data_50304 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50304 _Entry.Title ; EapH1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-04 _Entry.Accession_date 2020-06-04 _Entry.Last_release_date 2020-06-05 _Entry.Original_release_date 2020-06-05 _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 1 _Entry.Generated_software_label $software_1 _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details 'Backbone chemical shift' _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 Indrani Pal . . . . 50304 2 Alvaro Herrera . . . . 50304 3 Nitin Mishra . . . . 50304 4 Om Prakash . . . . 50304 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50304 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 325 50304 '15N chemical shifts' 111 50304 '1H chemical shifts' 111 50304 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 . . 2023-09-08 2020-06-04 update BMRB 'update entry citation' 50304 1 . . 2023-02-20 2020-06-04 original author 'original release' 50304 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50304 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 37160842 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Complete non-proline backbone resonance assignments of the S. aureus neutrophil serine protease inhibitor, EapH1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full 'Biomolecular NMR assignments' _Citation.Journal_volume 17 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1874-270X _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 129 _Citation.Page_last 134 _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 Nitin Mishra N. . . . 50304 1 2 Indrani Pal I. . . . 50304 1 3 Alvaro Herrera A. I. . . 50304 1 4 Abhinav Dubey A. . . . 50304 1 5 Haribabu Arthanari H. . . . 50304 1 6 Brian Geisbrecht B. V. . . 50304 1 7 Om Prakash O. . . . 50304 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'EapH1, Staph aureus, NMR chemical shift, NMR assignment' 50304 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50304 _Assembly.ID 1 _Assembly.Name EapH1 _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 . _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 EapH1 1 $entity_1 . . yes native no no . . . 50304 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50304 _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 ; GSTDSNNGYKELTMDGKHTV PYTISVDGITALHRTYFVFP ENKKVLYQEIDSKVKNELAS QRGVTTEKINNAQTATYTLT LNDGNKKVVNLKKNDDAKNS IDPSTIKQIQIVVK ; _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 114 _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 . GLY . 50304 1 2 . SER . 50304 1 3 . THR . 50304 1 4 . ASP . 50304 1 5 . SER . 50304 1 6 . ASN . 50304 1 7 . ASN . 50304 1 8 . GLY . 50304 1 9 . TYR . 50304 1 10 . LYS . 50304 1 11 . GLU . 50304 1 12 . LEU . 50304 1 13 . THR . 50304 1 14 . MET . 50304 1 15 . ASP . 50304 1 16 . GLY . 50304 1 17 . LYS . 50304 1 18 . HIS . 50304 1 19 . THR . 50304 1 20 . VAL . 50304 1 21 . PRO . 50304 1 22 . TYR . 50304 1 23 . THR . 50304 1 24 . ILE . 50304 1 25 . SER . 50304 1 26 . VAL . 50304 1 27 . ASP . 50304 1 28 . GLY . 50304 1 29 . ILE . 50304 1 30 . THR . 50304 1 31 . ALA . 50304 1 32 . LEU . 50304 1 33 . HIS . 50304 1 34 . ARG . 50304 1 35 . THR . 50304 1 36 . TYR . 50304 1 37 . PHE . 50304 1 38 . VAL . 50304 1 39 . PHE . 50304 1 40 . PRO . 50304 1 41 . GLU . 50304 1 42 . ASN . 50304 1 43 . LYS . 50304 1 44 . LYS . 50304 1 45 . VAL . 50304 1 46 . LEU . 50304 1 47 . TYR . 50304 1 48 . GLN . 50304 1 49 . GLU . 50304 1 50 . ILE . 50304 1 51 . ASP . 50304 1 52 . SER . 50304 1 53 . LYS . 50304 1 54 . VAL . 50304 1 55 . LYS . 50304 1 56 . ASN . 50304 1 57 . GLU . 50304 1 58 . LEU . 50304 1 59 . ALA . 50304 1 60 . SER . 50304 1 61 . GLN . 50304 1 62 . ARG . 50304 1 63 . GLY . 50304 1 64 . VAL . 50304 1 65 . THR . 50304 1 66 . THR . 50304 1 67 . GLU . 50304 1 68 . LYS . 50304 1 69 . ILE . 50304 1 70 . ASN . 50304 1 71 . ASN . 50304 1 72 . ALA . 50304 1 73 . GLN . 50304 1 74 . THR . 50304 1 75 . ALA . 50304 1 76 . THR . 50304 1 77 . TYR . 50304 1 78 . THR . 50304 1 79 . LEU . 50304 1 80 . THR . 50304 1 81 . LEU . 50304 1 82 . ASN . 50304 1 83 . ASP . 50304 1 84 . GLY . 50304 1 85 . ASN . 50304 1 86 . LYS . 50304 1 87 . LYS . 50304 1 88 . VAL . 50304 1 89 . VAL . 50304 1 90 . ASN . 50304 1 91 . LEU . 50304 1 92 . LYS . 50304 1 93 . LYS . 50304 1 94 . ASN . 50304 1 95 . ASP . 50304 1 96 . ASP . 50304 1 97 . ALA . 50304 1 98 . LYS . 50304 1 99 . ASN . 50304 1 100 . SER . 50304 1 101 . ILE . 50304 1 102 . ASP . 50304 1 103 . PRO . 50304 1 104 . SER . 50304 1 105 . THR . 50304 1 106 . ILE . 50304 1 107 . LYS . 50304 1 108 . GLN . 50304 1 109 . ILE . 50304 1 110 . GLN . 50304 1 111 . ILE . 50304 1 112 . VAL . 50304 1 113 . VAL . 50304 1 114 . LYS . 50304 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 . GLY 1 1 50304 1 . SER 2 2 50304 1 . THR 3 3 50304 1 . ASP 4 4 50304 1 . SER 5 5 50304 1 . ASN 6 6 50304 1 . ASN 7 7 50304 1 . GLY 8 8 50304 1 . TYR 9 9 50304 1 . LYS 10 10 50304 1 . GLU 11 11 50304 1 . LEU 12 12 50304 1 . THR 13 13 50304 1 . MET 14 14 50304 1 . ASP 15 15 50304 1 . GLY 16 16 50304 1 . LYS 17 17 50304 1 . HIS 18 18 50304 1 . THR 19 19 50304 1 . VAL 20 20 50304 1 . PRO 21 21 50304 1 . TYR 22 22 50304 1 . THR 23 23 50304 1 . ILE 24 24 50304 1 . SER 25 25 50304 1 . VAL 26 26 50304 1 . ASP 27 27 50304 1 . GLY 28 28 50304 1 . ILE 29 29 50304 1 . THR 30 30 50304 1 . ALA 31 31 50304 1 . LEU 32 32 50304 1 . HIS 33 33 50304 1 . ARG 34 34 50304 1 . THR 35 35 50304 1 . TYR 36 36 50304 1 . PHE 37 37 50304 1 . VAL 38 38 50304 1 . PHE 39 39 50304 1 . PRO 40 40 50304 1 . GLU 41 41 50304 1 . ASN 42 42 50304 1 . LYS 43 43 50304 1 . LYS 44 44 50304 1 . VAL 45 45 50304 1 . LEU 46 46 50304 1 . TYR 47 47 50304 1 . GLN 48 48 50304 1 . GLU 49 49 50304 1 . ILE 50 50 50304 1 . ASP 51 51 50304 1 . SER 52 52 50304 1 . LYS 53 53 50304 1 . VAL 54 54 50304 1 . LYS 55 55 50304 1 . ASN 56 56 50304 1 . GLU 57 57 50304 1 . LEU 58 58 50304 1 . ALA 59 59 50304 1 . SER 60 60 50304 1 . GLN 61 61 50304 1 . ARG 62 62 50304 1 . GLY 63 63 50304 1 . VAL 64 64 50304 1 . THR 65 65 50304 1 . THR 66 66 50304 1 . GLU 67 67 50304 1 . LYS 68 68 50304 1 . ILE 69 69 50304 1 . ASN 70 70 50304 1 . ASN 71 71 50304 1 . ALA 72 72 50304 1 . GLN 73 73 50304 1 . THR 74 74 50304 1 . ALA 75 75 50304 1 . THR 76 76 50304 1 . TYR 77 77 50304 1 . THR 78 78 50304 1 . LEU 79 79 50304 1 . THR 80 80 50304 1 . LEU 81 81 50304 1 . ASN 82 82 50304 1 . ASP 83 83 50304 1 . GLY 84 84 50304 1 . ASN 85 85 50304 1 . LYS 86 86 50304 1 . LYS 87 87 50304 1 . VAL 88 88 50304 1 . VAL 89 89 50304 1 . ASN 90 90 50304 1 . LEU 91 91 50304 1 . LYS 92 92 50304 1 . LYS 93 93 50304 1 . ASN 94 94 50304 1 . ASP 95 95 50304 1 . ASP 96 96 50304 1 . ALA 97 97 50304 1 . LYS 98 98 50304 1 . ASN 99 99 50304 1 . SER 100 100 50304 1 . ILE 101 101 50304 1 . ASP 102 102 50304 1 . PRO 103 103 50304 1 . SER 104 104 50304 1 . THR 105 105 50304 1 . ILE 106 106 50304 1 . LYS 107 107 50304 1 . GLN 108 108 50304 1 . ILE 109 109 50304 1 . GLN 110 110 50304 1 . ILE 111 111 50304 1 . VAL 112 112 50304 1 . VAL 113 113 50304 1 . LYS 114 114 50304 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 50304 _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 . 1280 organism . 'Staphylococcus aureus' 'Staphylococcus aureus' . . Bacteria . Staphylococcus aureus . . . . . . . . . . . . . 50304 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 50304 _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 . . . plasmid . . BL21(DE3) . . . 50304 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50304 _Sample.ID 1 _Sample.Name EapH1 _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 EapH1 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 800 600 1000 uM . . . . 50304 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 50304 _Sample_condition_list.ID 1 _Sample_condition_list.Name 'Room temparature' _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.6 . pH 50304 1 temperature 298 . K 50304 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50304 _Software.ID 1 _Software.Type . _Software.Name CARA _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50304 1 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 50304 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name '700 MHz Agilent' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 50304 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50304 1 2 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50304 1 3 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50304 1 4 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50304 1 5 '3D HCACO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50304 1 6 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50304 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 50304 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name DSS _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 carbons' . . . . ppm 0 internal indirect 1 . . . . . 50304 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 50304 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect . . . . . . 50304 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 50304 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name EapH1_backbone_chemicalshift_IP_06042020 _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 3 '3D HNCA' . . . 50304 1 4 '3D HNCACB' . . . 50304 1 5 '3D HCACO' . . . 50304 1 6 '3D HN(CO)CA' . . . 50304 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 . . 50304 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY H H 1 8.105 0.020 . 1 . . . . . 1 GLY H . 50304 1 2 . 1 . 1 1 1 GLY C C 13 174.280 0.3 . 1 . . . . . 1 GLY C . 50304 1 3 . 1 . 1 1 1 GLY CA C 13 45.513 0.3 . 1 . . . . . 1 GLY CA . 50304 1 4 . 1 . 1 1 1 GLY N N 15 120.042 0.3 . 1 . . . . . 1 GLY N . 50304 1 5 . 1 . 1 2 2 SER H H 1 8.412 0.020 . 1 . . . . . 2 SER H . 50304 1 6 . 1 . 1 2 2 SER C C 13 175.152 0.3 . 1 . . . . . 2 SER C . 50304 1 7 . 1 . 1 2 2 SER CA C 13 58.749 0.3 . 1 . . . . . 2 SER CA . 50304 1 8 . 1 . 1 2 2 SER N N 15 120.375 0.3 . 1 . . . . . 2 SER N . 50304 1 9 . 1 . 1 3 3 THR H H 1 8.317 0.020 . 1 . . . . . 3 THR H . 50304 1 10 . 1 . 1 3 3 THR C C 13 174.435 0.3 . 1 . . . . . 3 THR C . 50304 1 11 . 1 . 1 3 3 THR CA C 13 61.912 0.3 . 1 . . . . . 3 THR CA . 50304 1 12 . 1 . 1 3 3 THR CB C 13 69.423 0.3 . 1 . . . . . 3 THR CB . 50304 1 13 . 1 . 1 3 3 THR N N 15 114.718 0.3 . 1 . . . . . 3 THR N . 50304 1 14 . 1 . 1 4 4 ASP H H 1 8.229 0.020 . 1 . . . . . 4 ASP H . 50304 1 15 . 1 . 1 4 4 ASP C C 13 176.380 0.3 . 1 . . . . . 4 ASP C . 50304 1 16 . 1 . 1 4 4 ASP CA C 13 54.413 0.3 . 1 . . . . . 4 ASP CA . 50304 1 17 . 1 . 1 4 4 ASP CB C 13 41.243 0.3 . 1 . . . . . 4 ASP CB . 50304 1 18 . 1 . 1 4 4 ASP N N 15 122.342 0.3 . 1 . . . . . 4 ASP N . 50304 1 19 . 1 . 1 5 5 SER H H 1 8.267 0.020 . 1 . . . . . 5 SER H . 50304 1 20 . 1 . 1 5 5 SER C C 13 174.570 0.3 . 1 . . . . . 5 SER C . 50304 1 21 . 1 . 1 5 5 SER CA C 13 58.669 0.3 . 1 . . . . . 5 SER CA . 50304 1 22 . 1 . 1 5 5 SER CB C 13 63.552 0.3 . 1 . . . . . 5 SER CB . 50304 1 23 . 1 . 1 5 5 SER N N 15 116.054 0.3 . 1 . . . . . 5 SER N . 50304 1 24 . 1 . 1 6 6 ASN H H 1 8.487 0.020 . 1 . . . . . 6 ASN H . 50304 1 25 . 1 . 1 6 6 ASN C C 13 175.125 0.3 . 1 . . . . . 6 ASN C . 50304 1 26 . 1 . 1 6 6 ASN CA C 13 53.431 0.3 . 1 . . . . . 6 ASN CA . 50304 1 27 . 1 . 1 6 6 ASN CB C 13 38.681 0.3 . 1 . . . . . 6 ASN CB . 50304 1 28 . 1 . 1 6 6 ASN N N 15 120.468 0.3 . 1 . . . . . 6 ASN N . 50304 1 29 . 1 . 1 7 7 ASN H H 1 8.322 0.020 . 1 . . . . . 7 ASN H . 50304 1 30 . 1 . 1 7 7 ASN C C 13 175.675 0.3 . 1 . . . . . 7 ASN C . 50304 1 31 . 1 . 1 7 7 ASN CA C 13 53.431 0.3 . 1 . . . . . 7 ASN CA . 50304 1 32 . 1 . 1 7 7 ASN CB C 13 38.681 0.3 . 1 . . . . . 7 ASN CB . 50304 1 33 . 1 . 1 7 7 ASN N N 15 118.784 0.3 . 1 . . . . . 7 ASN N . 50304 1 34 . 1 . 1 8 8 GLY H H 1 8.339 0.020 . 1 . . . . . 8 GLY H . 50304 1 35 . 1 . 1 8 8 GLY C C 13 173.947 0.3 . 1 . . . . . 8 GLY C . 50304 1 36 . 1 . 1 8 8 GLY CA C 13 45.492 0.3 . 1 . . . . . 8 GLY CA . 50304 1 37 . 1 . 1 8 8 GLY N N 15 108.807 0.3 . 1 . . . . . 8 GLY N . 50304 1 38 . 1 . 1 9 9 TYR H H 1 7.985 0.020 . 1 . . . . . 9 TYR H . 50304 1 39 . 1 . 1 9 9 TYR C C 13 176.015 0.3 . 1 . . . . . 9 TYR C . 50304 1 40 . 1 . 1 9 9 TYR CA C 13 58.186 0.3 . 1 . . . . . 9 TYR CA . 50304 1 41 . 1 . 1 9 9 TYR CB C 13 38.361 0.3 . 1 . . . . . 9 TYR CB . 50304 1 42 . 1 . 1 9 9 TYR N N 15 120.212 0.3 . 1 . . . . . 9 TYR N . 50304 1 43 . 1 . 1 10 10 LYS H H 1 8.053 0.020 . 1 . . . . . 10 LYS H . 50304 1 44 . 1 . 1 10 10 LYS C C 13 175.900 0.3 . 1 . . . . . 10 LYS C . 50304 1 45 . 1 . 1 10 10 LYS CA C 13 56.345 0.3 . 1 . . . . . 10 LYS CA . 50304 1 46 . 1 . 1 10 10 LYS CB C 13 33.024 0.3 . 1 . . . . . 10 LYS CB . 50304 1 47 . 1 . 1 10 10 LYS N N 15 123.510 0.3 . 1 . . . . . 10 LYS N . 50304 1 48 . 1 . 1 11 11 GLU H H 1 8.311 0.020 . 1 . . . . . 11 GLU H . 50304 1 49 . 1 . 1 11 11 GLU C C 13 176.302 0.3 . 1 . . . . . 11 GLU C . 50304 1 50 . 1 . 1 11 11 GLU CA C 13 56.614 0.3 . 1 . . . . . 11 GLU CA . 50304 1 51 . 1 . 1 11 11 GLU CB C 13 29.928 0.3 . 1 . . . . . 11 GLU CB . 50304 1 52 . 1 . 1 11 11 GLU N N 15 121.861 0.3 . 1 . . . . . 11 GLU N . 50304 1 53 . 1 . 1 12 12 LEU H H 1 8.177 0.020 . 1 . . . . . 12 LEU H . 50304 1 54 . 1 . 1 12 12 LEU C C 13 177.299 0.3 . 1 . . . . . 12 LEU C . 50304 1 55 . 1 . 1 12 12 LEU CA C 13 55.272 0.3 . 1 . . . . . 12 LEU CA . 50304 1 56 . 1 . 1 12 12 LEU CB C 13 42.203 0.3 . 1 . . . . . 12 LEU CB . 50304 1 57 . 1 . 1 12 12 LEU N N 15 123.233 0.3 . 1 . . . . . 12 LEU N . 50304 1 58 . 1 . 1 13 13 THR H H 1 8.086 0.020 . 1 . . . . . 13 THR H . 50304 1 59 . 1 . 1 13 13 THR C C 13 174.475 0.3 . 1 . . . . . 13 THR C . 50304 1 60 . 1 . 1 13 13 THR CA C 13 61.753 0.3 . 1 . . . . . 13 THR CA . 50304 1 61 . 1 . 1 13 13 THR CB C 13 69.743 0.3 . 1 . . . . . 13 THR CB . 50304 1 62 . 1 . 1 13 13 THR N N 15 114.952 0.3 . 1 . . . . . 13 THR N . 50304 1 63 . 1 . 1 14 14 MET H H 1 8.473 0.020 . 1 . . . . . 14 MET H . 50304 1 64 . 1 . 1 14 14 MET C C 13 175.742 0.3 . 1 . . . . . 14 MET C . 50304 1 65 . 1 . 1 14 14 MET CA C 13 55.195 0.3 . 1 . . . . . 14 MET CA . 50304 1 66 . 1 . 1 14 14 MET CB C 13 33.024 0.3 . 1 . . . . . 14 MET CB . 50304 1 67 . 1 . 1 14 14 MET N N 15 122.541 0.3 . 1 . . . . . 14 MET N . 50304 1 68 . 1 . 1 15 15 ASP H H 1 8.289 0.020 . 1 . . . . . 15 ASP H . 50304 1 69 . 1 . 1 15 15 ASP C C 13 176.786 0.3 . 1 . . . . . 15 ASP C . 50304 1 70 . 1 . 1 15 15 ASP CA C 13 54.811 0.3 . 1 . . . . . 15 ASP CA . 50304 1 71 . 1 . 1 15 15 ASP CB C 13 40.923 0.3 . 1 . . . . . 15 ASP CB . 50304 1 72 . 1 . 1 15 15 ASP N N 15 121.532 0.3 . 1 . . . . . 15 ASP N . 50304 1 73 . 1 . 1 16 16 GLY H H 1 8.569 0.020 . 1 . . . . . 16 GLY H . 50304 1 74 . 1 . 1 16 16 GLY C C 13 174.096 0.3 . 1 . . . . . 16 GLY C . 50304 1 75 . 1 . 1 16 16 GLY CA C 13 45.760 0.3 . 1 . . . . . 16 GLY CA . 50304 1 76 . 1 . 1 16 16 GLY N N 15 109.762 0.3 . 1 . . . . . 16 GLY N . 50304 1 77 . 1 . 1 17 17 LYS H H 1 7.944 0.020 . 1 . . . . . 17 LYS H . 50304 1 78 . 1 . 1 17 17 LYS C C 13 174.960 0.3 . 1 . . . . . 17 LYS C . 50304 1 79 . 1 . 1 17 17 LYS CA C 13 55.080 0.3 . 1 . . . . . 17 LYS CA . 50304 1 80 . 1 . 1 17 17 LYS CB C 13 34.731 0.3 . 1 . . . . . 17 LYS CB . 50304 1 81 . 1 . 1 17 17 LYS N N 15 119.129 0.3 . 1 . . . . . 17 LYS N . 50304 1 82 . 1 . 1 18 18 HIS H H 1 9.177 0.020 . 1 . . . . . 18 HIS H . 50304 1 83 . 1 . 1 18 18 HIS C C 13 174.472 0.3 . 1 . . . . . 18 HIS C . 50304 1 84 . 1 . 1 18 18 HIS CA C 13 55.235 0.3 . 1 . . . . . 18 HIS CA . 50304 1 85 . 1 . 1 18 18 HIS CB C 13 31.636 0.3 . 1 . . . . . 18 HIS CB . 50304 1 86 . 1 . 1 18 18 HIS N N 15 121.530 0.3 . 1 . . . . . 18 HIS N . 50304 1 87 . 1 . 1 19 19 THR H H 1 8.252 0.020 . 1 . . . . . 19 THR H . 50304 1 88 . 1 . 1 19 19 THR C C 13 174.105 0.3 . 1 . . . . . 19 THR C . 50304 1 89 . 1 . 1 19 19 THR CA C 13 60.901 0.3 . 1 . . . . . 19 THR CA . 50304 1 90 . 1 . 1 19 19 THR CB C 13 69.981 0.3 . 1 . . . . . 19 THR CB . 50304 1 91 . 1 . 1 19 19 THR N N 15 120.141 0.3 . 1 . . . . . 19 THR N . 50304 1 92 . 1 . 1 20 20 VAL H H 1 9.294 0.020 . 1 . . . . . 20 VAL H . 50304 1 93 . 1 . 1 20 20 VAL C C 13 173.138 0.3 . 1 . . . . . 20 VAL C . 50304 1 94 . 1 . 1 20 20 VAL CA C 13 58.915 0.3 . 1 . . . . . 20 VAL CA . 50304 1 95 . 1 . 1 20 20 VAL CB C 13 36.167 0.3 . 1 . . . . . 20 VAL CB . 50304 1 96 . 1 . 1 20 20 VAL N N 15 124.185 0.3 . 1 . . . . . 20 VAL N . 50304 1 97 . 1 . 1 22 22 TYR H H 1 7.809 0.020 . 1 . . . . . 22 TYR H . 50304 1 98 . 1 . 1 22 22 TYR C C 13 174.003 0.3 . 1 . . . . . 22 TYR C . 50304 1 99 . 1 . 1 22 22 TYR CA C 13 55.233 0.3 . 1 . . . . . 22 TYR CA . 50304 1 100 . 1 . 1 22 22 TYR CB C 13 42.630 0.3 . 1 . . . . . 22 TYR CB . 50304 1 101 . 1 . 1 22 22 TYR N N 15 115.781 0.3 . 1 . . . . . 22 TYR N . 50304 1 102 . 1 . 1 23 23 THR H H 1 8.171 0.020 . 1 . . . . . 23 THR H . 50304 1 103 . 1 . 1 23 23 THR C C 13 173.788 0.3 . 1 . . . . . 23 THR C . 50304 1 104 . 1 . 1 23 23 THR CA C 13 58.992 0.3 . 1 . . . . . 23 THR CA . 50304 1 105 . 1 . 1 23 23 THR CB C 13 72.092 0.3 . 1 . . . . . 23 THR CB . 50304 1 106 . 1 . 1 23 23 THR N N 15 109.970 0.3 . 1 . . . . . 23 THR N . 50304 1 107 . 1 . 1 24 24 ILE H H 1 9.145 0.020 . 1 . . . . . 24 ILE H . 50304 1 108 . 1 . 1 24 24 ILE C C 13 174.183 0.3 . 1 . . . . . 24 ILE C . 50304 1 109 . 1 . 1 24 24 ILE CA C 13 61.331 0.3 . 1 . . . . . 24 ILE CA . 50304 1 110 . 1 . 1 24 24 ILE CB C 13 40.816 0.3 . 1 . . . . . 24 ILE CB . 50304 1 111 . 1 . 1 24 24 ILE N N 15 121.569 0.3 . 1 . . . . . 24 ILE N . 50304 1 112 . 1 . 1 25 25 SER H H 1 8.557 0.020 . 1 . . . . . 25 SER H . 50304 1 113 . 1 . 1 25 25 SER C C 13 174.183 0.3 . 1 . . . . . 25 SER C . 50304 1 114 . 1 . 1 25 25 SER CA C 13 55.885 0.3 . 1 . . . . . 25 SER CA . 50304 1 115 . 1 . 1 25 25 SER CB C 13 63.872 0.3 . 1 . . . . . 25 SER CB . 50304 1 116 . 1 . 1 25 25 SER N N 15 123.915 0.3 . 1 . . . . . 25 SER N . 50304 1 117 . 1 . 1 26 26 VAL H H 1 8.121 0.020 . 1 . . . . . 26 VAL H . 50304 1 118 . 1 . 1 26 26 VAL C C 13 176.468 0.3 . 1 . . . . . 26 VAL C . 50304 1 119 . 1 . 1 26 26 VAL CA C 13 60.603 0.3 . 1 . . . . . 26 VAL CA . 50304 1 120 . 1 . 1 26 26 VAL CB C 13 34.411 0.3 . 1 . . . . . 26 VAL CB . 50304 1 121 . 1 . 1 26 26 VAL N N 15 125.688 0.3 . 1 . . . . . 26 VAL N . 50304 1 122 . 1 . 1 27 27 ASP H H 1 9.274 0.020 . 1 . . . . . 27 ASP H . 50304 1 123 . 1 . 1 27 27 ASP C C 13 175.235 0.3 . 1 . . . . . 27 ASP C . 50304 1 124 . 1 . 1 27 27 ASP CA C 13 56.077 0.3 . 1 . . . . . 27 ASP CA . 50304 1 125 . 1 . 1 27 27 ASP CB C 13 39.215 0.3 . 1 . . . . . 27 ASP CB . 50304 1 126 . 1 . 1 27 27 ASP N N 15 126.996 0.3 . 1 . . . . . 27 ASP N . 50304 1 127 . 1 . 1 28 28 GLY H H 1 9.130 0.020 . 1 . . . . . 28 GLY H . 50304 1 128 . 1 . 1 28 28 GLY C C 13 174.086 0.3 . 1 . . . . . 28 GLY C . 50304 1 129 . 1 . 1 28 28 GLY CA C 13 45.147 0.3 . 1 . . . . . 28 GLY CA . 50304 1 130 . 1 . 1 28 28 GLY N N 15 103.199 0.3 . 1 . . . . . 28 GLY N . 50304 1 131 . 1 . 1 29 29 ILE H H 1 7.839 0.020 . 1 . . . . . 29 ILE H . 50304 1 132 . 1 . 1 29 29 ILE C C 13 176.579 0.3 . 1 . . . . . 29 ILE C . 50304 1 133 . 1 . 1 29 29 ILE CA C 13 60.104 0.3 . 1 . . . . . 29 ILE CA . 50304 1 134 . 1 . 1 29 29 ILE CB C 13 39.215 0.3 . 1 . . . . . 29 ILE CB . 50304 1 135 . 1 . 1 29 29 ILE N N 15 122.065 0.3 . 1 . . . . . 29 ILE N . 50304 1 136 . 1 . 1 30 30 THR H H 1 8.971 0.020 . 1 . . . . . 30 THR H . 50304 1 137 . 1 . 1 30 30 THR C C 13 173.532 0.3 . 1 . . . . . 30 THR C . 50304 1 138 . 1 . 1 30 30 THR CA C 13 61.216 0.3 . 1 . . . . . 30 THR CA . 50304 1 139 . 1 . 1 30 30 THR CB C 13 70.277 0.3 . 1 . . . . . 30 THR CB . 50304 1 140 . 1 . 1 30 30 THR N N 15 127.945 0.3 . 1 . . . . . 30 THR N . 50304 1 141 . 1 . 1 31 31 ALA H H 1 8.345 0.020 . 1 . . . . . 31 ALA H . 50304 1 142 . 1 . 1 31 31 ALA C C 13 177.592 0.3 . 1 . . . . . 31 ALA C . 50304 1 143 . 1 . 1 31 31 ALA CA C 13 52.280 0.3 . 1 . . . . . 31 ALA CA . 50304 1 144 . 1 . 1 31 31 ALA CB C 13 19.787 0.3 . 1 . . . . . 31 ALA CB . 50304 1 145 . 1 . 1 31 31 ALA N N 15 128.695 0.3 . 1 . . . . . 31 ALA N . 50304 1 146 . 1 . 1 32 32 LEU H H 1 8.367 0.020 . 1 . . . . . 32 LEU H . 50304 1 147 . 1 . 1 32 32 LEU C C 13 177.230 0.3 . 1 . . . . . 32 LEU C . 50304 1 148 . 1 . 1 32 32 LEU CA C 13 55.348 0.3 . 1 . . . . . 32 LEU CA . 50304 1 149 . 1 . 1 32 32 LEU CB C 13 42.319 0.3 . 1 . . . . . 32 LEU CB . 50304 1 150 . 1 . 1 32 32 LEU N N 15 120.666 0.3 . 1 . . . . . 32 LEU N . 50304 1 151 . 1 . 1 33 33 HIS H H 1 7.629 0.020 . 1 . . . . . 33 HIS H . 50304 1 152 . 1 . 1 33 33 HIS C C 13 174.753 0.3 . 1 . . . . . 33 HIS C . 50304 1 153 . 1 . 1 33 33 HIS CA C 13 55.348 0.3 . 1 . . . . . 33 HIS CA . 50304 1 154 . 1 . 1 33 33 HIS CB C 13 31.117 0.3 . 1 . . . . . 33 HIS CB . 50304 1 155 . 1 . 1 33 33 HIS N N 15 118.206 0.3 . 1 . . . . . 33 HIS N . 50304 1 156 . 1 . 1 34 34 ARG H H 1 8.126 0.020 . 1 . . . . . 34 ARG H . 50304 1 157 . 1 . 1 34 34 ARG C C 13 177.319 0.3 . 1 . . . . . 34 ARG C . 50304 1 158 . 1 . 1 34 34 ARG CA C 13 55.365 0.3 . 1 . . . . . 34 ARG CA . 50304 1 159 . 1 . 1 34 34 ARG CB C 13 30.196 0.3 . 1 . . . . . 34 ARG CB . 50304 1 160 . 1 . 1 34 34 ARG N N 15 123.017 0.3 . 1 . . . . . 34 ARG N . 50304 1 161 . 1 . 1 35 35 THR H H 1 7.846 0.020 . 1 . . . . . 35 THR H . 50304 1 162 . 1 . 1 35 35 THR C C 13 173.005 0.3 . 1 . . . . . 35 THR C . 50304 1 163 . 1 . 1 35 35 THR CA C 13 58.861 0.3 . 1 . . . . . 35 THR CA . 50304 1 164 . 1 . 1 35 35 THR CB C 13 70.947 0.3 . 1 . . . . . 35 THR CB . 50304 1 165 . 1 . 1 35 35 THR N N 15 114.549 0.3 . 1 . . . . . 35 THR N . 50304 1 166 . 1 . 1 36 36 TYR H H 1 8.192 0.020 . 1 . . . . . 36 TYR H . 50304 1 167 . 1 . 1 36 36 TYR C C 13 175.914 0.3 . 1 . . . . . 36 TYR C . 50304 1 168 . 1 . 1 36 36 TYR CA C 13 56.385 0.3 . 1 . . . . . 36 TYR CA . 50304 1 169 . 1 . 1 36 36 TYR CB C 13 41.188 0.3 . 1 . . . . . 36 TYR CB . 50304 1 170 . 1 . 1 36 36 TYR N N 15 117.420 0.3 . 1 . . . . . 36 TYR N . 50304 1 171 . 1 . 1 37 37 PHE H H 1 9.339 0.020 . 1 . . . . . 37 PHE H . 50304 1 172 . 1 . 1 37 37 PHE C C 13 175.083 0.3 . 1 . . . . . 37 PHE C . 50304 1 173 . 1 . 1 37 37 PHE CA C 13 55.157 0.3 . 1 . . . . . 37 PHE CA . 50304 1 174 . 1 . 1 37 37 PHE CB C 13 42.759 0.3 . 1 . . . . . 37 PHE CB . 50304 1 175 . 1 . 1 37 37 PHE N N 15 121.245 0.3 . 1 . . . . . 37 PHE N . 50304 1 176 . 1 . 1 38 38 VAL H H 1 8.371 0.020 . 1 . . . . . 38 VAL H . 50304 1 177 . 1 . 1 38 38 VAL C C 13 174.861 0.3 . 1 . . . . . 38 VAL C . 50304 1 178 . 1 . 1 38 38 VAL CA C 13 61.178 0.3 . 1 . . . . . 38 VAL CA . 50304 1 179 . 1 . 1 38 38 VAL CB C 13 33.878 0.3 . 1 . . . . . 38 VAL CB . 50304 1 180 . 1 . 1 38 38 VAL N N 15 119.308 0.3 . 1 . . . . . 38 VAL N . 50304 1 181 . 1 . 1 39 39 PHE H H 1 8.977 0.020 . 1 . . . . . 39 PHE H . 50304 1 182 . 1 . 1 39 39 PHE C C 13 173.130 0.3 . 1 . . . . . 39 PHE C . 50304 1 183 . 1 . 1 39 39 PHE CA C 13 54.926 0.3 . 1 . . . . . 39 PHE CA . 50304 1 184 . 1 . 1 39 39 PHE CB C 13 41.805 0.3 . 1 . . . . . 39 PHE CB . 50304 1 185 . 1 . 1 39 39 PHE N N 15 123.662 0.3 . 1 . . . . . 39 PHE N . 50304 1 186 . 1 . 1 41 41 GLU H H 1 8.231 0.020 . 1 . . . . . 41 GLU H . 50304 1 187 . 1 . 1 41 41 GLU C C 13 176.343 0.3 . 1 . . . . . 41 GLU C . 50304 1 188 . 1 . 1 41 41 GLU CA C 13 56.737 0.3 . 1 . . . . . 41 GLU CA . 50304 1 189 . 1 . 1 41 41 GLU CB C 13 30.568 0.3 . 1 . . . . . 41 GLU CB . 50304 1 190 . 1 . 1 41 41 GLU N N 15 120.291 0.3 . 1 . . . . . 41 GLU N . 50304 1 191 . 1 . 1 42 42 ASN H H 1 8.790 0.020 . 1 . . . . . 42 ASN H . 50304 1 192 . 1 . 1 42 42 ASN C C 13 174.044 0.3 . 1 . . . . . 42 ASN C . 50304 1 193 . 1 . 1 42 42 ASN CA C 13 54.044 0.3 . 1 . . . . . 42 ASN CA . 50304 1 194 . 1 . 1 42 42 ASN CB C 13 37.720 0.3 . 1 . . . . . 42 ASN CB . 50304 1 195 . 1 . 1 42 42 ASN N N 15 115.626 0.3 . 1 . . . . . 42 ASN N . 50304 1 196 . 1 . 1 43 43 LYS H H 1 7.303 0.020 . 1 . . . . . 43 LYS H . 50304 1 197 . 1 . 1 43 43 LYS C C 13 175.443 0.3 . 1 . . . . . 43 LYS C . 50304 1 198 . 1 . 1 43 43 LYS CA C 13 55.272 0.3 . 1 . . . . . 43 LYS CA . 50304 1 199 . 1 . 1 43 43 LYS CB C 13 34.838 0.3 . 1 . . . . . 43 LYS CB . 50304 1 200 . 1 . 1 43 43 LYS N N 15 118.124 0.3 . 1 . . . . . 43 LYS N . 50304 1 201 . 1 . 1 44 44 LYS H H 1 8.441 0.020 . 1 . . . . . 44 LYS H . 50304 1 202 . 1 . 1 44 44 LYS C C 13 176.025 0.3 . 1 . . . . . 44 LYS C . 50304 1 203 . 1 . 1 44 44 LYS CA C 13 57.189 0.3 . 1 . . . . . 44 LYS CA . 50304 1 204 . 1 . 1 44 44 LYS CB C 13 33.024 0.3 . 1 . . . . . 44 LYS CB . 50304 1 205 . 1 . 1 44 44 LYS N N 15 122.481 0.3 . 1 . . . . . 44 LYS N . 50304 1 206 . 1 . 1 45 45 VAL H H 1 8.386 0.020 . 1 . . . . . 45 VAL H . 50304 1 207 . 1 . 1 45 45 VAL C C 13 174.654 0.3 . 1 . . . . . 45 VAL C . 50304 1 208 . 1 . 1 45 45 VAL CA C 13 58.915 0.3 . 1 . . . . . 45 VAL CA . 50304 1 209 . 1 . 1 45 45 VAL CB C 13 34.945 0.3 . 1 . . . . . 45 VAL CB . 50304 1 210 . 1 . 1 45 45 VAL N N 15 115.903 0.3 . 1 . . . . . 45 VAL N . 50304 1 211 . 1 . 1 46 46 LEU H H 1 8.682 0.020 . 1 . . . . . 46 LEU H . 50304 1 212 . 1 . 1 46 46 LEU C C 13 180.706 0.3 . 1 . . . . . 46 LEU C . 50304 1 213 . 1 . 1 46 46 LEU CA C 13 53.776 0.3 . 1 . . . . . 46 LEU CA . 50304 1 214 . 1 . 1 46 46 LEU CB C 13 42.630 0.3 . 1 . . . . . 46 LEU CB . 50304 1 215 . 1 . 1 46 46 LEU N N 15 121.464 0.3 . 1 . . . . . 46 LEU N . 50304 1 216 . 1 . 1 47 47 TYR H H 1 8.908 0.020 . 1 . . . . . 47 TYR H . 50304 1 217 . 1 . 1 47 47 TYR C C 13 178.628 0.3 . 1 . . . . . 47 TYR C . 50304 1 218 . 1 . 1 47 47 TYR CA C 13 64.016 0.3 . 1 . . . . . 47 TYR CA . 50304 1 219 . 1 . 1 47 47 TYR CB C 13 37.293 0.3 . 1 . . . . . 47 TYR CB . 50304 1 220 . 1 . 1 47 47 TYR N N 15 121.994 0.3 . 1 . . . . . 47 TYR N . 50304 1 221 . 1 . 1 48 48 GLN H H 1 9.014 0.020 . 1 . . . . . 48 GLN H . 50304 1 222 . 1 . 1 48 48 GLN C C 13 177.811 0.3 . 1 . . . . . 48 GLN C . 50304 1 223 . 1 . 1 48 48 GLN CA C 13 58.532 0.3 . 1 . . . . . 48 GLN CA . 50304 1 224 . 1 . 1 48 48 GLN CB C 13 28.540 0.3 . 1 . . . . . 48 GLN CB . 50304 1 225 . 1 . 1 48 48 GLN N N 15 114.964 0.3 . 1 . . . . . 48 GLN N . 50304 1 226 . 1 . 1 49 49 GLU H H 1 7.684 0.020 . 1 . . . . . 49 GLU H . 50304 1 227 . 1 . 1 49 49 GLU C C 13 179.459 0.3 . 1 . . . . . 49 GLU C . 50304 1 228 . 1 . 1 49 49 GLU CA C 13 59.145 0.3 . 1 . . . . . 49 GLU CA . 50304 1 229 . 1 . 1 49 49 GLU CB C 13 29.394 0.3 . 1 . . . . . 49 GLU CB . 50304 1 230 . 1 . 1 49 49 GLU N N 15 119.406 0.3 . 1 . . . . . 49 GLU N . 50304 1 231 . 1 . 1 50 50 ILE H H 1 7.358 0.020 . 1 . . . . . 50 ILE H . 50304 1 232 . 1 . 1 50 50 ILE C C 13 177.396 0.3 . 1 . . . . . 50 ILE C . 50304 1 233 . 1 . 1 50 50 ILE CA C 13 66.164 0.3 . 1 . . . . . 50 ILE CA . 50304 1 234 . 1 . 1 50 50 ILE CB C 13 36.653 0.3 . 1 . . . . . 50 ILE CB . 50304 1 235 . 1 . 1 50 50 ILE N N 15 121.385 0.3 . 1 . . . . . 50 ILE N . 50304 1 236 . 1 . 1 51 51 ASP H H 1 9.199 0.020 . 1 . . . . . 51 ASP H . 50304 1 237 . 1 . 1 51 51 ASP C C 13 178.434 0.3 . 1 . . . . . 51 ASP C . 50304 1 238 . 1 . 1 51 51 ASP CA C 13 58.110 0.3 . 1 . . . . . 51 ASP CA . 50304 1 239 . 1 . 1 51 51 ASP CB C 13 40.282 0.3 . 1 . . . . . 51 ASP CB . 50304 1 240 . 1 . 1 51 51 ASP N N 15 120.496 0.3 . 1 . . . . . 51 ASP N . 50304 1 241 . 1 . 1 52 52 SER H H 1 7.792 0.020 . 1 . . . . . 52 SER H . 50304 1 242 . 1 . 1 52 52 SER C C 13 179.264 0.3 . 1 . . . . . 52 SER C . 50304 1 243 . 1 . 1 52 52 SER CA C 13 61.791 0.3 . 1 . . . . . 52 SER CA . 50304 1 244 . 1 . 1 52 52 SER CB C 13 62.698 0.3 . 1 . . . . . 52 SER CB . 50304 1 245 . 1 . 1 52 52 SER N N 15 112.467 0.3 . 1 . . . . . 52 SER N . 50304 1 246 . 1 . 1 53 53 LYS H H 1 7.504 0.020 . 1 . . . . . 53 LYS H . 50304 1 247 . 1 . 1 53 53 LYS C C 13 179.238 0.3 . 1 . . . . . 53 LYS C . 50304 1 248 . 1 . 1 53 53 LYS CA C 13 60.066 0.3 . 1 . . . . . 53 LYS CA . 50304 1 249 . 1 . 1 53 53 LYS CB C 13 32.276 0.3 . 1 . . . . . 53 LYS CB . 50304 1 250 . 1 . 1 53 53 LYS N N 15 122.625 0.3 . 1 . . . . . 53 LYS N . 50304 1 251 . 1 . 1 54 54 VAL H H 1 8.559 0.020 . 1 . . . . . 54 VAL H . 50304 1 252 . 1 . 1 54 54 VAL C C 13 177.977 0.3 . 1 . . . . . 54 VAL C . 50304 1 253 . 1 . 1 54 54 VAL CA C 13 67.161 0.3 . 1 . . . . . 54 VAL CA . 50304 1 254 . 1 . 1 54 54 VAL CB C 13 31.102 0.3 . 1 . . . . . 54 VAL CB . 50304 1 255 . 1 . 1 54 54 VAL N N 15 119.259 0.3 . 1 . . . . . 54 VAL N . 50304 1 256 . 1 . 1 55 55 LYS H H 1 8.694 0.020 . 1 . . . . . 55 LYS H . 50304 1 257 . 1 . 1 55 55 LYS C C 13 179.709 0.3 . 1 . . . . . 55 LYS C . 50304 1 258 . 1 . 1 55 55 LYS CA C 13 61.063 0.3 . 1 . . . . . 55 LYS CA . 50304 1 259 . 1 . 1 55 55 LYS CB C 13 31.956 0.3 . 1 . . . . . 55 LYS CB . 50304 1 260 . 1 . 1 55 55 LYS N N 15 118.583 0.3 . 1 . . . . . 55 LYS N . 50304 1 261 . 1 . 1 56 56 ASN H H 1 8.451 0.020 . 1 . . . . . 56 ASN H . 50304 1 262 . 1 . 1 56 56 ASN C C 13 178.254 0.3 . 1 . . . . . 56 ASN C . 50304 1 263 . 1 . 1 56 56 ASN CA C 13 56.499 0.3 . 1 . . . . . 56 ASN CA . 50304 1 264 . 1 . 1 56 56 ASN CB C 13 38.040 0.3 . 1 . . . . . 56 ASN CB . 50304 1 265 . 1 . 1 56 56 ASN N N 15 119.332 0.3 . 1 . . . . . 56 ASN N . 50304 1 266 . 1 . 1 57 57 GLU H H 1 7.988 0.020 . 1 . . . . . 57 GLU H . 50304 1 267 . 1 . 1 57 57 GLU C C 13 179.515 0.3 . 1 . . . . . 57 GLU C . 50304 1 268 . 1 . 1 57 57 GLU CA C 13 58.148 0.3 . 1 . . . . . 57 GLU CA . 50304 1 269 . 1 . 1 57 57 GLU CB C 13 28.754 0.3 . 1 . . . . . 57 GLU CB . 50304 1 270 . 1 . 1 57 57 GLU N N 15 119.749 0.3 . 1 . . . . . 57 GLU N . 50304 1 271 . 1 . 1 58 58 LEU H H 1 8.573 0.020 . 1 . . . . . 58 LEU H . 50304 1 272 . 1 . 1 58 58 LEU C C 13 179.612 0.3 . 1 . . . . . 58 LEU C . 50304 1 273 . 1 . 1 58 58 LEU CA C 13 58.647 0.3 . 1 . . . . . 58 LEU CA . 50304 1 274 . 1 . 1 58 58 LEU CB C 13 41.777 0.3 . 1 . . . . . 58 LEU CB . 50304 1 275 . 1 . 1 58 58 LEU N N 15 120.426 0.3 . 1 . . . . . 58 LEU N . 50304 1 276 . 1 . 1 59 59 ALA H H 1 7.727 0.020 . 1 . . . . . 59 ALA H . 50304 1 277 . 1 . 1 59 59 ALA C C 13 180.124 0.3 . 1 . . . . . 59 ALA C . 50304 1 278 . 1 . 1 59 59 ALA CA C 13 55.502 0.3 . 1 . . . . . 59 ALA CA . 50304 1 279 . 1 . 1 59 59 ALA CB C 13 18.506 0.3 . 1 . . . . . 59 ALA CB . 50304 1 280 . 1 . 1 59 59 ALA N N 15 121.795 0.3 . 1 . . . . . 59 ALA N . 50304 1 281 . 1 . 1 60 60 SER H H 1 8.548 0.020 . 1 . . . . . 60 SER H . 50304 1 282 . 1 . 1 60 60 SER CA C 13 61.216 0.3 . 1 . . . . . 60 SER CA . 50304 1 283 . 1 . 1 60 60 SER CB C 13 63.232 0.3 . 1 . . . . . 60 SER CB . 50304 1 284 . 1 . 1 60 60 SER N N 15 114.140 0.3 . 1 . . . . . 60 SER N . 50304 1 285 . 1 . 1 61 61 GLN H H 1 8.988 0.020 . 1 . . . . . 61 GLN H . 50304 1 286 . 1 . 1 61 61 GLN C C 13 178.601 0.3 . 1 . . . . . 61 GLN C . 50304 1 287 . 1 . 1 61 61 GLN CA C 13 58.225 0.3 . 1 . . . . . 61 GLN CA . 50304 1 288 . 1 . 1 61 61 GLN CB C 13 29.821 0.3 . 1 . . . . . 61 GLN CB . 50304 1 289 . 1 . 1 61 61 GLN N N 15 115.777 0.3 . 1 . . . . . 61 GLN N . 50304 1 290 . 1 . 1 62 62 ARG H H 1 6.811 0.020 . 1 . . . . . 62 ARG H . 50304 1 291 . 1 . 1 62 62 ARG C C 13 176.274 0.3 . 1 . . . . . 62 ARG C . 50304 1 292 . 1 . 1 62 62 ARG CA C 13 52.165 0.3 . 1 . . . . . 62 ARG CA . 50304 1 293 . 1 . 1 62 62 ARG CB C 13 31.529 0.3 . 1 . . . . . 62 ARG CB . 50304 1 294 . 1 . 1 62 62 ARG N N 15 111.872 0.3 . 1 . . . . . 62 ARG N . 50304 1 295 . 1 . 1 63 63 GLY H H 1 7.690 0.020 . 1 . . . . . 63 GLY H . 50304 1 296 . 1 . 1 63 63 GLY C C 13 174.377 0.3 . 1 . . . . . 63 GLY C . 50304 1 297 . 1 . 1 63 63 GLY CA C 13 46.796 0.3 . 1 . . . . . 63 GLY CA . 50304 1 298 . 1 . 1 63 63 GLY N N 15 110.318 0.3 . 1 . . . . . 63 GLY N . 50304 1 299 . 1 . 1 64 64 VAL H H 1 7.719 0.020 . 1 . . . . . 64 VAL H . 50304 1 300 . 1 . 1 64 64 VAL C C 13 174.363 0.3 . 1 . . . . . 64 VAL C . 50304 1 301 . 1 . 1 64 64 VAL CA C 13 63.172 0.3 . 1 . . . . . 64 VAL CA . 50304 1 302 . 1 . 1 64 64 VAL CB C 13 31.209 0.3 . 1 . . . . . 64 VAL CB . 50304 1 303 . 1 . 1 64 64 VAL N N 15 122.132 0.3 . 1 . . . . . 64 VAL N . 50304 1 304 . 1 . 1 65 65 THR H H 1 7.105 0.020 . 1 . . . . . 65 THR H . 50304 1 305 . 1 . 1 65 65 THR C C 13 175.152 0.3 . 1 . . . . . 65 THR C . 50304 1 306 . 1 . 1 65 65 THR CA C 13 59.759 0.3 . 1 . . . . . 65 THR CA . 50304 1 307 . 1 . 1 65 65 THR CB C 13 71.771 0.3 . 1 . . . . . 65 THR CB . 50304 1 308 . 1 . 1 65 65 THR N N 15 117.552 0.3 . 1 . . . . . 65 THR N . 50304 1 309 . 1 . 1 66 66 THR H H 1 8.707 0.020 . 1 . . . . . 66 THR H . 50304 1 310 . 1 . 1 66 66 THR C C 13 175.680 0.3 . 1 . . . . . 66 THR C . 50304 1 311 . 1 . 1 66 66 THR CA C 13 66.816 0.3 . 1 . . . . . 66 THR CA . 50304 1 312 . 1 . 1 66 66 THR CB C 13 68.569 0.3 . 1 . . . . . 66 THR CB . 50304 1 313 . 1 . 1 66 66 THR N N 15 116.054 0.3 . 1 . . . . . 66 THR N . 50304 1 314 . 1 . 1 67 67 GLU H H 1 8.390 0.020 . 1 . . . . . 67 GLU H . 50304 1 315 . 1 . 1 67 67 GLU C C 13 177.950 0.3 . 1 . . . . . 67 GLU C . 50304 1 316 . 1 . 1 67 67 GLU CA C 13 60.066 0.3 . 1 . . . . . 67 GLU CA . 50304 1 317 . 1 . 1 67 67 GLU CB C 13 29.017 0.3 . 1 . . . . . 67 GLU CB . 50304 1 318 . 1 . 1 67 67 GLU N N 15 120.601 0.3 . 1 . . . . . 67 GLU N . 50304 1 319 . 1 . 1 68 68 LYS H H 1 7.407 0.020 . 1 . . . . . 68 LYS H . 50304 1 320 . 1 . 1 68 68 LYS C C 13 179.196 0.3 . 1 . . . . . 68 LYS C . 50304 1 321 . 1 . 1 68 68 LYS CA C 13 58.877 0.3 . 1 . . . . . 68 LYS CA . 50304 1 322 . 1 . 1 68 68 LYS CB C 13 32.170 0.3 . 1 . . . . . 68 LYS CB . 50304 1 323 . 1 . 1 68 68 LYS N N 15 119.749 0.3 . 1 . . . . . 68 LYS N . 50304 1 324 . 1 . 1 69 69 ILE H H 1 7.843 0.020 . 1 . . . . . 69 ILE H . 50304 1 325 . 1 . 1 69 69 ILE C C 13 177.236 0.3 . 1 . . . . . 69 ILE C . 50304 1 326 . 1 . 1 69 69 ILE CA C 13 65.934 0.3 . 1 . . . . . 69 ILE CA . 50304 1 327 . 1 . 1 69 69 ILE CB C 13 37.934 0.3 . 1 . . . . . 69 ILE CB . 50304 1 328 . 1 . 1 69 69 ILE N N 15 119.207 0.3 . 1 . . . . . 69 ILE N . 50304 1 329 . 1 . 1 70 70 ASN H H 1 8.267 0.020 . 1 . . . . . 70 ASN H . 50304 1 330 . 1 . 1 70 70 ASN C C 13 177.105 0.3 . 1 . . . . . 70 ASN C . 50304 1 331 . 1 . 1 70 70 ASN CA C 13 55.809 0.3 . 1 . . . . . 70 ASN CA . 50304 1 332 . 1 . 1 70 70 ASN CB C 13 38.040 0.3 . 1 . . . . . 70 ASN CB . 50304 1 333 . 1 . 1 70 70 ASN N N 15 115.993 0.3 . 1 . . . . . 70 ASN N . 50304 1 334 . 1 . 1 71 71 ASN H H 1 7.759 0.020 . 1 . . . . . 71 ASN H . 50304 1 335 . 1 . 1 71 71 ASN C C 13 175.028 0.3 . 1 . . . . . 71 ASN C . 50304 1 336 . 1 . 1 71 71 ASN CA C 13 53.277 0.3 . 1 . . . . . 71 ASN CA . 50304 1 337 . 1 . 1 71 71 ASN CB C 13 39.535 0.3 . 1 . . . . . 71 ASN CB . 50304 1 338 . 1 . 1 71 71 ASN N N 15 115.909 0.3 . 1 . . . . . 71 ASN N . 50304 1 339 . 1 . 1 72 72 ALA H H 1 7.447 0.020 . 1 . . . . . 72 ALA H . 50304 1 340 . 1 . 1 72 72 ALA C C 13 177.839 0.3 . 1 . . . . . 72 ALA C . 50304 1 341 . 1 . 1 72 72 ALA CA C 13 52.472 0.3 . 1 . . . . . 72 ALA CA . 50304 1 342 . 1 . 1 72 72 ALA CB C 13 18.720 0.3 . 1 . . . . . 72 ALA CB . 50304 1 343 . 1 . 1 72 72 ALA N N 15 124.497 0.3 . 1 . . . . . 72 ALA N . 50304 1 344 . 1 . 1 73 73 GLN H H 1 9.310 0.020 . 1 . . . . . 73 GLN H . 50304 1 345 . 1 . 1 73 73 GLN C C 13 177.745 0.3 . 1 . . . . . 73 GLN C . 50304 1 346 . 1 . 1 73 73 GLN CA C 13 59.068 0.3 . 1 . . . . . 73 GLN CA . 50304 1 347 . 1 . 1 73 73 GLN CB C 13 28.861 0.3 . 1 . . . . . 73 GLN CB . 50304 1 348 . 1 . 1 73 73 GLN N N 15 124.597 0.3 . 1 . . . . . 73 GLN N . 50304 1 349 . 1 . 1 74 74 THR H H 1 8.646 0.020 . 1 . . . . . 74 THR H . 50304 1 350 . 1 . 1 74 74 THR C C 13 171.330 0.3 . 1 . . . . . 74 THR C . 50304 1 351 . 1 . 1 74 74 THR CA C 13 61.446 0.3 . 1 . . . . . 74 THR CA . 50304 1 352 . 1 . 1 74 74 THR CB C 13 71.344 0.3 . 1 . . . . . 74 THR CB . 50304 1 353 . 1 . 1 74 74 THR N N 15 114.002 0.3 . 1 . . . . . 74 THR N . 50304 1 354 . 1 . 1 75 75 ALA H H 1 9.178 0.020 . 1 . . . . . 75 ALA H . 50304 1 355 . 1 . 1 75 75 ALA C C 13 174.460 0.3 . 1 . . . . . 75 ALA C . 50304 1 356 . 1 . 1 75 75 ALA CA C 13 51.206 0.3 . 1 . . . . . 75 ALA CA . 50304 1 357 . 1 . 1 75 75 ALA CB C 13 21.068 0.3 . 1 . . . . . 75 ALA CB . 50304 1 358 . 1 . 1 75 75 ALA N N 15 130.470 0.3 . 1 . . . . . 75 ALA N . 50304 1 359 . 1 . 1 76 76 THR H H 1 9.101 0.020 . 1 . . . . . 76 THR H . 50304 1 360 . 1 . 1 76 76 THR C C 13 174.640 0.3 . 1 . . . . . 76 THR C . 50304 1 361 . 1 . 1 76 76 THR CA C 13 59.030 0.3 . 1 . . . . . 76 THR CA . 50304 1 362 . 1 . 1 76 76 THR CB C 13 74.547 0.3 . 1 . . . . . 76 THR CB . 50304 1 363 . 1 . 1 76 76 THR N N 15 114.080 0.3 . 1 . . . . . 76 THR N . 50304 1 364 . 1 . 1 77 77 TYR H H 1 8.848 0.020 . 1 . . . . . 77 TYR H . 50304 1 365 . 1 . 1 77 77 TYR C C 13 172.756 0.3 . 1 . . . . . 77 TYR C . 50304 1 366 . 1 . 1 77 77 TYR CA C 13 56.614 0.3 . 1 . . . . . 77 TYR CA . 50304 1 367 . 1 . 1 77 77 TYR CB C 13 42.737 0.3 . 1 . . . . . 77 TYR CB . 50304 1 368 . 1 . 1 77 77 TYR N N 15 112.892 0.3 . 1 . . . . . 77 TYR N . 50304 1 369 . 1 . 1 78 78 THR H H 1 9.093 0.020 . 1 . . . . . 78 THR H . 50304 1 370 . 1 . 1 78 78 THR C C 13 175.831 0.3 . 1 . . . . . 78 THR C . 50304 1 371 . 1 . 1 78 78 THR CA C 13 61.255 0.3 . 1 . . . . . 78 THR CA . 50304 1 372 . 1 . 1 78 78 THR CB C 13 70.917 0.3 . 1 . . . . . 78 THR CB . 50304 1 373 . 1 . 1 78 78 THR N N 15 117.354 0.3 . 1 . . . . . 78 THR N . 50304 1 374 . 1 . 1 79 79 LEU H H 1 10.006 0.020 . 1 . . . . . 79 LEU H . 50304 1 375 . 1 . 1 79 79 LEU C C 13 176.080 0.3 . 1 . . . . . 79 LEU C . 50304 1 376 . 1 . 1 79 79 LEU CA C 13 54.159 0.3 . 1 . . . . . 79 LEU CA . 50304 1 377 . 1 . 1 79 79 LEU CB C 13 43.271 0.3 . 1 . . . . . 79 LEU CB . 50304 1 378 . 1 . 1 79 79 LEU N N 15 130.449 0.3 . 1 . . . . . 79 LEU N . 50304 1 379 . 1 . 1 80 80 THR H H 1 8.808 0.020 . 1 . . . . . 80 THR H . 50304 1 380 . 1 . 1 80 80 THR C C 13 174.100 0.3 . 1 . . . . . 80 THR C . 50304 1 381 . 1 . 1 80 80 THR CA C 13 63.402 0.3 . 1 . . . . . 80 THR CA . 50304 1 382 . 1 . 1 80 80 THR CB C 13 68.996 0.3 . 1 . . . . . 80 THR CB . 50304 1 383 . 1 . 1 80 80 THR N N 15 120.904 0.3 . 1 . . . . . 80 THR N . 50304 1 384 . 1 . 1 81 81 LEU H H 1 9.071 0.020 . 1 . . . . . 81 LEU H . 50304 1 385 . 1 . 1 81 81 LEU C C 13 179.362 0.3 . 1 . . . . . 81 LEU C . 50304 1 386 . 1 . 1 81 81 LEU CA C 13 53.776 0.3 . 1 . . . . . 81 LEU CA . 50304 1 387 . 1 . 1 81 81 LEU CB C 13 41.990 0.3 . 1 . . . . . 81 LEU CB . 50304 1 388 . 1 . 1 81 81 LEU N N 15 127.967 0.3 . 1 . . . . . 81 LEU N . 50304 1 389 . 1 . 1 82 82 ASN H H 1 8.965 0.020 . 1 . . . . . 82 ASN H . 50304 1 390 . 1 . 1 82 82 ASN C C 13 175.568 0.3 . 1 . . . . . 82 ASN C . 50304 1 391 . 1 . 1 82 82 ASN CA C 13 55.617 0.3 . 1 . . . . . 82 ASN CA . 50304 1 392 . 1 . 1 82 82 ASN CB C 13 37.614 0.3 . 1 . . . . . 82 ASN CB . 50304 1 393 . 1 . 1 82 82 ASN N N 15 119.948 0.3 . 1 . . . . . 82 ASN N . 50304 1 394 . 1 . 1 83 83 ASP H H 1 7.868 0.020 . 1 . . . . . 83 ASP H . 50304 1 395 . 1 . 1 83 83 ASP C C 13 177.091 0.3 . 1 . . . . . 83 ASP C . 50304 1 396 . 1 . 1 83 83 ASP CA C 13 53.354 0.3 . 1 . . . . . 83 ASP CA . 50304 1 397 . 1 . 1 83 83 ASP CB C 13 40.175 0.3 . 1 . . . . . 83 ASP CB . 50304 1 398 . 1 . 1 83 83 ASP N N 15 117.348 0.3 . 1 . . . . . 83 ASP N . 50304 1 399 . 1 . 1 84 84 GLY H H 1 8.098 0.020 . 1 . . . . . 84 GLY H . 50304 1 400 . 1 . 1 84 84 GLY C C 13 174.723 0.3 . 1 . . . . . 84 GLY C . 50304 1 401 . 1 . 1 84 84 GLY CA C 13 44.916 0.3 . 1 . . . . . 84 GLY CA . 50304 1 402 . 1 . 1 84 84 GLY N N 15 108.119 0.3 . 1 . . . . . 84 GLY N . 50304 1 403 . 1 . 1 85 85 ASN H H 1 8.254 0.020 . 1 . . . . . 85 ASN H . 50304 1 404 . 1 . 1 85 85 ASN C C 13 173.435 0.3 . 1 . . . . . 85 ASN C . 50304 1 405 . 1 . 1 85 85 ASN CA C 13 53.853 0.3 . 1 . . . . . 85 ASN CA . 50304 1 406 . 1 . 1 85 85 ASN CB C 13 39.642 0.3 . 1 . . . . . 85 ASN CB . 50304 1 407 . 1 . 1 85 85 ASN N N 15 119.570 0.3 . 1 . . . . . 85 ASN N . 50304 1 408 . 1 . 1 86 86 LYS H H 1 8.365 0.020 . 1 . . . . . 86 LYS H . 50304 1 409 . 1 . 1 86 86 LYS C C 13 176.205 0.3 . 1 . . . . . 86 LYS C . 50304 1 410 . 1 . 1 86 86 LYS CA C 13 54.543 0.3 . 1 . . . . . 86 LYS CA . 50304 1 411 . 1 . 1 86 86 LYS CB C 13 36.226 0.3 . 1 . . . . . 86 LYS CB . 50304 1 412 . 1 . 1 86 86 LYS N N 15 117.077 0.3 . 1 . . . . . 86 LYS N . 50304 1 413 . 1 . 1 87 87 LYS H H 1 8.731 0.020 . 1 . . . . . 87 LYS H . 50304 1 414 . 1 . 1 87 87 LYS C C 13 173.878 0.3 . 1 . . . . . 87 LYS C . 50304 1 415 . 1 . 1 87 87 LYS CA C 13 54.811 0.3 . 1 . . . . . 87 LYS CA . 50304 1 416 . 1 . 1 87 87 LYS CB C 13 36.037 0.3 . 1 . . . . . 87 LYS CB . 50304 1 417 . 1 . 1 87 87 LYS N N 15 123.155 0.3 . 1 . . . . . 87 LYS N . 50304 1 418 . 1 . 1 88 88 VAL H H 1 8.959 0.020 . 1 . . . . . 88 VAL H . 50304 1 419 . 1 . 1 88 88 VAL C C 13 175.152 0.3 . 1 . . . . . 88 VAL C . 50304 1 420 . 1 . 1 88 88 VAL CA C 13 62.328 0.3 . 1 . . . . . 88 VAL CA . 50304 1 421 . 1 . 1 88 88 VAL CB C 13 32.383 0.3 . 1 . . . . . 88 VAL CB . 50304 1 422 . 1 . 1 88 88 VAL N N 15 129.170 0.3 . 1 . . . . . 88 VAL N . 50304 1 423 . 1 . 1 89 89 VAL H H 1 9.193 0.020 . 1 . . . . . 89 VAL H . 50304 1 424 . 1 . 1 89 89 VAL C C 13 174.100 0.3 . 1 . . . . . 89 VAL C . 50304 1 425 . 1 . 1 89 89 VAL CA C 13 61.370 0.3 . 1 . . . . . 89 VAL CA . 50304 1 426 . 1 . 1 89 89 VAL CB C 13 32.607 0.3 . 1 . . . . . 89 VAL CB . 50304 1 427 . 1 . 1 89 89 VAL N N 15 131.092 0.3 . 1 . . . . . 89 VAL N . 50304 1 428 . 1 . 1 90 90 ASN H H 1 8.576 0.020 . 1 . . . . . 90 ASN H . 50304 1 429 . 1 . 1 90 90 ASN C C 13 176.039 0.3 . 1 . . . . . 90 ASN C . 50304 1 430 . 1 . 1 90 90 ASN CA C 13 52.357 0.3 . 1 . . . . . 90 ASN CA . 50304 1 431 . 1 . 1 90 90 ASN CB C 13 38.361 0.3 . 1 . . . . . 90 ASN CB . 50304 1 432 . 1 . 1 90 90 ASN N N 15 125.415 0.3 . 1 . . . . . 90 ASN N . 50304 1 433 . 1 . 1 91 91 LEU H H 1 8.840 0.020 . 1 . . . . . 91 LEU H . 50304 1 434 . 1 . 1 91 91 LEU C C 13 178.365 0.3 . 1 . . . . . 91 LEU C . 50304 1 435 . 1 . 1 91 91 LEU CA C 13 56.269 0.3 . 1 . . . . . 91 LEU CA . 50304 1 436 . 1 . 1 91 91 LEU CB C 13 43.591 0.3 . 1 . . . . . 91 LEU CB . 50304 1 437 . 1 . 1 91 91 LEU N N 15 124.661 0.3 . 1 . . . . . 91 LEU N . 50304 1 438 . 1 . 1 92 92 LYS H H 1 8.291 0.020 . 1 . . . . . 92 LYS H . 50304 1 439 . 1 . 1 92 92 LYS C C 13 177.119 0.3 . 1 . . . . . 92 LYS C . 50304 1 440 . 1 . 1 92 92 LYS CA C 13 58.685 0.3 . 1 . . . . . 92 LYS CA . 50304 1 441 . 1 . 1 92 92 LYS CB C 13 32.810 0.3 . 1 . . . . . 92 LYS CB . 50304 1 442 . 1 . 1 92 92 LYS N N 15 116.728 0.3 . 1 . . . . . 92 LYS N . 50304 1 443 . 1 . 1 93 93 LYS H H 1 6.580 0.020 . 1 . . . . . 93 LYS H . 50304 1 444 . 1 . 1 93 93 LYS C C 13 173.269 0.3 . 1 . . . . . 93 LYS C . 50304 1 445 . 1 . 1 93 93 LYS CA C 13 56.614 0.3 . 1 . . . . . 93 LYS CA . 50304 1 446 . 1 . 1 93 93 LYS CB C 13 33.144 0.3 . 1 . . . . . 93 LYS CB . 50304 1 447 . 1 . 1 93 93 LYS N N 15 116.845 0.3 . 1 . . . . . 93 LYS N . 50304 1 448 . 1 . 1 94 94 ASN H H 1 8.886 0.020 . 1 . . . . . 94 ASN H . 50304 1 449 . 1 . 1 94 94 ASN C C 13 176.814 0.3 . 1 . . . . . 94 ASN C . 50304 1 450 . 1 . 1 94 94 ASN CA C 13 51.475 0.3 . 1 . . . . . 94 ASN CA . 50304 1 451 . 1 . 1 94 94 ASN CB C 13 37.827 0.3 . 1 . . . . . 94 ASN CB . 50304 1 452 . 1 . 1 94 94 ASN N N 15 123.624 0.3 . 1 . . . . . 94 ASN N . 50304 1 453 . 1 . 1 95 95 ASP H H 1 8.849 0.020 . 1 . . . . . 95 ASP H . 50304 1 454 . 1 . 1 95 95 ASP C C 13 176.551 0.3 . 1 . . . . . 95 ASP C . 50304 1 455 . 1 . 1 95 95 ASP CA C 13 56.461 0.3 . 1 . . . . . 95 ASP CA . 50304 1 456 . 1 . 1 95 95 ASP CB C 13 40.282 0.3 . 1 . . . . . 95 ASP CB . 50304 1 457 . 1 . 1 95 95 ASP N N 15 126.448 0.3 . 1 . . . . . 95 ASP N . 50304 1 458 . 1 . 1 96 96 ASP H H 1 7.927 0.020 . 1 . . . . . 96 ASP H . 50304 1 459 . 1 . 1 96 96 ASP C C 13 176.177 0.3 . 1 . . . . . 96 ASP C . 50304 1 460 . 1 . 1 96 96 ASP CA C 13 54.543 0.3 . 1 . . . . . 96 ASP CA . 50304 1 461 . 1 . 1 96 96 ASP CB C 13 41.350 0.3 . 1 . . . . . 96 ASP CB . 50304 1 462 . 1 . 1 96 96 ASP N N 15 118.310 0.3 . 1 . . . . . 96 ASP N . 50304 1 463 . 1 . 1 97 97 ALA H H 1 7.105 0.020 . 1 . . . . . 97 ALA H . 50304 1 464 . 1 . 1 97 97 ALA C C 13 177.507 0.3 . 1 . . . . . 97 ALA C . 50304 1 465 . 1 . 1 97 97 ALA CA C 13 56.461 0.3 . 1 . . . . . 97 ALA CA . 50304 1 466 . 1 . 1 97 97 ALA CB C 13 19.574 0.3 . 1 . . . . . 97 ALA CB . 50304 1 467 . 1 . 1 97 97 ALA N N 15 121.072 0.3 . 1 . . . . . 97 ALA N . 50304 1 468 . 1 . 1 98 98 LYS H H 1 8.298 0.020 . 1 . . . . . 98 LYS H . 50304 1 469 . 1 . 1 98 98 LYS C C 13 176.786 0.3 . 1 . . . . . 98 LYS C . 50304 1 470 . 1 . 1 98 98 LYS CA C 13 55.502 0.3 . 1 . . . . . 98 LYS CA . 50304 1 471 . 1 . 1 98 98 LYS CB C 13 31.422 0.3 . 1 . . . . . 98 LYS CB . 50304 1 472 . 1 . 1 98 98 LYS N N 15 110.786 0.3 . 1 . . . . . 98 LYS N . 50304 1 473 . 1 . 1 99 99 ASN H H 1 8.109 0.020 . 1 . . . . . 99 ASN H . 50304 1 474 . 1 . 1 99 99 ASN C C 13 173.989 0.3 . 1 . . . . . 99 ASN C . 50304 1 475 . 1 . 1 99 99 ASN CA C 13 52.587 0.3 . 1 . . . . . 99 ASN CA . 50304 1 476 . 1 . 1 99 99 ASN CB C 13 38.574 0.3 . 1 . . . . . 99 ASN CB . 50304 1 477 . 1 . 1 99 99 ASN N N 15 119.815 0.3 . 1 . . . . . 99 ASN N . 50304 1 478 . 1 . 1 100 100 SER H H 1 8.556 0.020 . 1 . . . . . 100 SER H . 50304 1 479 . 1 . 1 100 100 SER C C 13 173.296 0.3 . 1 . . . . . 100 SER C . 50304 1 480 . 1 . 1 100 100 SER CA C 13 57.228 0.3 . 1 . . . . . 100 SER CA . 50304 1 481 . 1 . 1 100 100 SER CB C 13 66.968 0.3 . 1 . . . . . 100 SER CB . 50304 1 482 . 1 . 1 100 100 SER N N 15 113.749 0.3 . 1 . . . . . 100 SER N . 50304 1 483 . 1 . 1 101 101 ILE H H 1 9.082 0.020 . 1 . . . . . 101 ILE H . 50304 1 484 . 1 . 1 101 101 ILE C C 13 172.396 0.3 . 1 . . . . . 101 ILE C . 50304 1 485 . 1 . 1 101 101 ILE CA C 13 58.953 0.3 . 1 . . . . . 101 ILE CA . 50304 1 486 . 1 . 1 101 101 ILE CB C 13 41.456 0.3 . 1 . . . . . 101 ILE CB . 50304 1 487 . 1 . 1 101 101 ILE N N 15 119.935 0.3 . 1 . . . . . 101 ILE N . 50304 1 488 . 1 . 1 102 102 ASP H H 1 8.518 0.020 . 1 . . . . . 102 ASP H . 50304 1 489 . 1 . 1 102 102 ASP C C 13 175.542 0.3 . 1 . . . . . 102 ASP C . 50304 1 490 . 1 . 1 102 102 ASP CA C 13 50.286 0.3 . 1 . . . . . 102 ASP CA . 50304 1 491 . 1 . 1 102 102 ASP CB C 13 41.054 0.3 . 1 . . . . . 102 ASP CB . 50304 1 492 . 1 . 1 102 102 ASP N N 15 125.312 0.3 . 1 . . . . . 102 ASP N . 50304 1 493 . 1 . 1 104 104 SER H H 1 8.158 0.020 . 1 . . . . . 104 SER H . 50304 1 494 . 1 . 1 104 104 SER C C 13 174.709 0.3 . 1 . . . . . 104 SER C . 50304 1 495 . 1 . 1 104 104 SER CA C 13 61.063 0.3 . 1 . . . . . 104 SER CA . 50304 1 496 . 1 . 1 104 104 SER CB C 13 62.442 0.3 . 1 . . . . . 104 SER CB . 50304 1 497 . 1 . 1 104 104 SER N N 15 114.378 0.3 . 1 . . . . . 104 SER N . 50304 1 498 . 1 . 1 105 105 THR H H 1 7.599 0.020 . 1 . . . . . 105 THR H . 50304 1 499 . 1 . 1 105 105 THR C C 13 173.407 0.3 . 1 . . . . . 105 THR C . 50304 1 500 . 1 . 1 105 105 THR CA C 13 62.290 0.3 . 1 . . . . . 105 THR CA . 50304 1 501 . 1 . 1 105 105 THR CB C 13 70.246 0.3 . 1 . . . . . 105 THR CB . 50304 1 502 . 1 . 1 105 105 THR N N 15 109.558 0.3 . 1 . . . . . 105 THR N . 50304 1 503 . 1 . 1 106 106 ILE H H 1 7.438 0.020 . 1 . . . . . 106 ILE H . 50304 1 504 . 1 . 1 106 106 ILE C C 13 174.944 0.3 . 1 . . . . . 106 ILE C . 50304 1 505 . 1 . 1 106 106 ILE CA C 13 62.522 0.3 . 1 . . . . . 106 ILE CA . 50304 1 506 . 1 . 1 106 106 ILE CB C 13 38.718 0.3 . 1 . . . . . 106 ILE CB . 50304 1 507 . 1 . 1 106 106 ILE N N 15 120.567 0.3 . 1 . . . . . 106 ILE N . 50304 1 508 . 1 . 1 107 107 LYS H H 1 9.469 0.020 . 1 . . . . . 107 LYS H . 50304 1 509 . 1 . 1 107 107 LYS C C 13 176.648 0.3 . 1 . . . . . 107 LYS C . 50304 1 510 . 1 . 1 107 107 LYS CA C 13 57.227 0.3 . 1 . . . . . 107 LYS CA . 50304 1 511 . 1 . 1 107 107 LYS CB C 13 38.598 0.3 . 1 . . . . . 107 LYS CB . 50304 1 512 . 1 . 1 107 107 LYS N N 15 127.801 0.3 . 1 . . . . . 107 LYS N . 50304 1 513 . 1 . 1 108 108 GLN H H 1 7.685 0.020 . 1 . . . . . 108 GLN H . 50304 1 514 . 1 . 1 108 108 GLN C C 13 173.795 0.3 . 1 . . . . . 108 GLN C . 50304 1 515 . 1 . 1 108 108 GLN CA C 13 55.847 0.3 . 1 . . . . . 108 GLN CA . 50304 1 516 . 1 . 1 108 108 GLN CB C 13 31.499 0.3 . 1 . . . . . 108 GLN CB . 50304 1 517 . 1 . 1 108 108 GLN N N 15 113.731 0.3 . 1 . . . . . 108 GLN N . 50304 1 518 . 1 . 1 109 109 ILE H H 1 8.390 0.020 . 1 . . . . . 109 ILE H . 50304 1 519 . 1 . 1 109 109 ILE C C 13 174.335 0.3 . 1 . . . . . 109 ILE C . 50304 1 520 . 1 . 1 109 109 ILE CA C 13 60.871 0.3 . 1 . . . . . 109 ILE CA . 50304 1 521 . 1 . 1 109 109 ILE CB C 13 41.538 0.3 . 1 . . . . . 109 ILE CB . 50304 1 522 . 1 . 1 109 109 ILE N N 15 120.667 0.3 . 1 . . . . . 109 ILE N . 50304 1 523 . 1 . 1 110 110 GLN H H 1 8.646 0.020 . 1 . . . . . 110 GLN H . 50304 1 524 . 1 . 1 110 110 GLN C C 13 175.568 0.3 . 1 . . . . . 110 GLN C . 50304 1 525 . 1 . 1 110 110 GLN CA C 13 54.888 0.3 . 1 . . . . . 110 GLN CA . 50304 1 526 . 1 . 1 110 110 GLN CB C 13 31.767 0.3 . 1 . . . . . 110 GLN CB . 50304 1 527 . 1 . 1 110 110 GLN N N 15 126.444 0.3 . 1 . . . . . 110 GLN N . 50304 1 528 . 1 . 1 111 111 ILE H H 1 9.094 0.020 . 1 . . . . . 111 ILE H . 50304 1 529 . 1 . 1 111 111 ILE C C 13 175.180 0.3 . 1 . . . . . 111 ILE C . 50304 1 530 . 1 . 1 111 111 ILE CA C 13 62.055 0.3 . 1 . . . . . 111 ILE CA . 50304 1 531 . 1 . 1 111 111 ILE CB C 13 39.188 0.3 . 1 . . . . . 111 ILE CB . 50304 1 532 . 1 . 1 111 111 ILE N N 15 129.997 0.3 . 1 . . . . . 111 ILE N . 50304 1 533 . 1 . 1 112 112 VAL H H 1 9.452 0.020 . 1 . . . . . 112 VAL H . 50304 1 534 . 1 . 1 112 112 VAL C C 13 173.864 0.3 . 1 . . . . . 112 VAL C . 50304 1 535 . 1 . 1 112 112 VAL CA C 13 62.360 0.3 . 1 . . . . . 112 VAL CA . 50304 1 536 . 1 . 1 112 112 VAL CB C 13 35.374 0.3 . 1 . . . . . 112 VAL CB . 50304 1 537 . 1 . 1 112 112 VAL N N 15 130.961 0.3 . 1 . . . . . 112 VAL N . 50304 1 538 . 1 . 1 113 113 VAL H H 1 8.711 0.020 . 1 . . . . . 113 VAL H . 50304 1 539 . 1 . 1 113 113 VAL C C 13 175.014 0.3 . 1 . . . . . 113 VAL C . 50304 1 540 . 1 . 1 113 113 VAL CA C 13 61.099 0.3 . 1 . . . . . 113 VAL CA . 50304 1 541 . 1 . 1 113 113 VAL CB C 13 35.192 0.3 . 1 . . . . . 113 VAL CB . 50304 1 542 . 1 . 1 113 113 VAL N N 15 126.854 0.3 . 1 . . . . . 113 VAL N . 50304 1 543 . 1 . 1 114 114 LYS H H 1 9.312 0.020 . 1 . . . . . 114 LYS H . 50304 1 544 . 1 . 1 114 114 LYS C C 13 179.016 0.3 . 1 . . . . . 114 LYS C . 50304 1 545 . 1 . 1 114 114 LYS CA C 13 58.305 0.3 . 1 . . . . . 114 LYS CA . 50304 1 546 . 1 . 1 114 114 LYS CB C 13 34.302 0.3 . 1 . . . . . 114 LYS CB . 50304 1 547 . 1 . 1 114 114 LYS N N 15 132.943 0.3 . 1 . . . . . 114 LYS N . 50304 1 stop_ save_