . . . . . 88 PHE HB2 . 50976 1 881 . 1 . 1 88 88 PHE HB3 H 1 2.58 0.02 . . . . . . . 88 PHE HB3 . 50976 1 882 . 1 . 1 88 88 PHE C C 13 172.1 0.2 . 1 . . . . . 88 PHE C . 50976 1 883 . 1 . 1 88 88 PHE CA C 13 54.8 0.2 . 1 . . . . . 88 PHE CA . 50976 1 884 . 1 . 1 88 88 PHE CB C 13 42.4 0.2 . 1 . . . . . 88 PHE CB . 50976 1 885 . 1 . 1 88 88 PHE N N 15 120.7 0.1 . 1 . . . . . 88 PHE N . 50976 1 886 . 1 . 1 89 89 GLN H H 1 8.84 0.02 . 1 . . . . . 89 GLN H . 50976 1 887 . 1 . 1 89 89 GLN HA H 1 4.84 0.02 . 1 . . . . . 89 GLN HA . 50976 1 888 . 1 . 1 89 89 GLN HB2 H 1 2.06 0.02 . . . . . . . 89 GLN HB2 . 50976 1 889 . 1 . 1 89 89 GLN HB3 H 1 1.94 0.02 . . . . . . . 89 GLN HB3 . 50976 1 890 . 1 . 1 89 89 GLN HG2 H 1 2.37 0.02 . . . . . . . 89 GLN HG2 . 50976 1 891 . 1 . 1 89 89 GLN HG3 H 1 2.37 0.02 . . . . . . . 89 GLN HG3 . 50976 1 892 . 1 . 1 89 89 GLN C C 13 171 0.2 . 1 . . . . . 89 GLN C . 50976 1 893 . 1 . 1 89 89 GLN CA C 13 54.03 0.2 . 1 . . . . . 89 GLN CA . 50976 1 894 . 1 . 1 89 89 GLN CB C 13 28.4 0.2 . 1 . . . . . 89 GLN CB . 50976 1 895 . 1 . 1 89 89 GLN CG C 13 32.7 0.2 . 1 . . . . . 89 GLN CG . 50976 1 896 . 1 . 1 89 89 GLN N N 15 124.4 0.1 . 1 . . . . . 89 GLN N . 50976 1 897 . 1 . 1 90 90 LEU H H 1 9.14 0.02 . 1 . . . . . 90 LEU H . 50976 1 898 . 1 . 1 90 90 LEU HA H 1 5.10 0.02 . 1 . . . . . 90 LEU HA . 50976 1 899 . 1 . 1 90 90 LEU HB2 H 1 2.3 0.02 . . . . . . . 90 LEU HB2 . 50976 1 900 . 1 . 1 90 90 LEU HB3 H 1 2.3 0.02 . . . . . . . 90 LEU HB3 . 50976 1 901 . 1 . 1 90 90 LEU HG H 1 1.2 0.02 . 1 . . . . . 90 LEU HG . 50976 1 902 . 1 . 1 90 90 LEU HD11 H 1 0.52 0.02 . . . . . . . 90 LEU MD1 . 50976 1 903 . 1 . 1 90 90 LEU HD12 H 1 0.52 0.02 . . . . . . . 90 LEU MD1 . 50976 1 904 . 1 . 1 90 90 LEU HD13 H 1 0.52 0.02 . . . . . . . 90 LEU MD1 . 50976 1 905 . 1 . 1 90 90 LEU HD21 H 1 0.92 0.02 . . . . . . . 90 LEU MD2 . 50976 1 906 . 1 . 1 90 90 LEU HD22 H 1 0.92 0.02 . . . . . . . 90 LEU MD2 . 50976 1 907 . 1 . 1 90 90 LEU HD23 H 1 0.92 0.02 . . . . . . . 90 LEU MD2 . 50976 1 908 . 1 . 1 90 90 LEU C C 13 172.7 0.2 . 1 . . . . . 90 LEU C . 50976 1 909 . 1 . 1 90 90 LEU CA C 13 53.4 0.2 . 1 . . . . . 90 LEU CA . 50976 1 910 . 1 . 1 90 90 LEU CB C 13 43.1 0.2 . 1 . . . . . 90 LEU CB . 50976 1 911 . 1 . 1 90 90 LEU CD1 C 13 21.2 0.2 . . . . . . . 90 LEU CD1 . 50976 1 912 . 1 . 1 90 90 LEU CD2 C 13 21.2 0.2 . . . . . . . 90 LEU CD2 . 50976 1 913 . 1 . 1 90 90 LEU N N 15 128.9 0.1 . 1 . . . . . 90 LEU N . 50976 1 914 . 1 . 1 91 91 HIS H H 1 9.17 0.02 . 1 . . . . . 91 HIS H . 50976 1 915 . 1 . 1 91 91 HIS HA H 1 5.10 0.02 . 1 . . . . . 91 HIS HA . 50976 1 916 . 1 . 1 91 91 HIS HB2 H 1 2.30 0.02 . . . . . . . 91 HIS HB2 . 50976 1 917 . 1 . 1 91 91 HIS HB3 H 1 2.30 0.02 . . . . . . . 91 HIS HB3 . 50976 1 918 . 1 . 1 91 91 HIS C C 13 172.7 0.2 . 1 . . . . . 91 HIS C . 50976 1 919 . 1 . 1 91 91 HIS CA C 13 53.4 0.2 . 1 . . . . . 91 HIS CA . 50976 1 920 . 1 . 1 91 91 HIS CB C 13 32.38 0.2 . 1 . . . . . 91 HIS CB . 50976 1 921 . 1 . 1 91 91 HIS N N 15 128.9 0.2 . 1 . . . . . 91 HIS N . 50976 1 922 . 1 . 1 92 92 ILE H H 1 8.36 0.02 . 1 . . . . . 92 ILE H . 50976 1 923 . 1 . 1 92 92 ILE HA H 1 5.27 0.02 . 1 . . . . . 92 ILE HA . 50976 1 924 . 1 . 1 92 92 ILE HB H 1 1.83 0.02 . 1 . . . . . 92 ILE HB . 50976 1 925 . 1 . 1 92 92 ILE HG12 H 1 1.36 0.02 . . . . . . . 92 ILE HG12 . 50976 1 926 . 1 . 1 92 92 ILE HG13 H 1 1.36 0.02 . . . . . . . 92 ILE HG13 . 50976 1 927 . 1 . 1 92 92 ILE HG21 H 1 0.48 0.02 . 1 . . . . . 92 ILE MG . 50976 1 928 . 1 . 1 92 92 ILE HG22 H 1 0.48 0.02 . 1 . . . . . 92 ILE MG . 50976 1 929 . 1 . 1 92 92 ILE HG23 H 1 0.48 0.02 . 1 . . . . . 92 ILE MG . 50976 1 930 . 1 . 1 92 92 ILE HD11 H 1 0.57 0.02 . 1 . . . . . 92 ILE MD . 50976 1 931 . 1 . 1 92 92 ILE HD12 H 1 0.57 0.02 . 1 . . . . . 92 ILE MD . 50976 1 932 . 1 . 1 92 92 ILE HD13 H 1 0.57 0.02 . 1 . . . . . 92 ILE MD . 50976 1 933 . 1 . 1 92 92 ILE C C 13 174.1 0.2 . 1 . . . . . 92 ILE C . 50976 1 934 . 1 . 1 92 92 ILE CA C 13 56.34 0.2 . 1 . . . . . 92 ILE CA . 50976 1 935 . 1 . 1 92 92 ILE CB C 13 36.46 0.2 . 1 . . . . . 92 ILE CB . 50976 1 936 . 1 . 1 92 92 ILE CG2 C 13 16 0.2 . 1 . . . . . 92 ILE CG2 . 50976 1 937 . 1 . 1 92 92 ILE CD1 C 13 13.7 0.2 . 1 . . . . . 92 ILE CD1 . 50976 1 938 . 1 . 1 92 92 ILE N N 15 124.1 0.1 . 1 . . . . . 92 ILE N . 50976 1 939 . 1 . 1 93 93 THR H H 1 8.51 0.02 . 1 . . . . . 93 THR H . 50976 1 940 . 1 . 1 93 93 THR HA H 1 4.49 0.02 . 1 . . . . . 93 THR HA . 50976 1 941 . 1 . 1 93 93 THR HB H 1 4.18 0.02 . 1 . . . . . 93 THR HB . 50976 1 942 . 1 . 1 93 93 THR HG21 H 1 0.99 0.02 . 1 . . . . . 93 THR MG . 50976 1 943 . 1 . 1 93 93 THR HG22 H 1 0.99 0.02 . 1 . . . . . 93 THR MG . 50976 1 944 . 1 . 1 93 93 THR HG23 H 1 0.99 0.02 . 1 . . . . . 93 THR MG . 50976 1 945 . 1 . 1 93 93 THR C C 13 171.2 0.2 . 1 . . . . . 93 THR C . 50976 1 946 . 1 . 1 93 93 THR CA C 13 59.5 0.2 . 1 . . . . . 93 THR CA . 50976 1 947 . 1 . 1 93 93 THR CB C 13 69.4 0.2 . 1 . . . . . 93 THR CB . 50976 1 948 . 1 . 1 93 93 THR CG2 C 13 21.2 0.2 . 1 . . . . . 93 THR CG2 . 50976 1 949 . 1 . 1 93 93 THR N N 15 120.2 0.1 . 1 . . . . . 93 THR N . 50976 1 950 . 1 . 1 94 94 GLU H H 1 8.47 0.02 . 1 . . . . . 94 GLU H . 50976 1 951 . 1 . 1 94 94 GLU HA H 1 4.63 0.02 . 1 . . . . . 94 GLU HA . 50976 1 952 . 1 . 1 94 94 GLU HB2 H 1 2.0 0.02 . . . . . . . 94 GLU HB2 . 50976 1 953 . 1 . 1 94 94 GLU HB3 H 1 2.0 0.02 . . . . . . . 94 GLU HB3 . 50976 1 954 . 1 . 1 94 94 GLU HG2 H 1 2.24 0.02 . . . . . . . 94 GLU HG2 . 50976 1 955 . 1 . 1 94 94 GLU HG3 H 1 2.24 0.02 . . . . . . . 94 GLU HG3 . 50976 1 956 . 1 . 1 94 94 GLU C C 13 172 0.2 . 1 . . . . . 94 GLU C . 50976 1 957 . 1 . 1 94 94 GLU CA C 13 53.4 0.2 . 1 . . . . . 94 GLU CA . 50976 1 958 . 1 . 1 94 94 GLU CB C 13 29.3 0.2 . 1 . . . . . 94 GLU CB . 50976 1 959 . 1 . 1 94 94 GLU N N 15 122.2 0.1 . 1 . . . . . 94 GLU N . 50976 1 960 . 1 . 1 95 95 PRO HA H 1 4.33 0.02 . 1 . . . . . 95 PRO HA . 50976 1 961 . 1 . 1 95 95 PRO HB2 H 1 1.96 0.02 . . . . . . . 95 PRO HB2 . 50976 1 962 . 1 . 1 95 95 PRO HB3 H 1 2.12 0.02 . . . . . . . 95 PRO HB3 . 50976 1 963 . 1 . 1 95 95 PRO HG2 H 1 1.79 0.02 . . . . . . . 95 PRO HG2 . 50976 1 964 . 1 . 1 95 95 PRO HG3 H 1 1.79 0.02 . . . . . . . 95 PRO HG3 . 50976 1 965 . 1 . 1 95 95 PRO HD2 H 1 3.7 0.02 . . . . . . . 95 PRO HD2 . 50976 1 966 . 1 . 1 95 95 PRO HD3 H 1 3.7 0.02 . . . . . . . 95 PRO HD3 . 50976 1 967 . 1 . 1 95 95 PRO C C 13 174 0.2 . 1 . . . . . 95 PRO C . 50976 1 968 . 1 . 1 95 95 PRO CA C 13 62.3 0.2 . 1 . . . . . 95 PRO CA . 50976 1 969 . 1 . 1 95 95 PRO CB C 13 31.4 0.2 . 1 . . . . . 95 PRO CB . 50976 1 970 . 1 . 1 95 95 PRO CG C 13 26.7 0.2 . 1 . . . . . 95 PRO CG . 50976 1 971 . 1 . 1 96 96 LEU H H 1 8.35 0.02 . 1 . . . . . 96 LEU H . 50976 1 972 . 1 . 1 96 96 LEU HA H 1 4.17 0.02 . 1 . . . . . 96 LEU HA . 50976 1 973 . 1 . 1 96 96 LEU HB2 H 1 1.40 0.02 . . . . . . . 96 LEU HB2 . 50976 1 974 . 1 . 1 96 96 LEU HB3 H 1 1.51 0.02 . . . . . . . 96 LEU HB3 . 50976 1 975 . 1 . 1 96 96 LEU HD11 H 1 0.81 0.02 . . . . . . . 96 LEU MD1 . 50976 1 976 . 1 . 1 96 96 LEU HD12 H 1 0.81 0.02 . . . . . . . 96 LEU MD1 . 50976 1 977 . 1 . 1 96 96 LEU HD13 H 1 0.81 0.02 . . . . . . . 96 LEU MD1 . 50976 1 978 . 1 . 1 96 96 LEU HD21 H 1 0.81 0.02 . . . . . . . 96 LEU MD2 . 50976 1 979 . 1 . 1 96 96 LEU HD22 H 1 0.81 0.02 . . . . . . . 96 LEU MD2 . 50976 1 980 . 1 . 1 96 96 LEU HD23 H 1 0.81 0.02 . . . . . . . 96 LEU MD2 . 50976 1 981 . 1 . 1 96 96 LEU C C 13 174.7 0.2 . 1 . . . . . 96 LEU C . 50976 1 982 . 1 . 1 96 96 LEU CA C 13 54.6 0.2 . 1 . . . . . 96 LEU CA . 50976 1 983 . 1 . 1 96 96 LEU CB C 13 41.6 0.2 . 1 . . . . . 96 LEU CB . 50976 1 984 . 1 . 1 96 96 LEU N N 15 122.7 0.1 . 1 . . . . . 96 LEU N . 50976 1 985 . 1 . 1 97 97 GLU H H 1 8.21 0.02 . 1 . . . . . 97 GLU H . 50976 1 986 . 1 . 1 97 97 GLU HA H 1 4.12 0.02 . 1 . . . . . 97 GLU HA . 50976 1 987 . 1 . 1 97 97 GLU HB2 H 1 1.77 0.02 . . . . . . . 97 GLU HB2 . 50976 1 988 . 1 . 1 97 97 GLU HB3 H 1 1.77 0.02 . . . . . . . 97 GLU HB3 . 50976 1 989 . 1 . 1 97 97 GLU HG2 H 1 2.07 0.02 . . . . . . . 97 GLU HG2 . 50976 1 990 . 1 . 1 97 97 GLU HG3 H 1 2.07 0.02 . . . . . . . 97 GLU HG3 . 50976 1 991 . 1 . 1 97 97 GLU C C 13 173.3 0.02 . 1 . . . . . 97 GLU C . 50976 1 992 . 1 . 1 97 97 GLU CA C 13 55.7 0.02 . 1 . . . . . 97 GLU CA . 50976 1 993 . 1 . 1 97 97 GLU CB C 13 29.7 0.02 . 1 . . . . . 97 GLU CB . 50976 1 994 . 1 . 1 97 97 GLU N N 15 120.9 0.02 . 1 . . . . . 97 GLU N . 50976 1 995 . 1 . 1 102 102 HIS HA H 1 4.51 0.02 . 1 . . . . . 102 HIS HA . 50976 1 996 . 1 . 1 102 102 HIS HB2 H 1 2.92 0.02 . . . . . . . 102 HIS HB2 . 50976 1 997 . 1 . 1 102 102 HIS HB3 H 1 2.92 0.02 . . . . . . . 102 HIS HB3 . 50976 1 998 . 1 . 1 102 102 HIS C C 13 171.5 0.2 . 1 . . . . . 102 HIS C . 50976 1 999 . 1 . 1 102 102 HIS CA C 13 55.5 0.2 . 1 . . . . . 102 HIS CA . 50976 1 1000 . 1 . 1 102 102 HIS CB C 13 30.3 0.2 . 1 . . . . . 102 HIS CB . 50976 1 1001 . 1 . 1 103 103 HIS H H 1 7.79 0.02 . 1 . . . . . 103 HIS H . 50976 1 1002 . 1 . 1 103 103 HIS HA H 1 4.56 0.02 . 1 . . . . . 103 HIS HA . 50976 1 1003 . 1 . 1 103 103 HIS HB2 H 1 2.96 0.02 . . . . . . . 103 HIS HB2 . 50976 1 1004 . 1 . 1 103 103 HIS HB3 H 1 2.96 0.02 . . . . . . . 103 HIS HB3 . 50976 1 1005 . 1 . 1 103 103 HIS C C 13 177.1 0.02 . 1 . . . . . 103 HIS C . 50976 1 1006 . 1 . 1 103 103 HIS CA C 13 56.9 0.02 . 1 . . . . . 103 HIS CA . 50976 1 1007 . 1 . 1 103 103 HIS CB C 13 30.5 0.02 . 1 . . . . . 103 HIS CB . 50976 1 1008 . 1 . 1 103 103 HIS N N 15 125.9 0.1 . 1 . . . . . 103 HIS N . 50976 1 stop_ save_