data_50337 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 50337 _Entry.Title ; SARS Cov2 nsp7 backbone assignments ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2020-06-22 _Entry.Accession_date 2020-06-22 _Entry.Last_release_date 2020-06-22 _Entry.Original_release_date 2020-06-22 _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 Marco Tonelli . . . . 50337 2 'Robert N' Kirchdoerf . . . . 50337 3 Katherine Henzler-Wildman . . . . 50337 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 50337 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 372 50337 '15N chemical shifts' 93 50337 '1H chemical shifts' 625 50337 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2021-04-12 2020-06-22 update BMRB 'update entry citation' 50337 1 . . 2021-03-11 2020-06-22 original author 'original release' 50337 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 50337 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 33219414 _Citation.DOI 10.1007/s12104-020-09985-0 _Citation.Full_citation . _Citation.Title ; 1H, 13C, and 15N backbone and side chain chemical shift assignments of the SARS-CoV-2 non-structural protein 7 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biomol. NMR Assign.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 1 _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 73 _Citation.Page_last 77 _Citation.Year 2021 _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 Marco Tonelli . . . . 50337 1 2 Chad Rienstra . . . . 50337 1 3 Thomas Anderson . K. . . 50337 1 4 Robert Kirchdoerf . . . . 50337 1 5 Katherine Henzler-Wildman . . . . 50337 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 50337 _Assembly.ID 1 _Assembly.Name nsp7 _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 nsp7 1 $entity_1 . . yes native no no . . . 50337 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 50337 _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 ; GSKMSDVKCTSVVLLSVLQQ LRVESSSKLWAQCVQLHNDI LLAKDTTEAFEKMVSLLSVL LSMQGAVDINKLCEEMLDNR ATLQ ; _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 84 _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 . 50337 1 2 . SER . 50337 1 3 . LYS . 50337 1 4 . MET . 50337 1 5 . SER . 50337 1 6 . ASP . 50337 1 7 . VAL . 50337 1 8 . LYS . 50337 1 9 . CYS . 50337 1 10 . THR . 50337 1 11 . SER . 50337 1 12 . VAL . 50337 1 13 . VAL . 50337 1 14 . LEU . 50337 1 15 . LEU . 50337 1 16 . SER . 50337 1 17 . VAL . 50337 1 18 . LEU . 50337 1 19 . GLN . 50337 1 20 . GLN . 50337 1 21 . LEU . 50337 1 22 . ARG . 50337 1 23 . VAL . 50337 1 24 . GLU . 50337 1 25 . SER . 50337 1 26 . SER . 50337 1 27 . SER . 50337 1 28 . LYS . 50337 1 29 . LEU . 50337 1 30 . TRP . 50337 1 31 . ALA . 50337 1 32 . GLN . 50337 1 33 . CYS . 50337 1 34 . VAL . 50337 1 35 . GLN . 50337 1 36 . LEU . 50337 1 37 . HIS . 50337 1 38 . ASN . 50337 1 39 . ASP . 50337 1 40 . ILE . 50337 1 41 . LEU . 50337 1 42 . LEU . 50337 1 43 . ALA . 50337 1 44 . LYS . 50337 1 45 . ASP . 50337 1 46 . THR . 50337 1 47 . THR . 50337 1 48 . GLU . 50337 1 49 . ALA . 50337 1 50 . PHE . 50337 1 51 . GLU . 50337 1 52 . LYS . 50337 1 53 . MET . 50337 1 54 . VAL . 50337 1 55 . SER . 50337 1 56 . LEU . 50337 1 57 . LEU . 50337 1 58 . SER . 50337 1 59 . VAL . 50337 1 60 . LEU . 50337 1 61 . LEU . 50337 1 62 . SER . 50337 1 63 . MET . 50337 1 64 . GLN . 50337 1 65 . GLY . 50337 1 66 . ALA . 50337 1 67 . VAL . 50337 1 68 . ASP . 50337 1 69 . ILE . 50337 1 70 . ASN . 50337 1 71 . LYS . 50337 1 72 . LEU . 50337 1 73 . CYS . 50337 1 74 . GLU . 50337 1 75 . GLU . 50337 1 76 . MET . 50337 1 77 . LEU . 50337 1 78 . ASP . 50337 1 79 . ASN . 50337 1 80 . ARG . 50337 1 81 . ALA . 50337 1 82 . THR . 50337 1 83 . LEU . 50337 1 84 . GLN . 50337 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 50337 1 . SER 2 2 50337 1 . LYS 3 3 50337 1 . MET 4 4 50337 1 . SER 5 5 50337 1 . ASP 6 6 50337 1 . VAL 7 7 50337 1 . LYS 8 8 50337 1 . CYS 9 9 50337 1 . THR 10 10 50337 1 . SER 11 11 50337 1 . VAL 12 12 50337 1 . VAL 13 13 50337 1 . LEU 14 14 50337 1 . LEU 15 15 50337 1 . SER 16 16 50337 1 . VAL 17 17 50337 1 . LEU 18 18 50337 1 . GLN 19 19 50337 1 . GLN 20 20 50337 1 . LEU 21 21 50337 1 . ARG 22 22 50337 1 . VAL 23 23 50337 1 . GLU 24 24 50337 1 . SER 25 25 50337 1 . SER 26 26 50337 1 . SER 27 27 50337 1 . LYS 28 28 50337 1 . LEU 29 29 50337 1 . TRP 30 30 50337 1 . ALA 31 31 50337 1 . GLN 32 32 50337 1 . CYS 33 33 50337 1 . VAL 34 34 50337 1 . GLN 35 35 50337 1 . LEU 36 36 50337 1 . HIS 37 37 50337 1 . ASN 38 38 50337 1 . ASP 39 39 50337 1 . ILE 40 40 50337 1 . LEU 41 41 50337 1 . LEU 42 42 50337 1 . ALA 43 43 50337 1 . LYS 44 44 50337 1 . ASP 45 45 50337 1 . THR 46 46 50337 1 . THR 47 47 50337 1 . GLU 48 48 50337 1 . ALA 49 49 50337 1 . PHE 50 50 50337 1 . GLU 51 51 50337 1 . LYS 52 52 50337 1 . MET 53 53 50337 1 . VAL 54 54 50337 1 . SER 55 55 50337 1 . LEU 56 56 50337 1 . LEU 57 57 50337 1 . SER 58 58 50337 1 . VAL 59 59 50337 1 . LEU 60 60 50337 1 . LEU 61 61 50337 1 . SER 62 62 50337 1 . MET 63 63 50337 1 . GLN 64 64 50337 1 . GLY 65 65 50337 1 . ALA 66 66 50337 1 . VAL 67 67 50337 1 . ASP 68 68 50337 1 . ILE 69 69 50337 1 . ASN 70 70 50337 1 . LYS 71 71 50337 1 . LEU 72 72 50337 1 . CYS 73 73 50337 1 . GLU 74 74 50337 1 . GLU 75 75 50337 1 . MET 76 76 50337 1 . LEU 77 77 50337 1 . ASP 78 78 50337 1 . ASN 79 79 50337 1 . ARG 80 80 50337 1 . ALA 81 81 50337 1 . THR 82 82 50337 1 . LEU 83 83 50337 1 . GLN 84 84 50337 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 50337 _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 . 2697049 organism . 'SARS CoV2' 'SARS CoV2' . . Viruses . Betacoronavirus HCoV-SARS . . . . . . . . . . . . . 50337 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 50337 _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 . . pET46 . . . 50337 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 50337 _Sample.ID 1 _Sample.Name CN-NSP7 _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 nsp7 '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 1.7 . . mM . . . . 50337 1 2 MOPS 'natural abundance' . . . . . . 10 . . mM . . . . 50337 1 3 'sodium chloride' 'natural abundance' . . . . . . 150 . . mM . . . . 50337 1 4 DTT 'natural abundance' . . . . . . 2 . . mM . . . . 50337 1 5 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 50337 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 50337 _Sample_condition_list.ID 1 _Sample_condition_list.Name standard _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 7.0 . pH 50337 1 pressure 1 . atm 50337 1 temperature 298 . K 50337 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 50337 _Software.ID 1 _Software.Type . _Software.Name VNMRj _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID collection . 50337 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 50337 _Software.ID 2 _Software.Type . _Software.Name NMRPipe _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID processing . 50337 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 50337 _Software.ID 3 _Software.Type . _Software.Name NMRFAM-SPARKY _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50337 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 50337 _Software.ID 4 _Software.Type . _Software.Name I-PINE _Software.Version . _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 50337 4 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 50337 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name jaulan _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model VXRS _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 50337 _Experiment_list.ID 1 _Experiment_list.Details ; All experiments for the backbone and side chain assignments of nsp7 were recorded at 298K using 600 MHz Varian VNMRS and Bruker Avance III spectrometers, equipped an H/C/N Cryoprobe. All spectra were acquired using standard pulse sequences optimized to achieve the best performance on cryogenic probes and with non-uniform sampling. ; 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 . . . . . . . . . . . . . . . . . 50337 1 2 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50337 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50337 1 4 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50337 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50337 1 6 '2D 1H-13C-HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50337 1 7 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50337 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50337 1 9 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50337 1 10 '3D H(C)CH-TOCSY aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50337 1 11 '3D NOESY 1H-13C-HSQC aliphatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50337 1 12 '2D 1H-13C-HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50337 1 13 '3D (HB)CB(CGCD)HE' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50337 1 14 '3D H(C)CH-TOCSY aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50337 1 15 '2D NOESY 1H-13C-HSQC aromatic' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 50337 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 50337 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name reference1 _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 water protons . . . . ppm 4.773 internal indirect 0.251449530 . . . . . 50337 1 H 1 water protons . . . . ppm 4.773 internal direct 1 . . . . . 50337 1 N 15 water protons . . . . ppm 4.773 internal indirect 0.101329118 . . . . . 50337 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 50337 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name 'nsp7 backbone' _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 '2D 1H-15N HSQC' . . . 50337 1 2 '3D HNCACB' . . . 50337 1 3 '3D CBCA(CO)NH' . . . 50337 1 4 '3D HNCO' . . . 50337 1 5 '3D HN(CA)CO' . . . 50337 1 6 '2D 1H-13C-HSQC aliphatic' . . . 50337 1 7 '3D C(CO)NH' . . . 50337 1 8 '3D HBHA(CO)NH' . . . 50337 1 9 '3D H(CCO)NH' . . . 50337 1 10 '3D H(C)CH-TOCSY aliphatic' . . . 50337 1 11 '3D NOESY 1H-13C-HSQC aliphatic' . . . 50337 1 12 '2D 1H-13C-HSQC aromatic' . . . 50337 1 13 '3D (HB)CB(CGCD)HE' . . . 50337 1 14 '3D H(C)CH-TOCSY aromatic' . . . 50337 1 15 '2D NOESY 1H-13C-HSQC aromatic' . . . 50337 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 . . 50337 1 2 $software_2 . . 50337 1 3 $software_3 . . 50337 1 4 $software_4 . . 50337 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 2 2 SER HA H 1 4.520 0.00 . . . . . . . 2 SER HA . 50337 1 2 . 1 . 1 2 2 SER HB2 H 1 3.873 0.00 . . . . . . . 2 SER HB . 50337 1 3 . 1 . 1 2 2 SER HB3 H 1 3.873 0.00 . . . . . . . 2 SER HB . 50337 1 4 . 1 . 1 2 2 SER C C 13 174.420 0.00 . . . . . . . 2 SER C . 50337 1 5 . 1 . 1 2 2 SER CA C 13 58.312 0.00 . . . . . . . 2 SER CA . 50337 1 6 . 1 . 1 2 2 SER CB C 13 64.135 0.00 . . . . . . . 2 SER CB . 50337 1 7 . 1 . 1 3 3 LYS H H 1 8.533 0.00 . . . . . . . 3 LYS H . 50337 1 8 . 1 . 1 3 3 LYS HA H 1 4.370 0.00 . . . . . . . 3 LYS HA . 50337 1 9 . 1 . 1 3 3 LYS HB2 H 1 1.857 0.00 . . . . . . . 3 LYS HB2 . 50337 1 10 . 1 . 1 3 3 LYS HB3 H 1 1.774 0.00 . . . . . . . 3 LYS HB3 . 50337 1 11 . 1 . 1 3 3 LYS HG2 H 1 1.446 0.00 . . . . . . . 3 LYS HG . 50337 1 12 . 1 . 1 3 3 LYS HG3 H 1 1.446 0.00 . . . . . . . 3 LYS HG . 50337 1 13 . 1 . 1 3 3 LYS HD2 H 1 1.682 0.00 . . . . . . . 3 LYS HD . 50337 1 14 . 1 . 1 3 3 LYS HD3 H 1 1.682 0.00 . . . . . . . 3 LYS HD . 50337 1 15 . 1 . 1 3 3 LYS HE2 H 1 2.994 0.00 . . . . . . . 3 LYS HE . 50337 1 16 . 1 . 1 3 3 LYS HE3 H 1 2.994 0.00 . . . . . . . 3 LYS HE . 50337 1 17 . 1 . 1 3 3 LYS C C 13 176.792 0.00 . . . . . . . 3 LYS C . 50337 1 18 . 1 . 1 3 3 LYS CA C 13 56.496 0.00 . . . . . . . 3 LYS CA . 50337 1 19 . 1 . 1 3 3 LYS CB C 13 33.062 0.00 . . . . . . . 3 LYS CB . 50337 1 20 . 1 . 1 3 3 LYS CG C 13 24.744 0.00 . . . . . . . 3 LYS CG . 50337 1 21 . 1 . 1 3 3 LYS CD C 13 29.125 0.00 . . . . . . . 3 LYS CD . 50337 1 22 . 1 . 1 3 3 LYS CE C 13 42.168 0.00 . . . . . . . 3 LYS CE . 50337 1 23 . 1 . 1 3 3 LYS N N 15 123.365 0.01 . . . . . . . 3 LYS N . 50337 1 24 . 1 . 1 4 4 MET H H 1 8.498 0.00 . . . . . . . 4 MET H . 50337 1 25 . 1 . 1 4 4 MET HA H 1 4.468 0.00 . . . . . . . 4 MET HA . 50337 1 26 . 1 . 1 4 4 MET HB2 H 1 2.107 0.00 . . . . . . . 4 MET HB2 . 50337 1 27 . 1 . 1 4 4 MET HB3 H 1 2.020 0.00 . . . . . . . 4 MET HB3 . 50337 1 28 . 1 . 1 4 4 MET HG2 H 1 2.622 0.00 . . . . . . . 4 MET HG2 . 50337 1 29 . 1 . 1 4 4 MET HG3 H 1 2.552 0.00 . . . . . . . 4 MET HG3 . 50337 1 30 . 1 . 1 4 4 MET HE1 H 1 2.102 0.00 . . . . . . . 4 MET HE . 50337 1 31 . 1 . 1 4 4 MET HE2 H 1 2.102 0.00 . . . . . . . 4 MET HE . 50337 1 32 . 1 . 1 4 4 MET HE3 H 1 2.102 0.00 . . . . . . . 4 MET HE . 50337 1 33 . 1 . 1 4 4 MET C C 13 176.328 0.00 . . . . . . . 4 MET C . 50337 1 34 . 1 . 1 4 4 MET CA C 13 55.832 0.00 . . . . . . . 4 MET CA . 50337 1 35 . 1 . 1 4 4 MET CB C 13 32.817 0.00 . . . . . . . 4 MET CB . 50337 1 36 . 1 . 1 4 4 MET CG C 13 32.094 0.00 . . . . . . . 4 MET CG . 50337 1 37 . 1 . 1 4 4 MET CE C 13 17.063 0.01 . . . . . . . 4 MET CE . 50337 1 38 . 1 . 1 4 4 MET N N 15 121.923 0.00 . . . . . . . 4 MET N . 50337 1 39 . 1 . 1 5 5 SER H H 1 8.238 0.00 . . . . . . . 5 SER H . 50337 1 40 . 1 . 1 5 5 SER HA H 1 4.414 0.00 . . . . . . . 5 SER HA . 50337 1 41 . 1 . 1 5 5 SER HB2 H 1 3.896 0.00 . . . . . . . 5 SER HB2 . 50337 1 42 . 1 . 1 5 5 SER HB3 H 1 3.829 0.00 . . . . . . . 5 SER HB3 . 50337 1 43 . 1 . 1 5 5 SER C C 13 174.161 0.00 . . . . . . . 5 SER C . 50337 1 44 . 1 . 1 5 5 SER CA C 13 58.533 0.00 . . . . . . . 5 SER CA . 50337 1 45 . 1 . 1 5 5 SER CB C 13 63.827 0.00 . . . . . . . 5 SER CB . 50337 1 46 . 1 . 1 5 5 SER N N 15 116.093 0.00 . . . . . . . 5 SER N . 50337 1 47 . 1 . 1 6 6 ASP H H 1 8.297 0.00 . . . . . . . 6 ASP H . 50337 1 48 . 1 . 1 6 6 ASP HA H 1 4.644 0.00 . . . . . . . 6 ASP HA . 50337 1 49 . 1 . 1 6 6 ASP HB2 H 1 2.719 0.00 . . . . . . . 6 ASP HB2 . 50337 1 50 . 1 . 1 6 6 ASP HB3 H 1 2.626 0.00 . . . . . . . 6 ASP HB3 . 50337 1 51 . 1 . 1 6 6 ASP C C 13 176.054 0.00 . . . . . . . 6 ASP C . 50337 1 52 . 1 . 1 6 6 ASP CA C 13 54.428 0.00 . . . . . . . 6 ASP CA . 50337 1 53 . 1 . 1 6 6 ASP CB C 13 41.274 0.00 . . . . . . . 6 ASP CB . 50337 1 54 . 1 . 1 6 6 ASP N N 15 122.555 0.00 . . . . . . . 6 ASP N . 50337 1 55 . 1 . 1 7 7 VAL H H 1 8.021 0.00 . . . . . . . 7 VAL H . 50337 1 56 . 1 . 1 7 7 VAL HA H 1 4.095 0.00 . . . . . . . 7 VAL HA . 50337 1 57 . 1 . 1 7 7 VAL HB H 1 2.119 0.00 . . . . . . . 7 VAL HB . 50337 1 58 . 1 . 1 7 7 VAL HG11 H 1 0.948 0.00 . . . . . . . 7 VAL HG1 . 50337 1 59 . 1 . 1 7 7 VAL HG12 H 1 0.948 0.00 . . . . . . . 7 VAL HG1 . 50337 1 60 . 1 . 1 7 7 VAL HG13 H 1 0.948 0.00 . . . . . . . 7 VAL HG1 . 50337 1 61 . 1 . 1 7 7 VAL HG21 H 1 0.970 0.00 . . . . . . . 7 VAL HG2 . 50337 1 62 . 1 . 1 7 7 VAL HG22 H 1 0.970 0.00 . . . . . . . 7 VAL HG2 . 50337 1 63 . 1 . 1 7 7 VAL HG23 H 1 0.970 0.00 . . . . . . . 7 VAL HG2 . 50337 1 64 . 1 . 1 7 7 VAL C C 13 175.802 0.00 . . . . . . . 7 VAL C . 50337 1 65 . 1 . 1 7 7 VAL CA C 13 62.491 0.00 . . . . . . . 7 VAL CA . 50337 1 66 . 1 . 1 7 7 VAL CB C 13 32.600 0.00 . . . . . . . 7 VAL CB . 50337 1 67 . 1 . 1 7 7 VAL CG1 C 13 21.444 0.00 . . . . . . . 7 VAL CG1 . 50337 1 68 . 1 . 1 7 7 VAL CG2 C 13 20.779 0.00 . . . . . . . 7 VAL CG2 . 50337 1 69 . 1 . 1 7 7 VAL N N 15 120.304 0.00 . . . . . . . 7 VAL N . 50337 1 70 . 1 . 1 8 8 LYS H H 1 8.412 0.00 . . . . . . . 8 LYS H . 50337 1 71 . 1 . 1 8 8 LYS HA H 1 4.426 0.00 . . . . . . . 8 LYS HA . 50337 1 72 . 1 . 1 8 8 LYS HB2 H 1 1.799 0.00 . . . . . . . 8 LYS HB . 50337 1 73 . 1 . 1 8 8 LYS HB3 H 1 1.799 0.00 . . . . . . . 8 LYS HB . 50337 1 74 . 1 . 1 8 8 LYS HG2 H 1 1.429 0.00 . . . . . . . 8 LYS HG . 50337 1 75 . 1 . 1 8 8 LYS HG3 H 1 1.429 0.00 . . . . . . . 8 LYS HG . 50337 1 76 . 1 . 1 8 8 LYS HD2 H 1 1.679 0.00 . . . . . . . 8 LYS HD . 50337 1 77 . 1 . 1 8 8 LYS HD3 H 1 1.679 0.00 . . . . . . . 8 LYS HD . 50337 1 78 . 1 . 1 8 8 LYS HE2 H 1 2.990 0.00 . . . . . . . 8 LYS HE . 50337 1 79 . 1 . 1 8 8 LYS HE3 H 1 2.990 0.00 . . . . . . . 8 LYS HE . 50337 1 80 . 1 . 1 8 8 LYS C C 13 175.834 0.00 . . . . . . . 8 LYS C . 50337 1 81 . 1 . 1 8 8 LYS CA C 13 55.905 0.00 . . . . . . . 8 LYS CA . 50337 1 82 . 1 . 1 8 8 LYS CB C 13 33.314 0.00 . . . . . . . 8 LYS CB . 50337 1 83 . 1 . 1 8 8 LYS CG C 13 24.748 0.00 . . . . . . . 8 LYS CG . 50337 1 84 . 1 . 1 8 8 LYS CD C 13 29.023 0.00 . . . . . . . 8 LYS CD . 50337 1 85 . 1 . 1 8 8 LYS CE C 13 42.169 0.00 . . . . . . . 8 LYS CE . 50337 1 86 . 1 . 1 8 8 LYS N N 15 125.097 0.00 . . . . . . . 8 LYS N . 50337 1 87 . 1 . 1 9 9 CYS H H 1 8.549 0.00 . . . . . . . 9 CYS H . 50337 1 88 . 1 . 1 9 9 CYS HA H 1 4.582 0.00 . . . . . . . 9 CYS HA . 50337 1 89 . 1 . 1 9 9 CYS HB2 H 1 2.907 0.00 . . . . . . . 9 CYS HB2 . 50337 1 90 . 1 . 1 9 9 CYS HB3 H 1 2.794 0.00 . . . . . . . 9 CYS HB3 . 50337 1 91 . 1 . 1 9 9 CYS C C 13 174.886 0.00 . . . . . . . 9 CYS C . 50337 1 92 . 1 . 1 9 9 CYS CA C 13 58.360 0.00 . . . . . . . 9 CYS CA . 50337 1 93 . 1 . 1 9 9 CYS CB C 13 28.252 0.00 . . . . . . . 9 CYS CB . 50337 1 94 . 1 . 1 9 9 CYS N N 15 121.394 0.00 . . . . . . . 9 CYS N . 50337 1 95 . 1 . 1 10 10 THR H H 1 8.663 0.00 . . . . . . . 10 THR H . 50337 1 96 . 1 . 1 10 10 THR HA H 1 4.268 0.00 . . . . . . . 10 THR HA . 50337 1 97 . 1 . 1 10 10 THR HB H 1 4.294 0.00 . . . . . . . 10 THR HB . 50337 1 98 . 1 . 1 10 10 THR HG21 H 1 1.172 0.00 . . . . . . . 10 THR HG2 . 50337 1 99 . 1 . 1 10 10 THR HG22 H 1 1.172 0.00 . . . . . . . 10 THR HG2 . 50337 1 100 . 1 . 1 10 10 THR HG23 H 1 1.172 0.00 . . . . . . . 10 THR HG2 . 50337 1 101 . 1 . 1 10 10 THR C C 13 174.247 0.00 . . . . . . . 10 THR C . 50337 1 102 . 1 . 1 10 10 THR CA C 13 62.604 0.00 . . . . . . . 10 THR CA . 50337 1 103 . 1 . 1 10 10 THR CB C 13 69.131 0.00 . . . . . . . 10 THR CB . 50337 1 104 . 1 . 1 10 10 THR CG2 C 13 21.839 0.00 . . . . . . . 10 THR CG2 . 50337 1 105 . 1 . 1 10 10 THR N N 15 118.849 0.00 . . . . . . . 10 THR N . 50337 1 106 . 1 . 1 11 11 SER H H 1 7.751 0.00 . . . . . . . 11 SER H . 50337 1 107 . 1 . 1 11 11 SER HA H 1 4.639 0.00 . . . . . . . 11 SER HA . 50337 1 108 . 1 . 1 11 11 SER HB2 H 1 3.956 0.00 . . . . . . . 11 SER HB2 . 50337 1 109 . 1 . 1 11 11 SER HB3 H 1 3.322 0.00 . . . . . . . 11 SER HB3 . 50337 1 110 . 1 . 1 11 11 SER C C 13 175.418 0.00 . . . . . . . 11 SER C . 50337 1 111 . 1 . 1 11 11 SER CA C 13 57.015 0.00 . . . . . . . 11 SER CA . 50337 1 112 . 1 . 1 11 11 SER CB C 13 63.044 0.00 . . . . . . . 11 SER CB . 50337 1 113 . 1 . 1 11 11 SER N N 15 117.574 0.00 . . . . . . . 11 SER N . 50337 1 114 . 1 . 1 12 12 VAL H H 1 8.516 0.00 . . . . . . . 12 VAL H . 50337 1 115 . 1 . 1 12 12 VAL HA H 1 3.844 0.00 . . . . . . . 12 VAL HA . 50337 1 116 . 1 . 1 12 12 VAL HB H 1 2.160 0.00 . . . . . . . 12 VAL HB . 50337 1 117 . 1 . 1 12 12 VAL HG11 H 1 1.052 0.00 . . . . . . . 12 VAL HG1 . 50337 1 118 . 1 . 1 12 12 VAL HG12 H 1 1.052 0.00 . . . . . . . 12 VAL HG1 . 50337 1 119 . 1 . 1 12 12 VAL HG13 H 1 1.052 0.00 . . . . . . . 12 VAL HG1 . 50337 1 120 . 1 . 1 12 12 VAL HG21 H 1 1.008 0.00 . . . . . . . 12 VAL HG2 . 50337 1 121 . 1 . 1 12 12 VAL HG22 H 1 1.008 0.00 . . . . . . . 12 VAL HG2 . 50337 1 122 . 1 . 1 12 12 VAL HG23 H 1 1.008 0.00 . . . . . . . 12 VAL HG2 . 50337 1 123 . 1 . 1 12 12 VAL C C 13 178.434 0.00 . . . . . . . 12 VAL C . 50337 1 124 . 1 . 1 12 12 VAL CA C 13 65.104 0.00 . . . . . . . 12 VAL CA . 50337 1 125 . 1 . 1 12 12 VAL CB C 13 31.674 0.00 . . . . . . . 12 VAL CB . 50337 1 126 . 1 . 1 12 12 VAL CG1 C 13 21.042 0.00 . . . . . . . 12 VAL CG1 . 50337 1 127 . 1 . 1 12 12 VAL CG2 C 13 21.275 0.00 . . . . . . . 12 VAL CG2 . 50337 1 128 . 1 . 1 12 12 VAL N N 15 127.169 0.00 . . . . . . . 12 VAL N . 50337 1 129 . 1 . 1 13 13 VAL H H 1 8.141 0.00 . . . . . . . 13 VAL H . 50337 1 130 . 1 . 1 13 13 VAL HA H 1 3.852 0.00 . . . . . . . 13 VAL HA . 50337 1 131 . 1 . 1 13 13 VAL HB H 1 1.902 0.00 . . . . . . . 13 VAL HB . 50337 1 132 . 1 . 1 13 13 VAL HG11 H 1 0.960 0.00 . . . . . . . 13 VAL HG1 . 50337 1 133 . 1 . 1 13 13 VAL HG12 H 1 0.960 0.00 . . . . . . . 13 VAL HG1 . 50337 1 134 . 1 . 1 13 13 VAL HG13 H 1 0.960 0.00 . . . . . . . 13 VAL HG1 . 50337 1 135 . 1 . 1 13 13 VAL HG21 H 1 0.813 0.00 . . . . . . . 13 VAL HG2 . 50337 1 136 . 1 . 1 13 13 VAL HG22 H 1 0.813 0.00 . . . . . . . 13 VAL HG2 . 50337 1 137 . 1 . 1 13 13 VAL HG23 H 1 0.813 0.00 . . . . . . . 13 VAL HG2 . 50337 1 138 . 1 . 1 13 13 VAL C C 13 177.854 0.00 . . . . . . . 13 VAL C . 50337 1 139 . 1 . 1 13 13 VAL CA C 13 65.467 0.00 . . . . . . . 13 VAL CA . 50337 1 140 . 1 . 1 13 13 VAL CB C 13 31.277 0.00 . . . . . . . 13 VAL CB . 50337 1 141 . 1 . 1 13 13 VAL CG1 C 13 22.821 0.00 . . . . . . . 13 VAL CG1 . 50337 1 142 . 1 . 1 13 13 VAL CG2 C 13 22.212 0.00 . . . . . . . 13 VAL CG2 . 50337 1 143 . 1 . 1 13 13 VAL N N 15 122.605 0.00 . . . . . . . 13 VAL N . 50337 1 144 . 1 . 1 14 14 LEU H H 1 8.019 0.00 . . . . . . . 14 LEU H . 50337 1 145 . 1 . 1 14 14 LEU HA H 1 3.741 0.00 . . . . . . . 14 LEU HA . 50337 1 146 . 1 . 1 14 14 LEU HB2 H 1 1.514 0.00 . . . . . . . 14 LEU HB2 . 50337 1 147 . 1 . 1 14 14 LEU HB3 H 1 0.823 0.00 . . . . . . . 14 LEU HB3 . 50337 1 148 . 1 . 1 14 14 LEU HG H 1 1.166 0.00 . . . . . . . 14 LEU HG . 50337 1 149 . 1 . 1 14 14 LEU HD11 H 1 0.449 0.00 . . . . . . . 14 LEU HD1 . 50337 1 150 . 1 . 1 14 14 LEU HD12 H 1 0.449 0.00 . . . . . . . 14 LEU HD1 . 50337 1 151 . 1 . 1 14 14 LEU HD13 H 1 0.449 0.00 . . . . . . . 14 LEU HD1 . 50337 1 152 . 1 . 1 14 14 LEU HD21 H 1 0.600 0.00 . . . . . . . 14 LEU HD2 . 50337 1 153 . 1 . 1 14 14 LEU HD22 H 1 0.600 0.00 . . . . . . . 14 LEU HD2 . 50337 1 154 . 1 . 1 14 14 LEU HD23 H 1 0.600 0.00 . . . . . . . 14 LEU HD2 . 50337 1 155 . 1 . 1 14 14 LEU C C 13 177.726 0.00 . . . . . . . 14 LEU C . 50337 1 156 . 1 . 1 14 14 LEU CA C 13 58.195 0.00 . . . . . . . 14 LEU CA . 50337 1 157 . 1 . 1 14 14 LEU CB C 13 40.276 0.00 . . . . . . . 14 LEU CB . 50337 1 158 . 1 . 1 14 14 LEU CG C 13 26.632 0.00 . . . . . . . 14 LEU CG . 50337 1 159 . 1 . 1 14 14 LEU CD1 C 13 26.150 0.00 . . . . . . . 14 LEU CD1 . 50337 1 160 . 1 . 1 14 14 LEU CD2 C 13 22.555 0.00 . . . . . . . 14 LEU CD2 . 50337 1 161 . 1 . 1 14 14 LEU N N 15 121.923 0.00 . . . . . . . 14 LEU N . 50337 1 162 . 1 . 1 15 15 LEU H H 1 7.556 0.00 . . . . . . . 15 LEU H . 50337 1 163 . 1 . 1 15 15 LEU HA H 1 3.782 0.00 . . . . . . . 15 LEU HA . 50337 1 164 . 1 . 1 15 15 LEU HB2 H 1 1.855 0.00 . . . . . . . 15 LEU HB2 . 50337 1 165 . 1 . 1 15 15 LEU HB3 H 1 1.654 0.00 . . . . . . . 15 LEU HB3 . 50337 1 166 . 1 . 1 15 15 LEU HG H 1 1.848 0.00 . . . . . . . 15 LEU HG . 50337 1 167 . 1 . 1 15 15 LEU HD11 H 1 1.007 0.00 . . . . . . . 15 LEU HD1 . 50337 1 168 . 1 . 1 15 15 LEU HD12 H 1 1.007 0.00 . . . . . . . 15 LEU HD1 . 50337 1 169 . 1 . 1 15 15 LEU HD13 H 1 1.007 0.00 . . . . . . . 15 LEU HD1 . 50337 1 170 . 1 . 1 15 15 LEU HD21 H 1 0.933 0.00 . . . . . . . 15 LEU HD2 . 50337 1 171 . 1 . 1 15 15 LEU HD22 H 1 0.933 0.00 . . . . . . . 15 LEU HD2 . 50337 1 172 . 1 . 1 15 15 LEU HD23 H 1 0.933 0.00 . . . . . . . 15 LEU HD2 . 50337 1 173 . 1 . 1 15 15 LEU C C 13 179.552 0.00 . . . . . . . 15 LEU C . 50337 1 174 . 1 . 1 15 15 LEU CA C 13 58.405 0.00 . . . . . . . 15 LEU CA . 50337 1 175 . 1 . 1 15 15 LEU CB C 13 40.975 0.01 . . . . . . . 15 LEU CB . 50337 1 176 . 1 . 1 15 15 LEU CG C 13 26.992 0.00 . . . . . . . 15 LEU CG . 50337 1 177 . 1 . 1 15 15 LEU CD1 C 13 25.197 0.00 . . . . . . . 15 LEU CD1 . 50337 1 178 . 1 . 1 15 15 LEU CD2 C 13 23.724 0.00 . . . . . . . 15 LEU CD2 . 50337 1 179 . 1 . 1 15 15 LEU N N 15 116.275 0.00 . . . . . . . 15 LEU N . 50337 1 180 . 1 . 1 16 16 SER H H 1 7.857 0.00 . . . . . . . 16 SER H . 50337 1 181 . 1 . 1 16 16 SER HA H 1 4.277 0.00 . . . . . . . 16 SER HA . 50337 1 182 . 1 . 1 16 16 SER HB2 H 1 4.071 0.00 . . . . . . . 16 SER HB . 50337 1 183 . 1 . 1 16 16 SER HB3 H 1 4.071 0.00 . . . . . . . 16 SER HB . 50337 1 184 . 1 . 1 16 16 SER C C 13 176.374 0.00 . . . . . . . 16 SER C . 50337 1 185 . 1 . 1 16 16 SER CA C 13 61.765 0.00 . . . . . . . 16 SER CA . 50337 1 186 . 1 . 1 16 16 SER CB C 13 62.698 0.00 . . . . . . . 16 SER CB . 50337 1 187 . 1 . 1 16 16 SER N N 15 114.890 0.00 . . . . . . . 16 SER N . 50337 1 188 . 1 . 1 17 17 VAL H H 1 8.122 0.00 . . . . . . . 17 VAL H . 50337 1 189 . 1 . 1 17 17 VAL HA H 1 3.649 0.00 . . . . . . . 17 VAL HA . 50337 1 190 . 1 . 1 17 17 VAL HB H 1 2.174 0.00 . . . . . . . 17 VAL HB . 50337 1 191 . 1 . 1 17 17 VAL HG11 H 1 0.851 0.00 . . . . . . . 17 VAL HG1 . 50337 1 192 . 1 . 1 17 17 VAL HG12 H 1 0.851 0.00 . . . . . . . 17 VAL HG1 . 50337 1 193 . 1 . 1 17 17 VAL HG13 H 1 0.851 0.00 . . . . . . . 17 VAL HG1 . 50337 1 194 . 1 . 1 17 17 VAL HG21 H 1 0.721 0.00 . . . . . . . 17 VAL HG2 . 50337 1 195 . 1 . 1 17 17 VAL HG22 H 1 0.721 0.00 . . . . . . . 17 VAL HG2 . 50337 1 196 . 1 . 1 17 17 VAL HG23 H 1 0.721 0.00 . . . . . . . 17 VAL HG2 . 50337 1 197 . 1 . 1 17 17 VAL C C 13 177.464 0.00 . . . . . . . 17 VAL C . 50337 1 198 . 1 . 1 17 17 VAL CA C 13 66.610 0.00 . . . . . . . 17 VAL CA . 50337 1 199 . 1 . 1 17 17 VAL CB C 13 31.653 0.00 . . . . . . . 17 VAL CB . 50337 1 200 . 1 . 1 17 17 VAL CG1 C 13 24.022 0.00 . . . . . . . 17 VAL CG1 . 50337 1 201 . 1 . 1 17 17 VAL CG2 C 13 21.278 0.00 . . . . . . . 17 VAL CG2 . 50337 1 202 . 1 . 1 17 17 VAL N N 15 122.603 0.00 . . . . . . . 17 VAL N . 50337 1 203 . 1 . 1 18 18 LEU H H 1 8.343 0.00 . . . . . . . 18 LEU H . 50337 1 204 . 1 . 1 18 18 LEU HA H 1 3.832 0.00 . . . . . . . 18 LEU HA . 50337 1 205 . 1 . 1 18 18 LEU HB2 H 1 1.746 0.00 . . . . . . . 18 LEU HB2 . 50337 1 206 . 1 . 1 18 18 LEU HB3 H 1 1.264 0.00 . . . . . . . 18 LEU HB3 . 50337 1 207 . 1 . 1 18 18 LEU HG H 1 1.607 0.00 . . . . . . . 18 LEU HG . 50337 1 208 . 1 . 1 18 18 LEU HD11 H 1 -0.095 0.00 . . . . . . . 18 LEU HD1 . 50337 1 209 . 1 . 1 18 18 LEU HD12 H 1 -0.095 0.00 . . . . . . . 18 LEU HD1 . 50337 1 210 . 1 . 1 18 18 LEU HD13 H 1 -0.095 0.00 . . . . . . . 18 LEU HD1 . 50337 1 211 . 1 . 1 18 18 LEU HD21 H 1 0.596 0.00 . . . . . . . 18 LEU HD2 . 50337 1 212 . 1 . 1 18 18 LEU HD22 H 1 0.596 0.00 . . . . . . . 18 LEU HD2 . 50337 1 213 . 1 . 1 18 18 LEU HD23 H 1 0.596 0.00 . . . . . . . 18 LEU HD2 . 50337 1 214 . 1 . 1 18 18 LEU C C 13 179.018 0.00 . . . . . . . 18 LEU C . 50337 1 215 . 1 . 1 18 18 LEU CA C 13 58.425 0.00 . . . . . . . 18 LEU CA . 50337 1 216 . 1 . 1 18 18 LEU CB C 13 40.555 0.01 . . . . . . . 18 LEU CB . 50337 1 217 . 1 . 1 18 18 LEU CG C 13 26.213 0.00 . . . . . . . 18 LEU CG . 50337 1 218 . 1 . 1 18 18 LEU CD1 C 13 24.627 0.00 . . . . . . . 18 LEU CD1 . 50337 1 219 . 1 . 1 18 18 LEU CD2 C 13 23.019 0.00 . . . . . . . 18 LEU CD2 . 50337 1 220 . 1 . 1 18 18 LEU N N 15 117.538 0.00 . . . . . . . 18 LEU N . 50337 1 221 . 1 . 1 19 19 GLN H H 1 8.076 0.00 . . . . . . . 19 GLN H . 50337 1 222 . 1 . 1 19 19 GLN HA H 1 4.315 0.00 . . . . . . . 19 GLN HA . 50337 1 223 . 1 . 1 19 19 GLN HB2 H 1 2.390 0.00 . . . . . . . 19 GLN HB2 . 50337 1 224 . 1 . 1 19 19 GLN HB3 H 1 2.276 0.00 . . . . . . . 19 GLN HB3 . 50337 1 225 . 1 . 1 19 19 GLN HG2 H 1 2.739 0.00 . . . . . . . 19 GLN HG2 . 50337 1 226 . 1 . 1 19 19 GLN HG3 H 1 2.521 0.00 . . . . . . . 19 GLN HG3 . 50337 1 227 . 1 . 1 19 19 GLN HE21 H 1 7.419 0.00 . . . . . . . 19 GLN HE21 . 50337 1 228 . 1 . 1 19 19 GLN HE22 H 1 6.894 0.00 . . . . . . . 19 GLN HE22 . 50337 1 229 . 1 . 1 19 19 GLN C C 13 181.427 0.00 . . . . . . . 19 GLN C . 50337 1 230 . 1 . 1 19 19 GLN CA C 13 59.314 0.00 . . . . . . . 19 GLN CA . 50337 1 231 . 1 . 1 19 19 GLN CB C 13 28.569 0.00 . . . . . . . 19 GLN CB . 50337 1 232 . 1 . 1 19 19 GLN CG C 13 34.404 0.00 . . . . . . . 19 GLN CG . 50337 1 233 . 1 . 1 19 19 GLN N N 15 118.028 0.00 . . . . . . . 19 GLN N . 50337 1 234 . 1 . 1 19 19 GLN NE2 N 15 110.951 0.00 . . . . . . . 19 GLN NE2 . 50337 1 235 . 1 . 1 20 20 GLN H H 1 8.879 0.00 . . . . . . . 20 GLN H . 50337 1 236 . 1 . 1 20 20 GLN HA H 1 4.026 0.00 . . . . . . . 20 GLN HA . 50337 1 237 . 1 . 1 20 20 GLN HB2 H 1 2.495 0.00 . . . . . . . 20 GLN HB2 . 50337 1 238 . 1 . 1 20 20 GLN HB3 H 1 2.246 0.00 . . . . . . . 20 GLN HB3 . 50337 1 239 . 1 . 1 20 20 GLN HG2 H 1 2.761 0.00 . . . . . . . 20 GLN HG2 . 50337 1 240 . 1 . 1 20 20 GLN HG3 H 1 2.607 0.00 . . . . . . . 20 GLN HG3 . 50337 1 241 . 1 . 1 20 20 GLN HE21 H 1 6.965 0.00 . . . . . . . 20 GLN HE21 . 50337 1 242 . 1 . 1 20 20 GLN HE22 H 1 6.750 0.00 . . . . . . . 20 GLN HE22 . 50337 1 243 . 1 . 1 20 20 GLN C C 13 178.322 0.00 . . . . . . . 20 GLN C . 50337 1 244 . 1 . 1 20 20 GLN CA C 13 59.200 0.00 . . . . . . . 20 GLN CA . 50337 1 245 . 1 . 1 20 20 GLN CB C 13 27.320 0.00 . . . . . . . 20 GLN CB . 50337 1 246 . 1 . 1 20 20 GLN CG C 13 34.633 0.01 . . . . . . . 20 GLN CG . 50337 1 247 . 1 . 1 20 20 GLN N N 15 123.447 0.00 . . . . . . . 20 GLN N . 50337 1 248 . 1 . 1 20 20 GLN NE2 N 15 107.823 0.00 . . . . . . . 20 GLN NE2 . 50337 1 249 . 1 . 1 21 21 LEU H H 1 7.627 0.00 . . . . . . . 21 LEU H . 50337 1 250 . 1 . 1 21 21 LEU HA H 1 4.354 0.00 . . . . . . . 21 LEU HA . 50337 1 251 . 1 . 1 21 21 LEU HB2 H 1 1.781 0.00 . . . . . . . 21 LEU HB2 . 50337 1 252 . 1 . 1 21 21 LEU HB3 H 1 1.717 0.00 . . . . . . . 21 LEU HB3 . 50337 1 253 . 1 . 1 21 21 LEU HG H 1 1.750 0.00 . . . . . . . 21 LEU HG . 50337 1 254 . 1 . 1 21 21 LEU HD11 H 1 0.812 0.00 . . . . . . . 21 LEU HD1 . 50337 1 255 . 1 . 1 21 21 LEU HD12 H 1 0.812 0.00 . . . . . . . 21 LEU HD1 . 50337 1 256 . 1 . 1 21 21 LEU HD13 H 1 0.812 0.00 . . . . . . . 21 LEU HD1 . 50337 1 257 . 1 . 1 21 21 LEU HD21 H 1 0.749 0.00 . . . . . . . 21 LEU HD2 . 50337 1 258 . 1 . 1 21 21 LEU HD22 H 1 0.749 0.00 . . . . . . . 21 LEU HD2 . 50337 1 259 . 1 . 1 21 21 LEU HD23 H 1 0.749 0.00 . . . . . . . 21 LEU HD2 . 50337 1 260 . 1 . 1 21 21 LEU C C 13 174.749 0.00 . . . . . . . 21 LEU C . 50337 1 261 . 1 . 1 21 21 LEU CA C 13 54.295 0.00 . . . . . . . 21 LEU CA . 50337 1 262 . 1 . 1 21 21 LEU CB C 13 41.925 0.00 . . . . . . . 21 LEU CB . 50337 1 263 . 1 . 1 21 21 LEU CG C 13 26.803 0.00 . . . . . . . 21 LEU CG . 50337 1 264 . 1 . 1 21 21 LEU CD1 C 13 28.279 0.00 . . . . . . . 21 LEU CD1 . 50337 1 265 . 1 . 1 21 21 LEU CD2 C 13 22.086 0.00 . . . . . . . 21 LEU CD2 . 50337 1 266 . 1 . 1 21 21 LEU N N 15 116.877 0.00 . . . . . . . 21 LEU N . 50337 1 267 . 1 . 1 22 22 ARG H H 1 7.976 0.00 . . . . . . . 22 ARG H . 50337 1 268 . 1 . 1 22 22 ARG HA H 1 3.898 0.00 . . . . . . . 22 ARG HA . 50337 1 269 . 1 . 1 22 22 ARG HB2 H 1 2.199 0.00 . . . . . . . 22 ARG HB2 . 50337 1 270 . 1 . 1 22 22 ARG HB3 H 1 2.019 0.00 . . . . . . . 22 ARG HB3 . 50337 1 271 . 1 . 1 22 22 ARG HG2 H 1 1.627 0.00 . . . . . . . 22 ARG HG . 50337 1 272 . 1 . 1 22 22 ARG HG3 H 1 1.627 0.00 . . . . . . . 22 ARG HG . 50337 1 273 . 1 . 1 22 22 ARG HD2 H 1 3.344 0.00 . . . . . . . 22 ARG HD2 . 50337 1 274 . 1 . 1 22 22 ARG HD3 H 1 3.273 0.00 . . . . . . . 22 ARG HD3 . 50337 1 275 . 1 . 1 22 22 ARG HE H 1 7.252 0.00 . . . . . . . 22 ARG HE . 50337 1 276 . 1 . 1 22 22 ARG C C 13 175.665 0.00 . . . . . . . 22 ARG C . 50337 1 277 . 1 . 1 22 22 ARG CA C 13 56.982 0.00 . . . . . . . 22 ARG CA . 50337 1 278 . 1 . 1 22 22 ARG CB C 13 26.065 0.00 . . . . . . . 22 ARG CB . 50337 1 279 . 1 . 1 22 22 ARG CG C 13 27.558 0.00 . . . . . . . 22 ARG CG . 50337 1 280 . 1 . 1 22 22 ARG CD C 13 43.472 0.00 . . . . . . . 22 ARG CD . 50337 1 281 . 1 . 1 22 22 ARG N N 15 114.421 0.00 . . . . . . . 22 ARG N . 50337 1 282 . 1 . 1 22 22 ARG NE N 15 85.242 0.00 . . . . . . . 22 ARG NE . 50337 1 283 . 1 . 1 23 23 VAL H H 1 8.332 0.00 . . . . . . . 23 VAL H . 50337 1 284 . 1 . 1 23 23 VAL HA H 1 3.983 0.00 . . . . . . . 23 VAL HA . 50337 1 285 . 1 . 1 23 23 VAL HB H 1 2.135 0.00 . . . . . . . 23 VAL HB . 50337 1 286 . 1 . 1 23 23 VAL HG11 H 1 1.061 0.00 . . . . . . . 23 VAL HG1 . 50337 1 287 . 1 . 1 23 23 VAL HG12 H 1 1.061 0.00 . . . . . . . 23 VAL HG1 . 50337 1 288 . 1 . 1 23 23 VAL HG13 H 1 1.061 0.00 . . . . . . . 23 VAL HG1 . 50337 1 289 . 1 . 1 23 23 VAL HG21 H 1 0.938 0.00 . . . . . . . 23 VAL HG2 . 50337 1 290 . 1 . 1 23 23 VAL HG22 H 1 0.938 0.00 . . . . . . . 23 VAL HG2 . 50337 1 291 . 1 . 1 23 23 VAL HG23 H 1 0.938 0.00 . . . . . . . 23 VAL HG2 . 50337 1 292 . 1 . 1 23 23 VAL C C 13 175.985 0.00 . . . . . . . 23 VAL C . 50337 1 293 . 1 . 1 23 23 VAL CA C 13 62.672 0.00 . . . . . . . 23 VAL CA . 50337 1 294 . 1 . 1 23 23 VAL CB C 13 31.310 0.00 . . . . . . . 23 VAL CB . 50337 1 295 . 1 . 1 23 23 VAL CG1 C 13 21.785 0.00 . . . . . . . 23 VAL CG1 . 50337 1 296 . 1 . 1 23 23 VAL CG2 C 13 21.696 0.00 . . . . . . . 23 VAL CG2 . 50337 1 297 . 1 . 1 23 23 VAL N N 15 120.908 0.00 . . . . . . . 23 VAL N . 50337 1 298 . 1 . 1 24 24 GLU H H 1 8.843 0.00 . . . . . . . 24 GLU H . 50337 1 299 . 1 . 1 24 24 GLU HA H 1 4.266 0.00 . . . . . . . 24 GLU HA . 50337 1 300 . 1 . 1 24 24 GLU HB2 H 1 2.076 0.00 . . . . . . . 24 GLU HB2 . 50337 1 301 . 1 . 1 24 24 GLU HB3 H 1 2.017 0.00 . . . . . . . 24 GLU HB3 . 50337 1 302 . 1 . 1 24 24 GLU HG2 H 1 2.412 0.00 . . . . . . . 24 GLU HG2 . 50337 1 303 . 1 . 1 24 24 GLU HG3 H 1 2.337 0.00 . . . . . . . 24 GLU HG3 . 50337 1 304 . 1 . 1 24 24 GLU C C 13 179.232 0.00 . . . . . . . 24 GLU C . 50337 1 305 . 1 . 1 24 24 GLU CA C 13 56.668 0.00 . . . . . . . 24 GLU CA . 50337 1 306 . 1 . 1 24 24 GLU CB C 13 30.404 0.00 . . . . . . . 24 GLU CB . 50337 1 307 . 1 . 1 24 24 GLU CG C 13 36.371 0.00 . . . . . . . 24 GLU CG . 50337 1 308 . 1 . 1 24 24 GLU N N 15 127.984 0.00 . . . . . . . 24 GLU N . 50337 1 309 . 1 . 1 25 25 SER H H 1 8.782 0.00 . . . . . . . 25 SER H . 50337 1 310 . 1 . 1 25 25 SER HA H 1 2.726 0.00 . . . . . . . 25 SER HA . 50337 1 311 . 1 . 1 25 25 SER HB2 H 1 2.819 0.00 . . . . . . . 25 SER HB . 50337 1 312 . 1 . 1 25 25 SER HB3 H 1 2.819 0.00 . . . . . . . 25 SER HB . 50337 1 313 . 1 . 1 25 25 SER C C 13 174.151 0.00 . . . . . . . 25 SER C . 50337 1 314 . 1 . 1 25 25 SER CA C 13 60.411 0.00 . . . . . . . 25 SER CA . 50337 1 315 . 1 . 1 25 25 SER CB C 13 61.608 0.00 . . . . . . . 25 SER CB . 50337 1 316 . 1 . 1 25 25 SER N N 15 122.262 0.00 . . . . . . . 25 SER N . 50337 1 317 . 1 . 1 26 26 SER H H 1 7.275 0.00 . . . . . . . 26 SER H . 50337 1 318 . 1 . 1 26 26 SER HA H 1 4.280 0.00 . . . . . . . 26 SER HA . 50337 1 319 . 1 . 1 26 26 SER HB2 H 1 4.020 0.00 . . . . . . . 26 SER HB2 . 50337 1 320 . 1 . 1 26 26 SER HB3 H 1 3.774 0.00 . . . . . . . 26 SER HB3 . 50337 1 321 . 1 . 1 26 26 SER C C 13 174.525 0.00 . . . . . . . 26 SER C . 50337 1 322 . 1 . 1 26 26 SER CA C 13 58.172 0.00 . . . . . . . 26 SER CA . 50337 1 323 . 1 . 1 26 26 SER CB C 13 63.192 0.00 . . . . . . . 26 SER CB . 50337 1 324 . 1 . 1 26 26 SER N N 15 113.644 0.00 . . . . . . . 26 SER N . 50337 1 325 . 1 . 1 27 27 SER H H 1 7.865 0.00 . . . . . . . 27 SER H . 50337 1 326 . 1 . 1 27 27 SER HA H 1 4.558 0.00 . . . . . . . 27 SER HA . 50337 1 327 . 1 . 1 27 27 SER HB2 H 1 4.471 0.00 . . . . . . . 27 SER HB2 . 50337 1 328 . 1 . 1 27 27 SER HB3 H 1 4.141 0.00 . . . . . . . 27 SER HB3 . 50337 1 329 . 1 . 1 27 27 SER C C 13 175.896 0.00 . . . . . . . 27 SER C . 50337 1 330 . 1 . 1 27 27 SER CA C 13 58.357 0.00 . . . . . . . 27 SER CA . 50337 1 331 . 1 . 1 27 27 SER CB C 13 66.523 0.00 . . . . . . . 27 SER CB . 50337 1 332 . 1 . 1 27 27 SER N N 15 117.489 0.00 . . . . . . . 27 SER N . 50337 1 333 . 1 . 1 28 28 LYS H H 1 9.056 0.00 . . . . . . . 28 LYS H . 50337 1 334 . 1 . 1 28 28 LYS HA H 1 4.232 0.00 . . . . . . . 28 LYS HA . 50337 1 335 . 1 . 1 28 28 LYS HB2 H 1 1.928 0.00 . . . . . . . 28 LYS HB . 50337 1 336 . 1 . 1 28 28 LYS HB3 H 1 1.928 0.00 . . . . . . . 28 LYS HB . 50337 1 337 . 1 . 1 28 28 LYS HG2 H 1 1.655 0.00 . . . . . . . 28 LYS HG2 . 50337 1 338 . 1 . 1 28 28 LYS HG3 H 1 1.546 0.00 . . . . . . . 28 LYS HG3 . 50337 1 339 . 1 . 1 28 28 LYS HD2 H 1 1.757 0.00 . . . . . . . 28 LYS HD . 50337 1 340 . 1 . 1 28 28 LYS HD3 H 1 1.757 0.00 . . . . . . . 28 LYS HD . 50337 1 341 . 1 . 1 28 28 LYS HE2 H 1 3.043 0.00 . . . . . . . 28 LYS HE . 50337 1 342 . 1 . 1 28 28 LYS HE3 H 1 3.043 0.00 . . . . . . . 28 LYS HE . 50337 1 343 . 1 . 1 28 28 LYS C C 13 179.187 0.00 . . . . . . . 28 LYS C . 50337 1 344 . 1 . 1 28 28 LYS CA C 13 59.360 0.00 . . . . . . . 28 LYS CA . 50337 1 345 . 1 . 1 28 28 LYS CB C 13 32.031 0.00 . . . . . . . 28 LYS CB . 50337 1 346 . 1 . 1 28 28 LYS CG C 13 25.221 0.00 . . . . . . . 28 LYS CG . 50337 1 347 . 1 . 1 28 28 LYS CD C 13 29.175 0.00 . . . . . . . 28 LYS CD . 50337 1 348 . 1 . 1 28 28 LYS CE C 13 42.127 0.00 . . . . . . . 28 LYS CE . 50337 1 349 . 1 . 1 28 28 LYS N N 15 124.441 0.01 . . . . . . . 28 LYS N . 50337 1 350 . 1 . 1 29 29 LEU H H 1 8.269 0.00 . . . . . . . 29 LEU H . 50337 1 351 . 1 . 1 29 29 LEU HA H 1 4.299 0.00 . . . . . . . 29 LEU HA . 50337 1 352 . 1 . 1 29 29 LEU HB2 H 1 1.739 0.00 . . . . . . . 29 LEU HB . 50337 1 353 . 1 . 1 29 29 LEU HB3 H 1 1.739 0.00 . . . . . . . 29 LEU HB . 50337 1 354 . 1 . 1 29 29 LEU HG H 1 1.562 0.00 . . . . . . . 29 LEU HG . 50337 1 355 . 1 . 1 29 29 LEU HD11 H 1 0.996 0.00 . . . . . . . 29 LEU HD1 . 50337 1 356 . 1 . 1 29 29 LEU HD12 H 1 0.996 0.00 . . . . . . . 29 LEU HD1 . 50337 1 357 . 1 . 1 29 29 LEU HD13 H 1 0.996 0.00 . . . . . . . 29 LEU HD1 . 50337 1 358 . 1 . 1 29 29 LEU HD21 H 1 0.929 0.00 . . . . . . . 29 LEU HD2 . 50337 1 359 . 1 . 1 29 29 LEU HD22 H 1 0.929 0.00 . . . . . . . 29 LEU HD2 . 50337 1 360 . 1 . 1 29 29 LEU HD23 H 1 0.929 0.00 . . . . . . . 29 LEU HD2 . 50337 1 361 . 1 . 1 29 29 LEU C C 13 178.375 0.00 . . . . . . . 29 LEU C . 50337 1 362 . 1 . 1 29 29 LEU CA C 13 57.761 0.00 . . . . . . . 29 LEU CA . 50337 1 363 . 1 . 1 29 29 LEU CB C 13 41.777 0.00 . . . . . . . 29 LEU CB . 50337 1 364 . 1 . 1 29 29 LEU CG C 13 27.518 0.00 . . . . . . . 29 LEU CG . 50337 1 365 . 1 . 1 29 29 LEU CD1 C 13 26.289 0.00 . . . . . . . 29 LEU CD1 . 50337 1 366 . 1 . 1 29 29 LEU CD2 C 13 24.434 0.00 . . . . . . . 29 LEU CD2 . 50337 1 367 . 1 . 1 29 29 LEU N N 15 120.030 0.01 . . . . . . . 29 LEU N . 50337 1 368 . 1 . 1 30 30 TRP H H 1 7.765 0.00 . . . . . . . 30 TRP H . 50337 1 369 . 1 . 1 30 30 TRP HA H 1 3.693 0.00 . . . . . . . 30 TRP HA . 50337 1 370 . 1 . 1 30 30 TRP HB2 H 1 3.406 0.00 . . . . . . . 30 TRP HB2 . 50337 1 371 . 1 . 1 30 30 TRP HB3 H 1 3.234 0.00 . . . . . . . 30 TRP HB3 . 50337 1 372 . 1 . 1 30 30 TRP HD1 H 1 6.922 0.00 . . . . . . . 30 TRP HD1 . 50337 1 373 . 1 . 1 30 30 TRP HE1 H 1 9.960 0.00 . . . . . . . 30 TRP HE1 . 50337 1 374 . 1 . 1 30 30 TRP HE3 H 1 7.190 0.00 . . . . . . . 30 TRP HE3 . 50337 1 375 . 1 . 1 30 30 TRP HZ2 H 1 7.335 0.00 . . . . . . . 30 TRP HZ2 . 50337 1 376 . 1 . 1 30 30 TRP HZ3 H 1 7.034 0.00 . . . . . . . 30 TRP HZ3 . 50337 1 377 . 1 . 1 30 30 TRP HH2 H 1 7.127 0.00 . . . . . . . 30 TRP HH2 . 50337 1 378 . 1 . 1 30 30 TRP C C 13 177.160 0.00 . . . . . . . 30 TRP C . 50337 1 379 . 1 . 1 30 30 TRP CA C 13 62.329 0.00 . . . . . . . 30 TRP CA . 50337 1 380 . 1 . 1 30 30 TRP CB C 13 29.310 0.00 . . . . . . . 30 TRP CB . 50337 1 381 . 1 . 1 30 30 TRP CD1 C 13 127.257 0.00 . . . . . . . 30 TRP CD1 . 50337 1 382 . 1 . 1 30 30 TRP CE3 C 13 120.797 0.00 . . . . . . . 30 TRP CE3 . 50337 1 383 . 1 . 1 30 30 TRP CZ2 C 13 114.392 0.00 . . . . . . . 30 TRP CZ2 . 50337 1 384 . 1 . 1 30 30 TRP CZ3 C 13 122.471 0.00 . . . . . . . 30 TRP CZ3 . 50337 1 385 . 1 . 1 30 30 TRP CH2 C 13 124.114 0.00 . . . . . . . 30 TRP CH2 . 50337 1 386 . 1 . 1 30 30 TRP N N 15 121.143 0.00 . . . . . . . 30 TRP N . 50337 1 387 . 1 . 1 30 30 TRP NE1 N 15 129.049 0.00 . . . . . . . 30 TRP NE1 . 50337 1 388 . 1 . 1 31 31 ALA H H 1 7.474 0.00 . . . . . . . 31 ALA H . 50337 1 389 . 1 . 1 31 31 ALA HA H 1 4.093 0.00 . . . . . . . 31 ALA HA . 50337 1 390 . 1 . 1 31 31 ALA HB1 H 1 1.690 0.00 . . . . . . . 31 ALA HB . 50337 1 391 . 1 . 1 31 31 ALA HB2 H 1 1.690 0.00 . . . . . . . 31 ALA HB . 50337 1 392 . 1 . 1 31 31 ALA HB3 H 1 1.690 0.00 . . . . . . . 31 ALA HB . 50337 1 393 . 1 . 1 31 31 ALA C C 13 180.519 0.00 . . . . . . . 31 ALA C . 50337 1 394 . 1 . 1 31 31 ALA CA C 13 55.369 0.00 . . . . . . . 31 ALA CA . 50337 1 395 . 1 . 1 31 31 ALA CB C 13 18.108 0.00 . . . . . . . 31 ALA CB . 50337 1 396 . 1 . 1 31 31 ALA N N 15 118.384 0.00 . . . . . . . 31 ALA N . 50337 1 397 . 1 . 1 32 32 GLN H H 1 8.497 0.00 . . . . . . . 32 GLN H . 50337 1 398 . 1 . 1 32 32 GLN HA H 1 4.104 0.00 . . . . . . . 32 GLN HA . 50337 1 399 . 1 . 1 32 32 GLN HB2 H 1 2.284 0.00 . . . . . . . 32 GLN HB . 50337 1 400 . 1 . 1 32 32 GLN HB3 H 1 2.284 0.00 . . . . . . . 32 GLN HB . 50337 1 401 . 1 . 1 32 32 GLN HG2 H 1 2.545 0.00 . . . . . . . 32 GLN HG2 . 50337 1 402 . 1 . 1 32 32 GLN HG3 H 1 2.266 0.00 . . . . . . . 32 GLN HG3 . 50337 1 403 . 1 . 1 32 32 GLN HE21 H 1 7.231 0.00 . . . . . . . 32 GLN HE21 . 50337 1 404 . 1 . 1 32 32 GLN HE22 H 1 6.673 0.00 . . . . . . . 32 GLN HE22 . 50337 1 405 . 1 . 1 32 32 GLN C C 13 179.042 0.00 . . . . . . . 32 GLN C . 50337 1 406 . 1 . 1 32 32 GLN CA C 13 58.985 0.00 . . . . . . . 32 GLN CA . 50337 1 407 . 1 . 1 32 32 GLN CB C 13 28.547 0.00 . . . . . . . 32 GLN CB . 50337 1 408 . 1 . 1 32 32 GLN CG C 13 33.555 0.00 . . . . . . . 32 GLN CG . 50337 1 409 . 1 . 1 32 32 GLN N N 15 119.272 0.00 . . . . . . . 32 GLN N . 50337 1 410 . 1 . 1 32 32 GLN NE2 N 15 108.949 0.00 . . . . . . . 32 GLN NE2 . 50337 1 411 . 1 . 1 33 33 CYS H H 1 8.292 0.00 . . . . . . . 33 CYS H . 50337 1 412 . 1 . 1 33 33 CYS HA H 1 4.003 0.00 . . . . . . . 33 CYS HA . 50337 1 413 . 1 . 1 33 33 CYS HB2 H 1 3.022 0.00 . . . . . . . 33 CYS HB2 . 50337 1 414 . 1 . 1 33 33 CYS HB3 H 1 2.179 0.00 . . . . . . . 33 CYS HB3 . 50337 1 415 . 1 . 1 33 33 CYS C C 13 176.254 0.00 . . . . . . . 33 CYS C . 50337 1 416 . 1 . 1 33 33 CYS CA C 13 64.821 0.00 . . . . . . . 33 CYS CA . 50337 1 417 . 1 . 1 33 33 CYS CB C 13 27.308 0.00 . . . . . . . 33 CYS CB . 50337 1 418 . 1 . 1 33 33 CYS N N 15 118.147 0.00 . . . . . . . 33 CYS N . 50337 1 419 . 1 . 1 34 34 VAL H H 1 8.073 0.00 . . . . . . . 34 VAL H . 50337 1 420 . 1 . 1 34 34 VAL HA H 1 3.335 0.00 . . . . . . . 34 VAL HA . 50337 1 421 . 1 . 1 34 34 VAL HB H 1 1.841 0.00 . . . . . . . 34 VAL HB . 50337 1 422 . 1 . 1 34 34 VAL HG11 H 1 0.741 0.00 . . . . . . . 34 VAL HG1 . 50337 1 423 . 1 . 1 34 34 VAL HG12 H 1 0.741 0.00 . . . . . . . 34 VAL HG1 . 50337 1 424 . 1 . 1 34 34 VAL HG13 H 1 0.741 0.00 . . . . . . . 34 VAL HG1 . 50337 1 425 . 1 . 1 34 34 VAL HG21 H 1 0.227 0.00 . . . . . . . 34 VAL HG2 . 50337 1 426 . 1 . 1 34 34 VAL HG22 H 1 0.227 0.00 . . . . . . . 34 VAL HG2 . 50337 1 427 . 1 . 1 34 34 VAL HG23 H 1 0.227 0.00 . . . . . . . 34 VAL HG2 . 50337 1 428 . 1 . 1 34 34 VAL C C 13 178.202 0.00 . . . . . . . 34 VAL C . 50337 1 429 . 1 . 1 34 34 VAL CA C 13 66.973 0.00 . . . . . . . 34 VAL CA . 50337 1 430 . 1 . 1 34 34 VAL CB C 13 31.702 0.00 . . . . . . . 34 VAL CB . 50337 1 431 . 1 . 1 34 34 VAL CG1 C 13 21.293 0.00 . . . . . . . 34 VAL CG1 . 50337 1 432 . 1 . 1 34 34 VAL CG2 C 13 21.679 0.00 . . . . . . . 34 VAL CG2 . 50337 1 433 . 1 . 1 34 34 VAL N N 15 120.168 0.00 . . . . . . . 34 VAL N . 50337 1 434 . 1 . 1 35 35 GLN H H 1 8.020 0.00 . . . . . . . 35 GLN H . 50337 1 435 . 1 . 1 35 35 GLN HA H 1 4.013 0.00 . . . . . . . 35 GLN HA . 50337 1 436 . 1 . 1 35 35 GLN HB2 H 1 2.208 0.00 . . . . . . . 35 GLN HB . 50337 1 437 . 1 . 1 35 35 GLN HB3 H 1 2.208 0.00 . . . . . . . 35 GLN HB . 50337 1 438 . 1 . 1 35 35 GLN HG2 H 1 2.408 0.00 . . . . . . . 35 GLN HG . 50337 1 439 . 1 . 1 35 35 GLN HG3 H 1 2.408 0.00 . . . . . . . 35 GLN HG . 50337 1 440 . 1 . 1 35 35 GLN HE21 H 1 7.795 0.00 . . . . . . . 35 GLN HE21 . 50337 1 441 . 1 . 1 35 35 GLN HE22 H 1 6.858 0.00 . . . . . . . 35 GLN HE22 . 50337 1 442 . 1 . 1 35 35 GLN C C 13 178.011 0.00 . . . . . . . 35 GLN C . 50337 1 443 . 1 . 1 35 35 GLN CA C 13 59.075 0.00 . . . . . . . 35 GLN CA . 50337 1 444 . 1 . 1 35 35 GLN CB C 13 28.286 0.00 . . . . . . . 35 GLN CB . 50337 1 445 . 1 . 1 35 35 GLN CG C 13 33.791 0.00 . . . . . . . 35 GLN CG . 50337 1 446 . 1 . 1 35 35 GLN N N 15 119.766 0.00 . . . . . . . 35 GLN N . 50337 1 447 . 1 . 1 35 35 GLN NE2 N 15 115.183 0.00 . . . . . . . 35 GLN NE2 . 50337 1 448 . 1 . 1 36 36 LEU H H 1 8.265 0.00 . . . . . . . 36 LEU H . 50337 1 449 . 1 . 1 36 36 LEU HA H 1 4.166 0.00 . . . . . . . 36 LEU HA . 50337 1 450 . 1 . 1 36 36 LEU HB2 H 1 2.016 0.00 . . . . . . . 36 LEU HB2 . 50337 1 451 . 1 . 1 36 36 LEU HB3 H 1 1.347 0.00 . . . . . . . 36 LEU HB3 . 50337 1 452 . 1 . 1 36 36 LEU HG H 1 1.850 0.00 . . . . . . . 36 LEU HG . 50337 1 453 . 1 . 1 36 36 LEU HD11 H 1 0.858 0.00 . . . . . . . 36 LEU HD1 . 50337 1 454 . 1 . 1 36 36 LEU HD12 H 1 0.858 0.00 . . . . . . . 36 LEU HD1 . 50337 1 455 . 1 . 1 36 36 LEU HD13 H 1 0.858 0.00 . . . . . . . 36 LEU HD1 . 50337 1 456 . 1 . 1 36 36 LEU HD21 H 1 1.002 0.00 . . . . . . . 36 LEU HD2 . 50337 1 457 . 1 . 1 36 36 LEU HD22 H 1 1.002 0.00 . . . . . . . 36 LEU HD2 . 50337 1 458 . 1 . 1 36 36 LEU HD23 H 1 1.002 0.00 . . . . . . . 36 LEU HD2 . 50337 1 459 . 1 . 1 36 36 LEU C C 13 178.541 0.00 . . . . . . . 36 LEU C . 50337 1 460 . 1 . 1 36 36 LEU CA C 13 58.260 0.00 . . . . . . . 36 LEU CA . 50337 1 461 . 1 . 1 36 36 LEU CB C 13 43.260 0.00 . . . . . . . 36 LEU CB . 50337 1 462 . 1 . 1 36 36 LEU CG C 13 27.774 0.00 . . . . . . . 36 LEU CG . 50337 1 463 . 1 . 1 36 36 LEU CD1 C 13 25.164 0.00 . . . . . . . 36 LEU CD1 . 50337 1 464 . 1 . 1 36 36 LEU CD2 C 13 23.613 0.00 . . . . . . . 36 LEU CD2 . 50337 1 465 . 1 . 1 36 36 LEU N N 15 119.893 0.01 . . . . . . . 36 LEU N . 50337 1 466 . 1 . 1 37 37 HIS H H 1 8.256 0.00 . . . . . . . 37 HIS H . 50337 1 467 . 1 . 1 37 37 HIS HA H 1 4.038 0.00 . . . . . . . 37 HIS HA . 50337 1 468 . 1 . 1 37 37 HIS HB2 H 1 3.273 0.00 . . . . . . . 37 HIS HB2 . 50337 1 469 . 1 . 1 37 37 HIS HB3 H 1 2.954 0.00 . . . . . . . 37 HIS HB3 . 50337 1 470 . 1 . 1 37 37 HIS HD2 H 1 6.862 0.00 . . . . . . . 37 HIS HD2 . 50337 1 471 . 1 . 1 37 37 HIS HE1 H 1 7.660 0.00 . . . . . . . 37 HIS HE1 . 50337 1 472 . 1 . 1 37 37 HIS C C 13 176.323 0.00 . . . . . . . 37 HIS C . 50337 1 473 . 1 . 1 37 37 HIS CA C 13 61.143 0.00 . . . . . . . 37 HIS CA . 50337 1 474 . 1 . 1 37 37 HIS CB C 13 30.862 0.00 . . . . . . . 37 HIS CB . 50337 1 475 . 1 . 1 37 37 HIS CD2 C 13 118.884 0.00 . . . . . . . 37 HIS CD2 . 50337 1 476 . 1 . 1 37 37 HIS CE1 C 13 138.656 0.00 . . . . . . . 37 HIS CE1 . 50337 1 477 . 1 . 1 37 37 HIS N N 15 117.910 0.00 . . . . . . . 37 HIS N . 50337 1 478 . 1 . 1 38 38 ASN H H 1 7.981 0.00 . . . . . . . 38 ASN H . 50337 1 479 . 1 . 1 38 38 ASN HA H 1 4.200 0.00 . . . . . . . 38 ASN HA . 50337 1 480 . 1 . 1 38 38 ASN HB2 H 1 2.972 0.00 . . . . . . . 38 ASN HB2 . 50337 1 481 . 1 . 1 38 38 ASN HB3 H 1 2.905 0.00 . . . . . . . 38 ASN HB3 . 50337 1 482 . 1 . 1 38 38 ASN HD21 H 1 7.628 0.00 . . . . . . . 38 ASN HD21 . 50337 1 483 . 1 . 1 38 38 ASN HD22 H 1 6.889 0.00 . . . . . . . 38 ASN HD22 . 50337 1 484 . 1 . 1 38 38 ASN C C 13 177.184 0.00 . . . . . . . 38 ASN C . 50337 1 485 . 1 . 1 38 38 ASN CA C 13 56.624 0.00 . . . . . . . 38 ASN CA . 50337 1 486 . 1 . 1 38 38 ASN CB C 13 38.342 0.01 . . . . . . . 38 ASN CB . 50337 1 487 . 1 . 1 38 38 ASN N N 15 117.808 0.00 . . . . . . . 38 ASN N . 50337 1 488 . 1 . 1 38 38 ASN ND2 N 15 112.718 0.00 . . . . . . . 38 ASN ND2 . 50337 1 489 . 1 . 1 39 39 ASP H H 1 8.409 0.00 . . . . . . . 39 ASP H . 50337 1 490 . 1 . 1 39 39 ASP HA H 1 4.280 0.00 . . . . . . . 39 ASP HA . 50337 1 491 . 1 . 1 39 39 ASP HB2 H 1 3.046 0.00 . . . . . . . 39 ASP HB2 . 50337 1 492 . 1 . 1 39 39 ASP HB3 H 1 2.472 0.00 . . . . . . . 39 ASP HB3 . 50337 1 493 . 1 . 1 39 39 ASP C C 13 179.515 0.00 . . . . . . . 39 ASP C . 50337 1 494 . 1 . 1 39 39 ASP CA C 13 57.154 0.00 . . . . . . . 39 ASP CA . 50337 1 495 . 1 . 1 39 39 ASP CB C 13 40.385 0.00 . . . . . . . 39 ASP CB . 50337 1 496 . 1 . 1 39 39 ASP N N 15 119.301 0.00 . . . . . . . 39 ASP N . 50337 1 497 . 1 . 1 40 40 ILE H H 1 8.241 0.00 . . . . . . . 40 ILE H . 50337 1 498 . 1 . 1 40 40 ILE HA H 1 3.351 0.00 . . . . . . . 40 ILE HA . 50337 1 499 . 1 . 1 40 40 ILE HB H 1 1.937 0.00 . . . . . . . 40 ILE HB . 50337 1 500 . 1 . 1 40 40 ILE HG12 H 1 1.899 0.00 . . . . . . . 40 ILE HG12 . 50337 1 501 . 1 . 1 40 40 ILE HG13 H 1 0.956 0.00 . . . . . . . 40 ILE HG13 . 50337 1 502 . 1 . 1 40 40 ILE HG21 H 1 0.793 0.00 . . . . . . . 40 ILE HG2 . 50337 1 503 . 1 . 1 40 40 ILE HG22 H 1 0.793 0.00 . . . . . . . 40 ILE HG2 . 50337 1 504 . 1 . 1 40 40 ILE HG23 H 1 0.793 0.00 . . . . . . . 40 ILE HG2 . 50337 1 505 . 1 . 1 40 40 ILE HD11 H 1 0.820 0.00 . . . . . . . 40 ILE HD1 . 50337 1 506 . 1 . 1 40 40 ILE HD12 H 1 0.820 0.00 . . . . . . . 40 ILE HD1 . 50337 1 507 . 1 . 1 40 40 ILE HD13 H 1 0.820 0.00 . . . . . . . 40 ILE HD1 . 50337 1 508 . 1 . 1 40 40 ILE C C 13 178.046 0.00 . . . . . . . 40 ILE C . 50337 1 509 . 1 . 1 40 40 ILE CA C 13 66.298 0.00 . . . . . . . 40 ILE CA . 50337 1 510 . 1 . 1 40 40 ILE CB C 13 38.007 0.00 . . . . . . . 40 ILE CB . 50337 1 511 . 1 . 1 40 40 ILE CG1 C 13 31.535 0.00 . . . . . . . 40 ILE CG1 . 50337 1 512 . 1 . 1 40 40 ILE CG2 C 13 18.236 0.00 . . . . . . . 40 ILE CG2 . 50337 1 513 . 1 . 1 40 40 ILE CD1 C 13 15.895 0.00 . . . . . . . 40 ILE CD1 . 50337 1 514 . 1 . 1 40 40 ILE N N 15 122.432 0.02 . . . . . . . 40 ILE N . 50337 1 515 . 1 . 1 41 41 LEU H H 1 7.453 0.00 . . . . . . . 41 LEU H . 50337 1 516 . 1 . 1 41 41 LEU HA H 1 3.893 0.00 . . . . . . . 41 LEU HA . 50337 1 517 . 1 . 1 41 41 LEU HB2 H 1 1.781 0.00 . . . . . . . 41 LEU HB2 . 50337 1 518 . 1 . 1 41 41 LEU HB3 H 1 1.442 0.00 . . . . . . . 41 LEU HB3 . 50337 1 519 . 1 . 1 41 41 LEU HG H 1 1.498 0.00 . . . . . . . 41 LEU HG . 50337 1 520 . 1 . 1 41 41 LEU HD11 H 1 0.716 0.00 . . . . . . . 41 LEU HD1 . 50337 1 521 . 1 . 1 41 41 LEU HD12 H 1 0.716 0.00 . . . . . . . 41 LEU HD1 . 50337 1 522 . 1 . 1 41 41 LEU HD13 H 1 0.716 0.00 . . . . . . . 41 LEU HD1 . 50337 1 523 . 1 . 1 41 41 LEU HD21 H 1 0.717 0.00 . . . . . . . 41 LEU HD2 . 50337 1 524 . 1 . 1 41 41 LEU HD22 H 1 0.717 0.00 . . . . . . . 41 LEU HD2 . 50337 1 525 . 1 . 1 41 41 LEU HD23 H 1 0.717 0.00 . . . . . . . 41 LEU HD2 . 50337 1 526 . 1 . 1 41 41 LEU C C 13 178.689 0.00 . . . . . . . 41 LEU C . 50337 1 527 . 1 . 1 41 41 LEU CA C 13 57.611 0.00 . . . . . . . 41 LEU CA . 50337 1 528 . 1 . 1 41 41 LEU CB C 13 40.994 0.00 . . . . . . . 41 LEU CB . 50337 1 529 . 1 . 1 41 41 LEU CG C 13 27.120 0.00 . . . . . . . 41 LEU CG . 50337 1 530 . 1 . 1 41 41 LEU CD1 C 13 25.277 0.00 . . . . . . . 41 LEU CD1 . 50337 1 531 . 1 . 1 41 41 LEU CD2 C 13 23.107 0.00 . . . . . . . 41 LEU CD2 . 50337 1 532 . 1 . 1 41 41 LEU N N 15 118.835 0.00 . . . . . . . 41 LEU N . 50337 1 533 . 1 . 1 42 42 LEU H H 1 7.392 0.00 . . . . . . . 42 LEU H . 50337 1 534 . 1 . 1 42 42 LEU HA H 1 4.293 0.00 . . . . . . . 42 LEU HA . 50337 1 535 . 1 . 1 42 42 LEU HB2 H 1 1.666 0.00 . . . . . . . 42 LEU HB . 50337 1 536 . 1 . 1 42 42 LEU HB3 H 1 1.666 0.00 . . . . . . . 42 LEU HB . 50337 1 537 . 1 . 1 42 42 LEU HG H 1 1.675 0.00 . . . . . . . 42 LEU HG . 50337 1 538 . 1 . 1 42 42 LEU HD11 H 1 0.864 0.00 . . . . . . . 42 LEU HD1 . 50337 1 539 . 1 . 1 42 42 LEU HD12 H 1 0.864 0.00 . . . . . . . 42 LEU HD1 . 50337 1 540 . 1 . 1 42 42 LEU HD13 H 1 0.864 0.00 . . . . . . . 42 LEU HD1 . 50337 1 541 . 1 . 1 42 42 LEU HD21 H 1 0.815 0.00 . . . . . . . 42 LEU HD2 . 50337 1 542 . 1 . 1 42 42 LEU HD22 H 1 0.815 0.00 . . . . . . . 42 LEU HD2 . 50337 1 543 . 1 . 1 42 42 LEU HD23 H 1 0.815 0.00 . . . . . . . 42 LEU HD2 . 50337 1 544 . 1 . 1 42 42 LEU C C 13 177.049 0.00 . . . . . . . 42 LEU C . 50337 1 545 . 1 . 1 42 42 LEU CA C 13 54.270 0.00 . . . . . . . 42 LEU CA . 50337 1 546 . 1 . 1 42 42 LEU CB C 13 42.243 0.00 . . . . . . . 42 LEU CB . 50337 1 547 . 1 . 1 42 42 LEU CG C 13 26.889 0.00 . . . . . . . 42 LEU CG . 50337 1 548 . 1 . 1 42 42 LEU CD1 C 13 25.381 0.00 . . . . . . . 42 LEU CD1 . 50337 1 549 . 1 . 1 42 42 LEU CD2 C 13 22.650 0.00 . . . . . . . 42 LEU CD2 . 50337 1 550 . 1 . 1 42 42 LEU N N 15 116.157 0.00 . . . . . . . 42 LEU N . 50337 1 551 . 1 . 1 43 43 ALA H H 1 7.230 0.00 . . . . . . . 43 ALA H . 50337 1 552 . 1 . 1 43 43 ALA HA H 1 4.124 0.00 . . . . . . . 43 ALA HA . 50337 1 553 . 1 . 1 43 43 ALA HB1 H 1 1.414 0.00 . . . . . . . 43 ALA HB . 50337 1 554 . 1 . 1 43 43 ALA HB2 H 1 1.414 0.00 . . . . . . . 43 ALA HB . 50337 1 555 . 1 . 1 43 43 ALA HB3 H 1 1.414 0.00 . . . . . . . 43 ALA HB . 50337 1 556 . 1 . 1 43 43 ALA C C 13 178.598 0.00 . . . . . . . 43 ALA C . 50337 1 557 . 1 . 1 43 43 ALA CA C 13 52.983 0.00 . . . . . . . 43 ALA CA . 50337 1 558 . 1 . 1 43 43 ALA CB C 13 18.497 0.00 . . . . . . . 43 ALA CB . 50337 1 559 . 1 . 1 43 43 ALA N N 15 123.707 0.00 . . . . . . . 43 ALA N . 50337 1 560 . 1 . 1 44 44 LYS H H 1 8.789 0.00 . . . . . . . 44 LYS H . 50337 1 561 . 1 . 1 44 44 LYS HA H 1 4.147 0.00 . . . . . . . 44 LYS HA . 50337 1 562 . 1 . 1 44 44 LYS HB2 H 1 1.886 0.00 . . . . . . . 44 LYS HB . 50337 1 563 . 1 . 1 44 44 LYS HB3 H 1 1.886 0.00 . . . . . . . 44 LYS HB . 50337 1 564 . 1 . 1 44 44 LYS HG2 H 1 1.521 0.00 . . . . . . . 44 LYS HG . 50337 1 565 . 1 . 1 44 44 LYS HG3 H 1 1.521 0.00 . . . . . . . 44 LYS HG . 50337 1 566 . 1 . 1 44 44 LYS HD2 H 1 1.720 0.00 . . . . . . . 44 LYS HD . 50337 1 567 . 1 . 1 44 44 LYS HD3 H 1 1.720 0.00 . . . . . . . 44 LYS HD . 50337 1 568 . 1 . 1 44 44 LYS HE2 H 1 3.049 0.00 . . . . . . . 44 LYS HE . 50337 1 569 . 1 . 1 44 44 LYS HE3 H 1 3.049 0.00 . . . . . . . 44 LYS HE . 50337 1 570 . 1 . 1 44 44 LYS C C 13 175.987 0.00 . . . . . . . 44 LYS C . 50337 1 571 . 1 . 1 44 44 LYS CA C 13 57.739 0.00 . . . . . . . 44 LYS CA . 50337 1 572 . 1 . 1 44 44 LYS CB C 13 32.833 0.00 . . . . . . . 44 LYS CB . 50337 1 573 . 1 . 1 44 44 LYS CG C 13 24.621 0.00 . . . . . . . 44 LYS CG . 50337 1 574 . 1 . 1 44 44 LYS CD C 13 28.940 0.00 . . . . . . . 44 LYS CD . 50337 1 575 . 1 . 1 44 44 LYS CE C 13 42.125 0.00 . . . . . . . 44 LYS CE . 50337 1 576 . 1 . 1 44 44 LYS N N 15 121.593 0.00 . . . . . . . 44 LYS N . 50337 1 577 . 1 . 1 45 45 ASP H H 1 7.586 0.00 . . . . . . . 45 ASP H . 50337 1 578 . 1 . 1 45 45 ASP HA H 1 4.733 0.00 . . . . . . . 45 ASP HA . 50337 1 579 . 1 . 1 45 45 ASP HB2 H 1 2.998 0.00 . . . . . . . 45 ASP HB2 . 50337 1 580 . 1 . 1 45 45 ASP HB3 H 1 2.889 0.00 . . . . . . . 45 ASP HB3 . 50337 1 581 . 1 . 1 45 45 ASP C C 13 175.697 0.00 . . . . . . . 45 ASP C . 50337 1 582 . 1 . 1 45 45 ASP CA C 13 52.685 0.00 . . . . . . . 45 ASP CA . 50337 1 583 . 1 . 1 45 45 ASP CB C 13 43.011 0.01 . . . . . . . 45 ASP CB . 50337 1 584 . 1 . 1 45 45 ASP N N 15 115.425 0.00 . . . . . . . 45 ASP N . 50337 1 585 . 1 . 1 46 46 THR H H 1 8.560 0.00 . . . . . . . 46 THR H . 50337 1 586 . 1 . 1 46 46 THR HA H 1 3.718 0.00 . . . . . . . 46 THR HA . 50337 1 587 . 1 . 1 46 46 THR HB H 1 4.135 0.00 . . . . . . . 46 THR HB . 50337 1 588 . 1 . 1 46 46 THR HG21 H 1 1.208 0.00 . . . . . . . 46 THR HG2 . 50337 1 589 . 1 . 1 46 46 THR HG22 H 1 1.208 0.00 . . . . . . . 46 THR HG2 . 50337 1 590 . 1 . 1 46 46 THR HG23 H 1 1.208 0.00 . . . . . . . 46 THR HG2 . 50337 1 591 . 1 . 1 46 46 THR C C 13 175.364 0.00 . . . . . . . 46 THR C . 50337 1 592 . 1 . 1 46 46 THR CA C 13 65.984 0.00 . . . . . . . 46 THR CA . 50337 1 593 . 1 . 1 46 46 THR CB C 13 68.932 0.00 . . . . . . . 46 THR CB . 50337 1 594 . 1 . 1 46 46 THR CG2 C 13 22.876 0.00 . . . . . . . 46 THR CG2 . 50337 1 595 . 1 . 1 46 46 THR N N 15 115.982 0.00 . . . . . . . 46 THR N . 50337 1 596 . 1 . 1 47 47 THR H H 1 8.049 0.00 . . . . . . . 47 THR H . 50337 1 597 . 1 . 1 47 47 THR HA H 1 3.869 0.00 . . . . . . . 47 THR HA . 50337 1 598 . 1 . 1 47 47 THR HB H 1 4.273 0.00 . . . . . . . 47 THR HB . 50337 1 599 . 1 . 1 47 47 THR HG21 H 1 1.288 0.00 . . . . . . . 47 THR HG2 . 50337 1 600 . 1 . 1 47 47 THR HG22 H 1 1.288 0.00 . . . . . . . 47 THR HG2 . 50337 1 601 . 1 . 1 47 47 THR HG23 H 1 1.288 0.00 . . . . . . . 47 THR HG2 . 50337 1 602 . 1 . 1 47 47 THR C C 13 175.376 0.00 . . . . . . . 47 THR C . 50337 1 603 . 1 . 1 47 47 THR CA C 13 67.775 0.00 . . . . . . . 47 THR CA . 50337 1 604 . 1 . 1 47 47 THR CB C 13 68.189 0.00 . . . . . . . 47 THR CB . 50337 1 605 . 1 . 1 47 47 THR CG2 C 13 22.219 0.00 . . . . . . . 47 THR CG2 . 50337 1 606 . 1 . 1 47 47 THR N N 15 118.579 0.00 . . . . . . . 47 THR N . 50337 1 607 . 1 . 1 48 48 GLU H H 1 8.272 0.00 . . . . . . . 48 GLU H . 50337 1 608 . 1 . 1 48 48 GLU HA H 1 4.060 0.00 . . . . . . . 48 GLU HA . 50337 1 609 . 1 . 1 48 48 GLU HB2 H 1 2.136 0.00 . . . . . . . 48 GLU HB2 . 50337 1 610 . 1 . 1 48 48 GLU HB3 H 1 2.031 0.00 . . . . . . . 48 GLU HB3 . 50337 1 611 . 1 . 1 48 48 GLU HG2 H 1 2.435 0.00 . . . . . . . 48 GLU HG2 . 50337 1 612 . 1 . 1 48 48 GLU HG3 H 1 2.098 0.00 . . . . . . . 48 GLU HG3 . 50337 1 613 . 1 . 1 48 48 GLU C C 13 178.193 0.00 . . . . . . . 48 GLU C . 50337 1 614 . 1 . 1 48 48 GLU CA C 13 59.127 0.00 . . . . . . . 48 GLU CA . 50337 1 615 . 1 . 1 48 48 GLU CB C 13 29.912 0.00 . . . . . . . 48 GLU CB . 50337 1 616 . 1 . 1 48 48 GLU CG C 13 36.724 0.00 . . . . . . . 48 GLU CG . 50337 1 617 . 1 . 1 48 48 GLU N N 15 122.117 0.00 . . . . . . . 48 GLU N . 50337 1 618 . 1 . 1 49 49 ALA H H 1 7.824 0.00 . . . . . . . 49 ALA H . 50337 1 619 . 1 . 1 49 49 ALA HA H 1 3.758 0.00 . . . . . . . 49 ALA HA . 50337 1 620 . 1 . 1 49 49 ALA HB1 H 1 1.268 0.00 . . . . . . . 49 ALA HB . 50337 1 621 . 1 . 1 49 49 ALA HB2 H 1 1.268 0.00 . . . . . . . 49 ALA HB . 50337 1 622 . 1 . 1 49 49 ALA HB3 H 1 1.268 0.00 . . . . . . . 49 ALA HB . 50337 1 623 . 1 . 1 49 49 ALA C C 13 179.299 0.00 . . . . . . . 49 ALA C . 50337 1 624 . 1 . 1 49 49 ALA CA C 13 55.903 0.00 . . . . . . . 49 ALA CA . 50337 1 625 . 1 . 1 49 49 ALA CB C 13 17.578 0.00 . . . . . . . 49 ALA CB . 50337 1 626 . 1 . 1 49 49 ALA N N 15 120.228 0.00 . . . . . . . 49 ALA N . 50337 1 627 . 1 . 1 50 50 PHE H H 1 8.242 0.00 . . . . . . . 50 PHE H . 50337 1 628 . 1 . 1 50 50 PHE HA H 1 4.250 0.00 . . . . . . . 50 PHE HA . 50337 1 629 . 1 . 1 50 50 PHE HB2 H 1 2.719 0.00 . . . . . . . 50 PHE HB2 . 50337 1 630 . 1 . 1 50 50 PHE HB3 H 1 2.516 0.00 . . . . . . . 50 PHE HB3 . 50337 1 631 . 1 . 1 50 50 PHE HD1 H 1 7.217 0.00 . . . . . . . 50 PHE HD . 50337 1 632 . 1 . 1 50 50 PHE HD2 H 1 7.217 0.00 . . . . . . . 50 PHE HD . 50337 1 633 . 1 . 1 50 50 PHE HE1 H 1 7.293 0.00 . . . . . . . 50 PHE HE . 50337 1 634 . 1 . 1 50 50 PHE HE2 H 1 7.293 0.00 . . . . . . . 50 PHE HE . 50337 1 635 . 1 . 1 50 50 PHE HZ H 1 7.326 0.00 . . . . . . . 50 PHE HZ . 50337 1 636 . 1 . 1 50 50 PHE C C 13 178.249 0.00 . . . . . . . 50 PHE C . 50337 1 637 . 1 . 1 50 50 PHE CA C 13 61.407 0.00 . . . . . . . 50 PHE CA . 50337 1 638 . 1 . 1 50 50 PHE CB C 13 38.643 0.00 . . . . . . . 50 PHE CB . 50337 1 639 . 1 . 1 50 50 PHE CD1 C 13 131.121 0.00 . . . . . . . 50 PHE CD . 50337 1 640 . 1 . 1 50 50 PHE CD2 C 13 131.121 0.00 . . . . . . . 50 PHE CD . 50337 1 641 . 1 . 1 50 50 PHE CE1 C 13 131.106 0.00 . . . . . . . 50 PHE CE . 50337 1 642 . 1 . 1 50 50 PHE CE2 C 13 131.106 0.00 . . . . . . . 50 PHE CE . 50337 1 643 . 1 . 1 50 50 PHE CZ C 13 130.475 0.00 . . . . . . . 50 PHE CZ . 50337 1 644 . 1 . 1 50 50 PHE N N 15 115.932 0.01 . . . . . . . 50 PHE N . 50337 1 645 . 1 . 1 51 51 GLU H H 1 8.337 0.00 . . . . . . . 51 GLU H . 50337 1 646 . 1 . 1 51 51 GLU HA H 1 3.548 0.00 . . . . . . . 51 GLU HA . 50337 1 647 . 1 . 1 51 51 GLU HB2 H 1 2.002 0.00 . . . . . . . 51 GLU HB . 50337 1 648 . 1 . 1 51 51 GLU HB3 H 1 2.002 0.00 . . . . . . . 51 GLU HB . 50337 1 649 . 1 . 1 51 51 GLU HG2 H 1 2.285 0.00 . . . . . . . 51 GLU HG2 . 50337 1 650 . 1 . 1 51 51 GLU HG3 H 1 2.020 0.00 . . . . . . . 51 GLU HG3 . 50337 1 651 . 1 . 1 51 51 GLU C C 13 180.310 0.00 . . . . . . . 51 GLU C . 50337 1 652 . 1 . 1 51 51 GLU CA C 13 60.281 0.00 . . . . . . . 51 GLU CA . 50337 1 653 . 1 . 1 51 51 GLU CB C 13 29.501 0.00 . . . . . . . 51 GLU CB . 50337 1 654 . 1 . 1 51 51 GLU CG C 13 36.693 0.00 . . . . . . . 51 GLU CG . 50337 1 655 . 1 . 1 51 51 GLU N N 15 119.840 0.00 . . . . . . . 51 GLU N . 50337 1 656 . 1 . 1 52 52 LYS H H 1 8.153 0.00 . . . . . . . 52 LYS H . 50337 1 657 . 1 . 1 52 52 LYS HA H 1 4.090 0.00 . . . . . . . 52 LYS HA . 50337 1 658 . 1 . 1 52 52 LYS HB2 H 1 1.952 0.00 . . . . . . . 52 LYS HB2 . 50337 1 659 . 1 . 1 52 52 LYS HB3 H 1 1.695 0.00 . . . . . . . 52 LYS HB3 . 50337 1 660 . 1 . 1 52 52 LYS HG2 H 1 1.594 0.00 . . . . . . . 52 LYS HG2 . 50337 1 661 . 1 . 1 52 52 LYS HG3 H 1 1.522 0.00 . . . . . . . 52 LYS HG3 . 50337 1 662 . 1 . 1 52 52 LYS HD2 H 1 1.657 0.00 . . . . . . . 52 LYS HD2 . 50337 1 663 . 1 . 1 52 52 LYS HD3 H 1 1.444 0.00 . . . . . . . 52 LYS HD3 . 50337 1 664 . 1 . 1 52 52 LYS HE2 H 1 2.965 0.00 . . . . . . . 52 LYS HE . 50337 1 665 . 1 . 1 52 52 LYS HE3 H 1 2.965 0.00 . . . . . . . 52 LYS HE . 50337 1 666 . 1 . 1 52 52 LYS C C 13 178.686 0.00 . . . . . . . 52 LYS C . 50337 1 667 . 1 . 1 52 52 LYS CA C 13 59.026 0.00 . . . . . . . 52 LYS CA . 50337 1 668 . 1 . 1 52 52 LYS CB C 13 33.544 0.00 . . . . . . . 52 LYS CB . 50337 1 669 . 1 . 1 52 52 LYS CG C 13 26.581 0.00 . . . . . . . 52 LYS CG . 50337 1 670 . 1 . 1 52 52 LYS CD C 13 29.289 0.00 . . . . . . . 52 LYS CD . 50337 1 671 . 1 . 1 52 52 LYS CE C 13 42.446 0.00 . . . . . . . 52 LYS CE . 50337 1 672 . 1 . 1 52 52 LYS N N 15 118.824 0.00 . . . . . . . 52 LYS N . 50337 1 673 . 1 . 1 53 53 MET H H 1 8.609 0.00 . . . . . . . 53 MET H . 50337 1 674 . 1 . 1 53 53 MET HA H 1 4.123 0.00 . . . . . . . 53 MET HA . 50337 1 675 . 1 . 1 53 53 MET HB2 H 1 2.365 0.00 . . . . . . . 53 MET HB2 . 50337 1 676 . 1 . 1 53 53 MET HB3 H 1 2.176 0.00 . . . . . . . 53 MET HB3 . 50337 1 677 . 1 . 1 53 53 MET HG2 H 1 2.637 0.00 . . . . . . . 53 MET HG . 50337 1 678 . 1 . 1 53 53 MET HG3 H 1 2.637 0.00 . . . . . . . 53 MET HG . 50337 1 679 . 1 . 1 53 53 MET HE1 H 1 1.944 0.00 . . . . . . . 53 MET HE . 50337 1 680 . 1 . 1 53 53 MET HE2 H 1 1.944 0.00 . . . . . . . 53 MET HE . 50337 1 681 . 1 . 1 53 53 MET HE3 H 1 1.944 0.00 . . . . . . . 53 MET HE . 50337 1 682 . 1 . 1 53 53 MET C C 13 178.309 0.00 . . . . . . . 53 MET C . 50337 1 683 . 1 . 1 53 53 MET CA C 13 59.671 0.00 . . . . . . . 53 MET CA . 50337 1 684 . 1 . 1 53 53 MET CB C 13 33.496 0.00 . . . . . . . 53 MET CB . 50337 1 685 . 1 . 1 53 53 MET CG C 13 32.985 0.00 . . . . . . . 53 MET CG . 50337 1 686 . 1 . 1 53 53 MET CE C 13 17.739 0.01 . . . . . . . 53 MET CE . 50337 1 687 . 1 . 1 53 53 MET N N 15 122.473 0.01 . . . . . . . 53 MET N . 50337 1 688 . 1 . 1 54 54 VAL H H 1 8.618 0.00 . . . . . . . 54 VAL H . 50337 1 689 . 1 . 1 54 54 VAL HA H 1 3.470 0.00 . . . . . . . 54 VAL HA . 50337 1 690 . 1 . 1 54 54 VAL HB H 1 2.414 0.00 . . . . . . . 54 VAL HB . 50337 1 691 . 1 . 1 54 54 VAL HG11 H 1 1.222 0.00 . . . . . . . 54 VAL HG1 . 50337 1 692 . 1 . 1 54 54 VAL HG12 H 1 1.222 0.00 . . . . . . . 54 VAL HG1 . 50337 1 693 . 1 . 1 54 54 VAL HG13 H 1 1.222 0.00 . . . . . . . 54 VAL HG1 . 50337 1 694 . 1 . 1 54 54 VAL HG21 H 1 1.017 0.00 . . . . . . . 54 VAL HG2 . 50337 1 695 . 1 . 1 54 54 VAL HG22 H 1 1.017 0.00 . . . . . . . 54 VAL HG2 . 50337 1 696 . 1 . 1 54 54 VAL HG23 H 1 1.017 0.00 . . . . . . . 54 VAL HG2 . 50337 1 697 . 1 . 1 54 54 VAL C C 13 179.075 0.00 . . . . . . . 54 VAL C . 50337 1 698 . 1 . 1 54 54 VAL CA C 13 67.785 0.00 . . . . . . . 54 VAL CA . 50337 1 699 . 1 . 1 54 54 VAL CB C 13 31.375 0.00 . . . . . . . 54 VAL CB . 50337 1 700 . 1 . 1 54 54 VAL CG1 C 13 24.917 0.00 . . . . . . . 54 VAL CG1 . 50337 1 701 . 1 . 1 54 54 VAL CG2 C 13 21.938 0.00 . . . . . . . 54 VAL CG2 . 50337 1 702 . 1 . 1 54 54 VAL N N 15 119.682 0.00 . . . . . . . 54 VAL N . 50337 1 703 . 1 . 1 55 55 SER H H 1 7.933 0.00 . . . . . . . 55 SER H . 50337 1 704 . 1 . 1 55 55 SER HA H 1 4.209 0.00 . . . . . . . 55 SER HA . 50337 1 705 . 1 . 1 55 55 SER HB2 H 1 4.165 0.00 . . . . . . . 55 SER HB2 . 50337 1 706 . 1 . 1 55 55 SER HB3 H 1 4.035 0.00 . . . . . . . 55 SER HB3 . 50337 1 707 . 1 . 1 55 55 SER C C 13 175.662 0.00 . . . . . . . 55 SER C . 50337 1 708 . 1 . 1 55 55 SER CA C 13 62.757 0.00 . . . . . . . 55 SER CA . 50337 1 709 . 1 . 1 55 55 SER CB C 13 62.801 0.02 . . . . . . . 55 SER CB . 50337 1 710 . 1 . 1 55 55 SER N N 15 117.568 0.00 . . . . . . . 55 SER N . 50337 1 711 . 1 . 1 56 56 LEU H H 1 8.226 0.00 . . . . . . . 56 LEU H . 50337 1 712 . 1 . 1 56 56 LEU HA H 1 4.033 0.00 . . . . . . . 56 LEU HA . 50337 1 713 . 1 . 1 56 56 LEU HB2 H 1 2.104 0.00 . . . . . . . 56 LEU HB2 . 50337 1 714 . 1 . 1 56 56 LEU HB3 H 1 1.539 0.00 . . . . . . . 56 LEU HB3 . 50337 1 715 . 1 . 1 56 56 LEU HG H 1 1.448 0.00 . . . . . . . 56 LEU HG . 50337 1 716 . 1 . 1 56 56 LEU HD11 H 1 0.799 0.00 . . . . . . . 56 LEU HD1 . 50337 1 717 . 1 . 1 56 56 LEU HD12 H 1 0.799 0.00 . . . . . . . 56 LEU HD1 . 50337 1 718 . 1 . 1 56 56 LEU HD13 H 1 0.799 0.00 . . . . . . . 56 LEU HD1 . 50337 1 719 . 1 . 1 56 56 LEU HD21 H 1 0.971 0.00 . . . . . . . 56 LEU HD2 . 50337 1 720 . 1 . 1 56 56 LEU HD22 H 1 0.971 0.00 . . . . . . . 56 LEU HD2 . 50337 1 721 . 1 . 1 56 56 LEU HD23 H 1 0.971 0.00 . . . . . . . 56 LEU HD2 . 50337 1 722 . 1 . 1 56 56 LEU C C 13 177.120 0.00 . . . . . . . 56 LEU C . 50337 1 723 . 1 . 1 56 56 LEU CA C 13 58.601 0.00 . . . . . . . 56 LEU CA . 50337 1 724 . 1 . 1 56 56 LEU CB C 13 41.697 0.01 . . . . . . . 56 LEU CB . 50337 1 725 . 1 . 1 56 56 LEU CG C 13 28.064 0.00 . . . . . . . 56 LEU CG . 50337 1 726 . 1 . 1 56 56 LEU CD1 C 13 25.968 0.00 . . . . . . . 56 LEU CD1 . 50337 1 727 . 1 . 1 56 56 LEU CD2 C 13 24.082 0.00 . . . . . . . 56 LEU CD2 . 50337 1 728 . 1 . 1 56 56 LEU N N 15 122.521 0.00 . . . . . . . 56 LEU N . 50337 1 729 . 1 . 1 57 57 LEU H H 1 8.492 0.00 . . . . . . . 57 LEU H . 50337 1 730 . 1 . 1 57 57 LEU HA H 1 3.868 0.00 . . . . . . . 57 LEU HA . 50337 1 731 . 1 . 1 57 57 LEU HB2 H 1 1.870 0.00 . . . . . . . 57 LEU HB2 . 50337 1 732 . 1 . 1 57 57 LEU HB3 H 1 1.347 0.00 . . . . . . . 57 LEU HB3 . 50337 1 733 . 1 . 1 57 57 LEU HG H 1 1.998 0.00 . . . . . . . 57 LEU HG . 50337 1 734 . 1 . 1 57 57 LEU HD11 H 1 0.923 0.00 . . . . . . . 57 LEU HD1 . 50337 1 735 . 1 . 1 57 57 LEU HD12 H 1 0.923 0.00 . . . . . . . 57 LEU HD1 . 50337 1 736 . 1 . 1 57 57 LEU HD13 H 1 0.923 0.00 . . . . . . . 57 LEU HD1 . 50337 1 737 . 1 . 1 57 57 LEU HD21 H 1 0.682 0.00 . . . . . . . 57 LEU HD2 . 50337 1 738 . 1 . 1 57 57 LEU HD22 H 1 0.682 0.00 . . . . . . . 57 LEU HD2 . 50337 1 739 . 1 . 1 57 57 LEU HD23 H 1 0.682 0.00 . . . . . . . 57 LEU HD2 . 50337 1 740 . 1 . 1 57 57 LEU C C 13 179.111 0.00 . . . . . . . 57 LEU C . 50337 1 741 . 1 . 1 57 57 LEU CA C 13 58.303 0.00 . . . . . . . 57 LEU CA . 50337 1 742 . 1 . 1 57 57 LEU CB C 13 41.559 0.00 . . . . . . . 57 LEU CB . 50337 1 743 . 1 . 1 57 57 LEU CG C 13 27.777 0.00 . . . . . . . 57 LEU CG . 50337 1 744 . 1 . 1 57 57 LEU CD1 C 13 26.773 0.00 . . . . . . . 57 LEU CD1 . 50337 1 745 . 1 . 1 57 57 LEU CD2 C 13 23.120 0.00 . . . . . . . 57 LEU CD2 . 50337 1 746 . 1 . 1 57 57 LEU N N 15 116.257 0.00 . . . . . . . 57 LEU N . 50337 1 747 . 1 . 1 58 58 SER H H 1 8.535 0.00 . . . . . . . 58 SER H . 50337 1 748 . 1 . 1 58 58 SER HA H 1 4.077 0.00 . . . . . . . 58 SER HA . 50337 1 749 . 1 . 1 58 58 SER HB2 H 1 3.844 0.00 . . . . . . . 58 SER HB . 50337 1 750 . 1 . 1 58 58 SER HB3 H 1 3.844 0.00 . . . . . . . 58 SER HB . 50337 1 751 . 1 . 1 58 58 SER C C 13 176.466 0.00 . . . . . . . 58 SER C . 50337 1 752 . 1 . 1 58 58 SER CA C 13 63.031 0.00 . . . . . . . 58 SER CA . 50337 1 753 . 1 . 1 58 58 SER CB C 13 62.993 0.00 . . . . . . . 58 SER CB . 50337 1 754 . 1 . 1 58 58 SER N N 15 114.237 0.00 . . . . . . . 58 SER N . 50337 1 755 . 1 . 1 59 59 VAL H H 1 8.268 0.00 . . . . . . . 59 VAL H . 50337 1 756 . 1 . 1 59 59 VAL HA H 1 3.854 0.00 . . . . . . . 59 VAL HA . 50337 1 757 . 1 . 1 59 59 VAL HB H 1 2.240 0.00 . . . . . . . 59 VAL HB . 50337 1 758 . 1 . 1 59 59 VAL HG11 H 1 1.028 0.00 . . . . . . . 59 VAL HG1 . 50337 1 759 . 1 . 1 59 59 VAL HG12 H 1 1.028 0.00 . . . . . . . 59 VAL HG1 . 50337 1 760 . 1 . 1 59 59 VAL HG13 H 1 1.028 0.00 . . . . . . . 59 VAL HG1 . 50337 1 761 . 1 . 1 59 59 VAL HG21 H 1 0.910 0.00 . . . . . . . 59 VAL HG2 . 50337 1 762 . 1 . 1 59 59 VAL HG22 H 1 0.910 0.00 . . . . . . . 59 VAL HG2 . 50337 1 763 . 1 . 1 59 59 VAL HG23 H 1 0.910 0.00 . . . . . . . 59 VAL HG2 . 50337 1 764 . 1 . 1 59 59 VAL C C 13 179.329 0.00 . . . . . . . 59 VAL C . 50337 1 765 . 1 . 1 59 59 VAL CA C 13 66.344 0.00 . . . . . . . 59 VAL CA . 50337 1 766 . 1 . 1 59 59 VAL CB C 13 31.283 0.00 . . . . . . . 59 VAL CB . 50337 1 767 . 1 . 1 59 59 VAL CG1 C 13 22.717 0.00 . . . . . . . 59 VAL CG1 . 50337 1 768 . 1 . 1 59 59 VAL CG2 C 13 21.544 0.00 . . . . . . . 59 VAL CG2 . 50337 1 769 . 1 . 1 59 59 VAL N N 15 123.708 0.00 . . . . . . . 59 VAL N . 50337 1 770 . 1 . 1 60 60 LEU H H 1 7.506 0.00 . . . . . . . 60 LEU H . 50337 1 771 . 1 . 1 60 60 LEU HA H 1 4.066 0.00 . . . . . . . 60 LEU HA . 50337 1 772 . 1 . 1 60 60 LEU HB2 H 1 2.017 0.00 . . . . . . . 60 LEU HB2 . 50337 1 773 . 1 . 1 60 60 LEU HB3 H 1 1.218 0.00 . . . . . . . 60 LEU HB3 . 50337 1 774 . 1 . 1 60 60 LEU HG H 1 1.940 0.00 . . . . . . . 60 LEU HG . 50337 1 775 . 1 . 1 60 60 LEU HD11 H 1 0.602 0.00 . . . . . . . 60 LEU HD1 . 50337 1 776 . 1 . 1 60 60 LEU HD12 H 1 0.602 0.00 . . . . . . . 60 LEU HD1 . 50337 1 777 . 1 . 1 60 60 LEU HD13 H 1 0.602 0.00 . . . . . . . 60 LEU HD1 . 50337 1 778 . 1 . 1 60 60 LEU HD21 H 1 0.788 0.00 . . . . . . . 60 LEU HD2 . 50337 1 779 . 1 . 1 60 60 LEU HD22 H 1 0.788 0.00 . . . . . . . 60 LEU HD2 . 50337 1 780 . 1 . 1 60 60 LEU HD23 H 1 0.788 0.00 . . . . . . . 60 LEU HD2 . 50337 1 781 . 1 . 1 60 60 LEU C C 13 179.268 0.00 . . . . . . . 60 LEU C . 50337 1 782 . 1 . 1 60 60 LEU CA C 13 57.838 0.00 . . . . . . . 60 LEU CA . 50337 1 783 . 1 . 1 60 60 LEU CB C 13 42.072 0.00 . . . . . . . 60 LEU CB . 50337 1 784 . 1 . 1 60 60 LEU CG C 13 26.465 0.00 . . . . . . . 60 LEU CG . 50337 1 785 . 1 . 1 60 60 LEU CD1 C 13 24.702 0.00 . . . . . . . 60 LEU CD1 . 50337 1 786 . 1 . 1 60 60 LEU CD2 C 13 22.637 0.00 . . . . . . . 60 LEU CD2 . 50337 1 787 . 1 . 1 60 60 LEU N N 15 119.975 0.00 . . . . . . . 60 LEU N . 50337 1 788 . 1 . 1 61 61 LEU H H 1 8.250 0.00 . . . . . . . 61 LEU H . 50337 1 789 . 1 . 1 61 61 LEU HA H 1 4.004 0.00 . . . . . . . 61 LEU HA . 50337 1 790 . 1 . 1 61 61 LEU HB2 H 1 1.976 0.00 . . . . . . . 61 LEU HB2 . 50337 1 791 . 1 . 1 61 61 LEU HB3 H 1 1.394 0.00 . . . . . . . 61 LEU HB3 . 50337 1 792 . 1 . 1 61 61 LEU HG H 1 1.660 0.00 . . . . . . . 61 LEU HG . 50337 1 793 . 1 . 1 61 61 LEU HD11 H 1 0.966 0.00 . . . . . . . 61 LEU HD1 . 50337 1 794 . 1 . 1 61 61 LEU HD12 H 1 0.966 0.00 . . . . . . . 61 LEU HD1 . 50337 1 795 . 1 . 1 61 61 LEU HD13 H 1 0.966 0.00 . . . . . . . 61 LEU HD1 . 50337 1 796 . 1 . 1 61 61 LEU HD21 H 1 0.791 0.00 . . . . . . . 61 LEU HD2 . 50337 1 797 . 1 . 1 61 61 LEU HD22 H 1 0.791 0.00 . . . . . . . 61 LEU HD2 . 50337 1 798 . 1 . 1 61 61 LEU HD23 H 1 0.791 0.00 . . . . . . . 61 LEU HD2 . 50337 1 799 . 1 . 1 61 61 LEU C C 13 179.457 0.00 . . . . . . . 61 LEU C . 50337 1 800 . 1 . 1 61 61 LEU CA C 13 57.890 0.00 . . . . . . . 61 LEU CA . 50337 1 801 . 1 . 1 61 61 LEU CB C 13 42.273 0.01 . . . . . . . 61 LEU CB . 50337 1 802 . 1 . 1 61 61 LEU CG C 13 27.734 0.00 . . . . . . . 61 LEU CG . 50337 1 803 . 1 . 1 61 61 LEU CD1 C 13 26.241 0.00 . . . . . . . 61 LEU CD1 . 50337 1 804 . 1 . 1 61 61 LEU CD2 C 13 24.733 0.00 . . . . . . . 61 LEU CD2 . 50337 1 805 . 1 . 1 61 61 LEU N N 15 119.455 0.00 . . . . . . . 61 LEU N . 50337 1 806 . 1 . 1 62 62 SER H H 1 8.848 0.00 . . . . . . . 62 SER H . 50337 1 807 . 1 . 1 62 62 SER HA H 1 4.051 0.00 . . . . . . . 62 SER HA . 50337 1 808 . 1 . 1 62 62 SER HB2 H 1 4.030 0.00 . . . . . . . 62 SER HB . 50337 1 809 . 1 . 1 62 62 SER HB3 H 1 4.030 0.00 . . . . . . . 62 SER HB . 50337 1 810 . 1 . 1 62 62 SER C C 13 178.143 0.00 . . . . . . . 62 SER C . 50337 1 811 . 1 . 1 62 62 SER CA C 13 61.666 0.00 . . . . . . . 62 SER CA . 50337 1 812 . 1 . 1 62 62 SER CB C 13 62.701 0.00 . . . . . . . 62 SER CB . 50337 1 813 . 1 . 1 62 62 SER N N 15 117.383 0.00 . . . . . . . 62 SER N . 50337 1 814 . 1 . 1 63 63 MET H H 1 7.493 0.00 . . . . . . . 63 MET H . 50337 1 815 . 1 . 1 63 63 MET HA H 1 4.341 0.00 . . . . . . . 63 MET HA . 50337 1 816 . 1 . 1 63 63 MET HB2 H 1 2.277 0.00 . . . . . . . 63 MET HB . 50337 1 817 . 1 . 1 63 63 MET HB3 H 1 2.277 0.00 . . . . . . . 63 MET HB . 50337 1 818 . 1 . 1 63 63 MET HG2 H 1 2.797 0.00 . . . . . . . 63 MET HG2 . 50337 1 819 . 1 . 1 63 63 MET HG3 H 1 2.676 0.00 . . . . . . . 63 MET HG3 . 50337 1 820 . 1 . 1 63 63 MET HE1 H 1 2.138 0.00 . . . . . . . 63 MET HE . 50337 1 821 . 1 . 1 63 63 MET HE2 H 1 2.138 0.00 . . . . . . . 63 MET HE . 50337 1 822 . 1 . 1 63 63 MET HE3 H 1 2.138 0.00 . . . . . . . 63 MET HE . 50337 1 823 . 1 . 1 63 63 MET C C 13 177.325 0.00 . . . . . . . 63 MET C . 50337 1 824 . 1 . 1 63 63 MET CA C 13 57.416 0.00 . . . . . . . 63 MET CA . 50337 1 825 . 1 . 1 63 63 MET CB C 13 31.525 0.00 . . . . . . . 63 MET CB . 50337 1 826 . 1 . 1 63 63 MET CG C 13 31.787 0.00 . . . . . . . 63 MET CG . 50337 1 827 . 1 . 1 63 63 MET CE C 13 17.779 0.00 . . . . . . . 63 MET CE . 50337 1 828 . 1 . 1 63 63 MET N N 15 120.339 0.00 . . . . . . . 63 MET N . 50337 1 829 . 1 . 1 64 64 GLN H H 1 7.511 0.00 . . . . . . . 64 GLN H . 50337 1 830 . 1 . 1 64 64 GLN HA H 1 4.339 0.00 . . . . . . . 64 GLN HA . 50337 1 831 . 1 . 1 64 64 GLN HB2 H 1 2.543 0.00 . . . . . . . 64 GLN HB2 . 50337 1 832 . 1 . 1 64 64 GLN HB3 H 1 2.074 0.00 . . . . . . . 64 GLN HB3 . 50337 1 833 . 1 . 1 64 64 GLN HG2 H 1 2.712 0.00 . . . . . . . 64 GLN HG2 . 50337 1 834 . 1 . 1 64 64 GLN HG3 H 1 2.124 0.00 . . . . . . . 64 GLN HG3 . 50337 1 835 . 1 . 1 64 64 GLN HE21 H 1 7.569 0.00 . . . . . . . 64 GLN HE21 . 50337 1 836 . 1 . 1 64 64 GLN HE22 H 1 7.016 0.00 . . . . . . . 64 GLN HE22 . 50337 1 837 . 1 . 1 64 64 GLN C C 13 175.178 0.00 . . . . . . . 64 GLN C . 50337 1 838 . 1 . 1 64 64 GLN CA C 13 55.122 0.00 . . . . . . . 64 GLN CA . 50337 1 839 . 1 . 1 64 64 GLN CB C 13 28.648 0.00 . . . . . . . 64 GLN CB . 50337 1 840 . 1 . 1 64 64 GLN CG C 13 33.841 0.01 . . . . . . . 64 GLN CG . 50337 1 841 . 1 . 1 64 64 GLN N N 15 115.775 0.00 . . . . . . . 64 GLN N . 50337 1 842 . 1 . 1 64 64 GLN NE2 N 15 112.742 0.00 . . . . . . . 64 GLN NE2 . 50337 1 843 . 1 . 1 65 65 GLY H H 1 7.613 0.00 . . . . . . . 65 GLY H . 50337 1 844 . 1 . 1 65 65 GLY HA2 H 1 4.525 0.00 . . . . . . . 65 GLY HA2 . 50337 1 845 . 1 . 1 65 65 GLY HA3 H 1 3.742 0.00 . . . . . . . 65 GLY HA3 . 50337 1 846 . 1 . 1 65 65 GLY C C 13 174.596 0.00 . . . . . . . 65 GLY C . 50337 1 847 . 1 . 1 65 65 GLY CA C 13 44.614 0.00 . . . . . . . 65 GLY CA . 50337 1 848 . 1 . 1 65 65 GLY N N 15 104.409 0.00 . . . . . . . 65 GLY N . 50337 1 849 . 1 . 1 66 66 ALA H H 1 7.696 0.00 . . . . . . . 66 ALA H . 50337 1 850 . 1 . 1 66 66 ALA HA H 1 5.012 0.00 . . . . . . . 66 ALA HA . 50337 1 851 . 1 . 1 66 66 ALA HB1 H 1 1.191 0.00 . . . . . . . 66 ALA HB . 50337 1 852 . 1 . 1 66 66 ALA HB2 H 1 1.191 0.00 . . . . . . . 66 ALA HB . 50337 1 853 . 1 . 1 66 66 ALA HB3 H 1 1.191 0.00 . . . . . . . 66 ALA HB . 50337 1 854 . 1 . 1 66 66 ALA C C 13 176.611 0.00 . . . . . . . 66 ALA C . 50337 1 855 . 1 . 1 66 66 ALA CA C 13 50.277 0.00 . . . . . . . 66 ALA CA . 50337 1 856 . 1 . 1 66 66 ALA CB C 13 16.863 0.00 . . . . . . . 66 ALA CB . 50337 1 857 . 1 . 1 66 66 ALA N N 15 123.953 0.00 . . . . . . . 66 ALA N . 50337 1 858 . 1 . 1 67 67 VAL H H 1 7.727 0.00 . . . . . . . 67 VAL H . 50337 1 859 . 1 . 1 67 67 VAL HA H 1 3.979 0.00 . . . . . . . 67 VAL HA . 50337 1 860 . 1 . 1 67 67 VAL HB H 1 2.121 0.00 . . . . . . . 67 VAL HB . 50337 1 861 . 1 . 1 67 67 VAL HG11 H 1 0.984 0.00 . . . . . . . 67 VAL HG1 . 50337 1 862 . 1 . 1 67 67 VAL HG12 H 1 0.984 0.00 . . . . . . . 67 VAL HG1 . 50337 1 863 . 1 . 1 67 67 VAL HG13 H 1 0.984 0.00 . . . . . . . 67 VAL HG1 . 50337 1 864 . 1 . 1 67 67 VAL HG21 H 1 0.950 0.00 . . . . . . . 67 VAL HG2 . 50337 1 865 . 1 . 1 67 67 VAL HG22 H 1 0.950 0.00 . . . . . . . 67 VAL HG2 . 50337 1 866 . 1 . 1 67 67 VAL HG23 H 1 0.950 0.00 . . . . . . . 67 VAL HG2 . 50337 1 867 . 1 . 1 67 67 VAL CA C 13 64.135 0.00 . . . . . . . 67 VAL CA . 50337 1 868 . 1 . 1 67 67 VAL CB C 13 32.024 0.00 . . . . . . . 67 VAL CB . 50337 1 869 . 1 . 1 67 67 VAL CG1 C 13 21.578 0.00 . . . . . . . 67 VAL CG1 . 50337 1 870 . 1 . 1 67 67 VAL CG2 C 13 20.260 0.00 . . . . . . . 67 VAL CG2 . 50337 1 871 . 1 . 1 67 67 VAL N N 15 120.981 0.01 . . . . . . . 67 VAL N . 50337 1 872 . 1 . 1 68 68 ASP HA H 1 5.057 0.00 . . . . . . . 68 ASP HA . 50337 1 873 . 1 . 1 68 68 ASP HB2 H 1 2.967 0.00 . . . . . . . 68 ASP HB2 . 50337 1 874 . 1 . 1 68 68 ASP HB3 H 1 2.432 0.00 . . . . . . . 68 ASP HB3 . 50337 1 875 . 1 . 1 68 68 ASP C C 13 176.673 0.00 . . . . . . . 68 ASP C . 50337 1 876 . 1 . 1 68 68 ASP CA C 13 55.224 0.00 . . . . . . . 68 ASP CA . 50337 1 877 . 1 . 1 68 68 ASP CB C 13 40.886 0.00 . . . . . . . 68 ASP CB . 50337 1 878 . 1 . 1 69 69 ILE H H 1 7.875 0.00 . . . . . . . 69 ILE H . 50337 1 879 . 1 . 1 69 69 ILE HA H 1 4.006 0.00 . . . . . . . 69 ILE HA . 50337 1 880 . 1 . 1 69 69 ILE HB H 1 1.999 0.00 . . . . . . . 69 ILE HB . 50337 1 881 . 1 . 1 69 69 ILE HG12 H 1 1.424 0.00 . . . . . . . 69 ILE HG1 . 50337 1 882 . 1 . 1 69 69 ILE HG13 H 1 1.424 0.00 . . . . . . . 69 ILE HG1 . 50337 1 883 . 1 . 1 69 69 ILE HG21 H 1 1.134 0.00 . . . . . . . 69 ILE HG2 . 50337 1 884 . 1 . 1 69 69 ILE HG22 H 1 1.134 0.00 . . . . . . . 69 ILE HG2 . 50337 1 885 . 1 . 1 69 69 ILE HG23 H 1 1.134 0.00 . . . . . . . 69 ILE HG2 . 50337 1 886 . 1 . 1 69 69 ILE HD11 H 1 0.840 0.00 . . . . . . . 69 ILE HD1 . 50337 1 887 . 1 . 1 69 69 ILE HD12 H 1 0.840 0.00 . . . . . . . 69 ILE HD1 . 50337 1 888 . 1 . 1 69 69 ILE HD13 H 1 0.840 0.00 . . . . . . . 69 ILE HD1 . 50337 1 889 . 1 . 1 69 69 ILE C C 13 175.941 0.00 . . . . . . . 69 ILE C . 50337 1 890 . 1 . 1 69 69 ILE CA C 13 61.129 0.00 . . . . . . . 69 ILE CA . 50337 1 891 . 1 . 1 69 69 ILE CB C 13 38.589 0.00 . . . . . . . 69 ILE CB . 50337 1 892 . 1 . 1 69 69 ILE CG1 C 13 28.960 0.00 . . . . . . . 69 ILE CG1 . 50337 1 893 . 1 . 1 69 69 ILE CG2 C 13 20.091 0.00 . . . . . . . 69 ILE CG2 . 50337 1 894 . 1 . 1 69 69 ILE CD1 C 13 14.861 0.00 . . . . . . . 69 ILE CD1 . 50337 1 895 . 1 . 1 69 69 ILE N N 15 120.176 0.00 . . . . . . . 69 ILE N . 50337 1 896 . 1 . 1 70 70 ASN H H 1 8.249 0.00 . . . . . . . 70 ASN H . 50337 1 897 . 1 . 1 70 70 ASN HA H 1 4.491 0.00 . . . . . . . 70 ASN HA . 50337 1 898 . 1 . 1 70 70 ASN HB2 H 1 2.844 0.00 . . . . . . . 70 ASN HB . 50337 1 899 . 1 . 1 70 70 ASN HB3 H 1 2.844 0.00 . . . . . . . 70 ASN HB . 50337 1 900 . 1 . 1 70 70 ASN HD21 H 1 7.685 0.00 . . . . . . . 70 ASN HD21 . 50337 1 901 . 1 . 1 70 70 ASN HD22 H 1 6.854 0.00 . . . . . . . 70 ASN HD22 . 50337 1 902 . 1 . 1 70 70 ASN C C 13 177.543 0.00 . . . . . . . 70 ASN C . 50337 1 903 . 1 . 1 70 70 ASN CA C 13 56.926 0.00 . . . . . . . 70 ASN CA . 50337 1 904 . 1 . 1 70 70 ASN CB C 13 37.317 0.00 . . . . . . . 70 ASN CB . 50337 1 905 . 1 . 1 70 70 ASN N N 15 121.725 0.00 . . . . . . . 70 ASN N . 50337 1 906 . 1 . 1 70 70 ASN ND2 N 15 112.549 0.00 . . . . . . . 70 ASN ND2 . 50337 1 907 . 1 . 1 71 71 LYS H H 1 7.663 0.00 . . . . . . . 71 LYS H . 50337 1 908 . 1 . 1 71 71 LYS HA H 1 4.074 0.00 . . . . . . . 71 LYS HA . 50337 1 909 . 1 . 1 71 71 LYS HB2 H 1 1.874 0.00 . . . . . . . 71 LYS HB . 50337 1 910 . 1 . 1 71 71 LYS HB3 H 1 1.874 0.00 . . . . . . . 71 LYS HB . 50337 1 911 . 1 . 1 71 71 LYS HG2 H 1 1.544 0.00 . . . . . . . 71 LYS HG2 . 50337 1 912 . 1 . 1 71 71 LYS HG3 H 1 1.432 0.00 . . . . . . . 71 LYS HG3 . 50337 1 913 . 1 . 1 71 71 LYS HD2 H 1 1.679 0.00 . . . . . . . 71 LYS HD . 50337 1 914 . 1 . 1 71 71 LYS HD3 H 1 1.679 0.00 . . . . . . . 71 LYS HD . 50337 1 915 . 1 . 1 71 71 LYS HE2 H 1 2.974 0.00 . . . . . . . 71 LYS HE . 50337 1 916 . 1 . 1 71 71 LYS HE3 H 1 2.974 0.00 . . . . . . . 71 LYS HE . 50337 1 917 . 1 . 1 71 71 LYS C C 13 179.008 0.00 . . . . . . . 71 LYS C . 50337 1 918 . 1 . 1 71 71 LYS CA C 13 58.730 0.00 . . . . . . . 71 LYS CA . 50337 1 919 . 1 . 1 71 71 LYS CB C 13 32.185 0.00 . . . . . . . 71 LYS CB . 50337 1 920 . 1 . 1 71 71 LYS CG C 13 25.103 0.00 . . . . . . . 71 LYS CG . 50337 1 921 . 1 . 1 71 71 LYS CD C 13 29.248 0.00 . . . . . . . 71 LYS CD . 50337 1 922 . 1 . 1 71 71 LYS CE C 13 42.048 0.00 . . . . . . . 71 LYS CE . 50337 1 923 . 1 . 1 71 71 LYS N N 15 120.834 0.00 . . . . . . . 71 LYS N . 50337 1 924 . 1 . 1 72 72 LEU H H 1 7.789 0.00 . . . . . . . 72 LEU H . 50337 1 925 . 1 . 1 72 72 LEU HA H 1 4.025 0.00 . . . . . . . 72 LEU HA . 50337 1 926 . 1 . 1 72 72 LEU HB2 H 1 2.215 0.00 . . . . . . . 72 LEU HB2 . 50337 1 927 . 1 . 1 72 72 LEU HB3 H 1 1.323 0.00 . . . . . . . 72 LEU HB3 . 50337 1 928 . 1 . 1 72 72 LEU HG H 1 1.652 0.00 . . . . . . . 72 LEU HG . 50337 1 929 . 1 . 1 72 72 LEU HD11 H 1 0.799 0.00 . . . . . . . 72 LEU HD1 . 50337 1 930 . 1 . 1 72 72 LEU HD12 H 1 0.799 0.00 . . . . . . . 72 LEU HD1 . 50337 1 931 . 1 . 1 72 72 LEU HD13 H 1 0.799 0.00 . . . . . . . 72 LEU HD1 . 50337 1 932 . 1 . 1 72 72 LEU HD21 H 1 0.868 0.00 . . . . . . . 72 LEU HD2 . 50337 1 933 . 1 . 1 72 72 LEU HD22 H 1 0.868 0.00 . . . . . . . 72 LEU HD2 . 50337 1 934 . 1 . 1 72 72 LEU HD23 H 1 0.868 0.00 . . . . . . . 72 LEU HD2 . 50337 1 935 . 1 . 1 72 72 LEU C C 13 178.119 0.00 . . . . . . . 72 LEU C . 50337 1 936 . 1 . 1 72 72 LEU CA C 13 57.920 0.00 . . . . . . . 72 LEU CA . 50337 1 937 . 1 . 1 72 72 LEU CB C 13 41.374 0.02 . . . . . . . 72 LEU CB . 50337 1 938 . 1 . 1 72 72 LEU CG C 13 27.383 0.00 . . . . . . . 72 LEU CG . 50337 1 939 . 1 . 1 72 72 LEU CD1 C 13 25.968 0.00 . . . . . . . 72 LEU CD1 . 50337 1 940 . 1 . 1 72 72 LEU CD2 C 13 23.454 0.00 . . . . . . . 72 LEU CD2 . 50337 1 941 . 1 . 1 72 72 LEU N N 15 120.468 0.00 . . . . . . . 72 LEU N . 50337 1 942 . 1 . 1 73 73 CYS H H 1 8.078 0.00 . . . . . . . 73 CYS H . 50337 1 943 . 1 . 1 73 73 CYS HA H 1 3.993 0.00 . . . . . . . 73 CYS HA . 50337 1 944 . 1 . 1 73 73 CYS HB2 H 1 3.160 0.00 . . . . . . . 73 CYS HB2 . 50337 1 945 . 1 . 1 73 73 CYS HB3 H 1 2.796 0.00 . . . . . . . 73 CYS HB3 . 50337 1 946 . 1 . 1 73 73 CYS C C 13 176.351 0.00 . . . . . . . 73 CYS C . 50337 1 947 . 1 . 1 73 73 CYS CA C 13 64.643 0.00 . . . . . . . 73 CYS CA . 50337 1 948 . 1 . 1 73 73 CYS CB C 13 26.646 0.00 . . . . . . . 73 CYS CB . 50337 1 949 . 1 . 1 73 73 CYS N N 15 117.459 0.00 . . . . . . . 73 CYS N . 50337 1 950 . 1 . 1 74 74 GLU H H 1 8.099 0.00 . . . . . . . 74 GLU H . 50337 1 951 . 1 . 1 74 74 GLU HA H 1 3.941 0.00 . . . . . . . 74 GLU HA . 50337 1 952 . 1 . 1 74 74 GLU HB2 H 1 2.067 0.00 . . . . . . . 74 GLU HB . 50337 1 953 . 1 . 1 74 74 GLU HB3 H 1 2.067 0.00 . . . . . . . 74 GLU HB . 50337 1 954 . 1 . 1 74 74 GLU HG2 H 1 2.415 0.00 . . . . . . . 74 GLU HG2 . 50337 1 955 . 1 . 1 74 74 GLU HG3 H 1 2.226 0.00 . . . . . . . 74 GLU HG3 . 50337 1 956 . 1 . 1 74 74 GLU C C 13 178.517 0.00 . . . . . . . 74 GLU C . 50337 1 957 . 1 . 1 74 74 GLU CA C 13 59.496 0.00 . . . . . . . 74 GLU CA . 50337 1 958 . 1 . 1 74 74 GLU CB C 13 29.767 0.00 . . . . . . . 74 GLU CB . 50337 1 959 . 1 . 1 74 74 GLU CG C 13 36.453 0.00 . . . . . . . 74 GLU CG . 50337 1 960 . 1 . 1 74 74 GLU N N 15 118.479 0.00 . . . . . . . 74 GLU N . 50337 1 961 . 1 . 1 75 75 GLU H H 1 8.054 0.00 . . . . . . . 75 GLU H . 50337 1 962 . 1 . 1 75 75 GLU HA H 1 4.062 0.00 . . . . . . . 75 GLU HA . 50337 1 963 . 1 . 1 75 75 GLU HB2 H 1 2.305 0.00 . . . . . . . 75 GLU HB2 . 50337 1 964 . 1 . 1 75 75 GLU HB3 H 1 2.185 0.00 . . . . . . . 75 GLU HB3 . 50337 1 965 . 1 . 1 75 75 GLU HG2 H 1 2.347 0.00 . . . . . . . 75 GLU HG2 . 50337 1 966 . 1 . 1 75 75 GLU HG3 H 1 2.210 0.00 . . . . . . . 75 GLU HG3 . 50337 1 967 . 1 . 1 75 75 GLU C C 13 178.849 0.00 . . . . . . . 75 GLU C . 50337 1 968 . 1 . 1 75 75 GLU CA C 13 59.421 0.00 . . . . . . . 75 GLU CA . 50337 1 969 . 1 . 1 75 75 GLU CB C 13 30.213 0.00 . . . . . . . 75 GLU CB . 50337 1 970 . 1 . 1 75 75 GLU CG C 13 36.983 0.01 . . . . . . . 75 GLU CG . 50337 1 971 . 1 . 1 75 75 GLU N N 15 119.277 0.00 . . . . . . . 75 GLU N . 50337 1 972 . 1 . 1 76 76 MET H H 1 8.094 0.00 . . . . . . . 76 MET H . 50337 1 973 . 1 . 1 76 76 MET HA H 1 4.045 0.00 . . . . . . . 76 MET HA . 50337 1 974 . 1 . 1 76 76 MET HB2 H 1 2.205 0.00 . . . . . . . 76 MET HB2 . 50337 1 975 . 1 . 1 76 76 MET HB3 H 1 1.899 0.00 . . . . . . . 76 MET HB3 . 50337 1 976 . 1 . 1 76 76 MET HG2 H 1 2.991 0.00 . . . . . . . 76 MET HG2 . 50337 1 977 . 1 . 1 76 76 MET HG3 H 1 2.322 0.01 . . . . . . . 76 MET HG3 . 50337 1 978 . 1 . 1 76 76 MET HE1 H 1 1.919 0.00 . . . . . . . 76 MET HE . 50337 1 979 . 1 . 1 76 76 MET HE2 H 1 1.919 0.00 . . . . . . . 76 MET HE . 50337 1 980 . 1 . 1 76 76 MET HE3 H 1 1.919 0.00 . . . . . . . 76 MET HE . 50337 1 981 . 1 . 1 76 76 MET C C 13 177.244 0.00 . . . . . . . 76 MET C . 50337 1 982 . 1 . 1 76 76 MET CA C 13 59.227 0.00 . . . . . . . 76 MET CA . 50337 1 983 . 1 . 1 76 76 MET CB C 13 33.596 0.03 . . . . . . . 76 MET CB . 50337 1 984 . 1 . 1 76 76 MET CG C 13 32.204 0.00 . . . . . . . 76 MET CG . 50337 1 985 . 1 . 1 76 76 MET CE C 13 17.031 0.01 . . . . . . . 76 MET CE . 50337 1 986 . 1 . 1 76 76 MET N N 15 116.513 0.00 . . . . . . . 76 MET N . 50337 1 987 . 1 . 1 77 77 LEU H H 1 7.696 0.00 . . . . . . . 77 LEU H . 50337 1 988 . 1 . 1 77 77 LEU HA H 1 4.072 0.00 . . . . . . . 77 LEU HA . 50337 1 989 . 1 . 1 77 77 LEU HB2 H 1 1.799 0.00 . . . . . . . 77 LEU HB2 . 50337 1 990 . 1 . 1 77 77 LEU HB3 H 1 1.484 0.00 . . . . . . . 77 LEU HB3 . 50337 1 991 . 1 . 1 77 77 LEU HG H 1 1.654 0.00 . . . . . . . 77 LEU HG . 50337 1 992 . 1 . 1 77 77 LEU HD11 H 1 0.846 0.00 . . . . . . . 77 LEU HD1 . 50337 1 993 . 1 . 1 77 77 LEU HD12 H 1 0.846 0.00 . . . . . . . 77 LEU HD1 . 50337 1 994 . 1 . 1 77 77 LEU HD13 H 1 0.846 0.00 . . . . . . . 77 LEU HD1 . 50337 1 995 . 1 . 1 77 77 LEU HD21 H 1 0.600 0.00 . . . . . . . 77 LEU HD2 . 50337 1 996 . 1 . 1 77 77 LEU HD22 H 1 0.600 0.00 . . . . . . . 77 LEU HD2 . 50337 1 997 . 1 . 1 77 77 LEU HD23 H 1 0.600 0.00 . . . . . . . 77 LEU HD2 . 50337 1 998 . 1 . 1 77 77 LEU C C 13 178.939 0.00 . . . . . . . 77 LEU C . 50337 1 999 . 1 . 1 77 77 LEU CA C 13 56.396 0.00 . . . . . . . 77 LEU CA . 50337 1 1000 . 1 . 1 77 77 LEU CB C 13 41.746 0.00 . . . . . . . 77 LEU CB . 50337 1 1001 . 1 . 1 77 77 LEU CG C 13 27.009 0.00 . . . . . . . 77 LEU CG . 50337 1 1002 . 1 . 1 77 77 LEU CD1 C 13 25.474 0.00 . . . . . . . 77 LEU CD1 . 50337 1 1003 . 1 . 1 77 77 LEU CD2 C 13 22.613 0.00 . . . . . . . 77 LEU CD2 . 50337 1 1004 . 1 . 1 77 77 LEU N N 15 116.693 0.00 . . . . . . . 77 LEU N . 50337 1 1005 . 1 . 1 78 78 ASP H H 1 8.085 0.00 . . . . . . . 78 ASP H . 50337 1 1006 . 1 . 1 78 78 ASP HA H 1 4.500 0.00 . . . . . . . 78 ASP HA . 50337 1 1007 . 1 . 1 78 78 ASP HB2 H 1 2.724 0.00 . . . . . . . 78 ASP HB . 50337 1 1008 . 1 . 1 78 78 ASP HB3 H 1 2.724 0.00 . . . . . . . 78 ASP HB . 50337 1 1009 . 1 . 1 78 78 ASP C C 13 177.475 0.00 . . . . . . . 78 ASP C . 50337 1 1010 . 1 . 1 78 78 ASP CA C 13 56.253 0.00 . . . . . . . 78 ASP CA . 50337 1 1011 . 1 . 1 78 78 ASP CB C 13 40.912 0.00 . . . . . . . 78 ASP CB . 50337 1 1012 . 1 . 1 78 78 ASP N N 15 120.740 0.00 . . . . . . . 78 ASP N . 50337 1 1013 . 1 . 1 79 79 ASN H H 1 8.313 0.00 . . . . . . . 79 ASN H . 50337 1 1014 . 1 . 1 79 79 ASN HA H 1 4.627 0.00 . . . . . . . 79 ASN HA . 50337 1 1015 . 1 . 1 79 79 ASN HB2 H 1 2.830 0.00 . . . . . . . 79 ASN HB . 50337 1 1016 . 1 . 1 79 79 ASN HB3 H 1 2.830 0.00 . . . . . . . 79 ASN HB . 50337 1 1017 . 1 . 1 79 79 ASN HD21 H 1 7.645 0.00 . . . . . . . 79 ASN HD21 . 50337 1 1018 . 1 . 1 79 79 ASN HD22 H 1 6.987 0.00 . . . . . . . 79 ASN HD22 . 50337 1 1019 . 1 . 1 79 79 ASN C C 13 176.145 0.00 . . . . . . . 79 ASN C . 50337 1 1020 . 1 . 1 79 79 ASN CA C 13 54.332 0.00 . . . . . . . 79 ASN CA . 50337 1 1021 . 1 . 1 79 79 ASN CB C 13 38.756 0.00 . . . . . . . 79 ASN CB . 50337 1 1022 . 1 . 1 79 79 ASN N N 15 117.534 0.00 . . . . . . . 79 ASN N . 50337 1 1023 . 1 . 1 79 79 ASN ND2 N 15 112.751 0.00 . . . . . . . 79 ASN ND2 . 50337 1 1024 . 1 . 1 80 80 ARG H H 1 7.848 0.00 . . . . . . . 80 ARG H . 50337 1 1025 . 1 . 1 80 80 ARG HA H 1 4.208 0.00 . . . . . . . 80 ARG HA . 50337 1 1026 . 1 . 1 80 80 ARG HB2 H 1 1.874 0.00 . . . . . . . 80 ARG HB2 . 50337 1 1027 . 1 . 1 80 80 ARG HB3 H 1 1.798 0.00 . . . . . . . 80 ARG HB3 . 50337 1 1028 . 1 . 1 80 80 ARG HG2 H 1 1.707 0.00 . . . . . . . 80 ARG HG . 50337 1 1029 . 1 . 1 80 80 ARG HG3 H 1 1.707 0.00 . . . . . . . 80 ARG HG . 50337 1 1030 . 1 . 1 80 80 ARG HD2 H 1 3.166 0.00 . . . . . . . 80 ARG HD2 . 50337 1 1031 . 1 . 1 80 80 ARG HD3 H 1 3.000 0.00 . . . . . . . 80 ARG HD3 . 50337 1 1032 . 1 . 1 80 80 ARG HE H 1 7.469 0.00 . . . . . . . 80 ARG HE . 50337 1 1033 . 1 . 1 80 80 ARG C C 13 176.803 0.00 . . . . . . . 80 ARG C . 50337 1 1034 . 1 . 1 80 80 ARG CA C 13 57.265 0.00 . . . . . . . 80 ARG CA . 50337 1 1035 . 1 . 1 80 80 ARG CB C 13 30.277 0.00 . . . . . . . 80 ARG CB . 50337 1 1036 . 1 . 1 80 80 ARG CG C 13 27.068 0.00 . . . . . . . 80 ARG CG . 50337 1 1037 . 1 . 1 80 80 ARG CD C 13 43.033 0.00 . . . . . . . 80 ARG CD . 50337 1 1038 . 1 . 1 80 80 ARG N N 15 119.233 0.00 . . . . . . . 80 ARG N . 50337 1 1039 . 1 . 1 80 80 ARG NE N 15 83.365 0.00 . . . . . . . 80 ARG NE . 50337 1 1040 . 1 . 1 81 81 ALA H H 1 8.054 0.00 . . . . . . . 81 ALA H . 50337 1 1041 . 1 . 1 81 81 ALA HA H 1 4.321 0.00 . . . . . . . 81 ALA HA . 50337 1 1042 . 1 . 1 81 81 ALA HB1 H 1 1.470 0.00 . . . . . . . 81 ALA HB . 50337 1 1043 . 1 . 1 81 81 ALA HB2 H 1 1.470 0.00 . . . . . . . 81 ALA HB . 50337 1 1044 . 1 . 1 81 81 ALA HB3 H 1 1.470 0.00 . . . . . . . 81 ALA HB . 50337 1 1045 . 1 . 1 81 81 ALA C C 13 178.236 0.00 . . . . . . . 81 ALA C . 50337 1 1046 . 1 . 1 81 81 ALA CA C 13 53.311 0.00 . . . . . . . 81 ALA CA . 50337 1 1047 . 1 . 1 81 81 ALA CB C 13 19.088 0.00 . . . . . . . 81 ALA CB . 50337 1 1048 . 1 . 1 81 81 ALA N N 15 123.017 0.00 . . . . . . . 81 ALA N . 50337 1 1049 . 1 . 1 82 82 THR H H 1 7.979 0.00 . . . . . . . 82 THR H . 50337 1 1050 . 1 . 1 82 82 THR HA H 1 4.330 0.00 . . . . . . . 82 THR HA . 50337 1 1051 . 1 . 1 82 82 THR HB H 1 4.274 0.00 . . . . . . . 82 THR HB . 50337 1 1052 . 1 . 1 82 82 THR HG21 H 1 1.243 0.00 . . . . . . . 82 THR HG2 . 50337 1 1053 . 1 . 1 82 82 THR HG22 H 1 1.243 0.00 . . . . . . . 82 THR HG2 . 50337 1 1054 . 1 . 1 82 82 THR HG23 H 1 1.243 0.00 . . . . . . . 82 THR HG2 . 50337 1 1055 . 1 . 1 82 82 THR C C 13 174.643 0.00 . . . . . . . 82 THR C . 50337 1 1056 . 1 . 1 82 82 THR CA C 13 62.204 0.00 . . . . . . . 82 THR CA . 50337 1 1057 . 1 . 1 82 82 THR CB C 13 69.817 0.00 . . . . . . . 82 THR CB . 50337 1 1058 . 1 . 1 82 82 THR CG2 C 13 21.737 0.00 . . . . . . . 82 THR CG2 . 50337 1 1059 . 1 . 1 82 82 THR N N 15 111.867 0.00 . . . . . . . 82 THR N . 50337 1 1060 . 1 . 1 83 83 LEU H H 1 8.031 0.00 . . . . . . . 83 LEU H . 50337 1 1061 . 1 . 1 83 83 LEU HA H 1 4.388 0.00 . . . . . . . 83 LEU HA . 50337 1 1062 . 1 . 1 83 83 LEU HB2 H 1 1.696 0.00 . . . . . . . 83 LEU HB2 . 50337 1 1063 . 1 . 1 83 83 LEU HB3 H 1 1.632 0.00 . . . . . . . 83 LEU HB3 . 50337 1 1064 . 1 . 1 83 83 LEU HG H 1 1.670 0.00 . . . . . . . 83 LEU HG . 50337 1 1065 . 1 . 1 83 83 LEU HD11 H 1 0.913 0.00 . . . . . . . 83 LEU HD1 . 50337 1 1066 . 1 . 1 83 83 LEU HD12 H 1 0.913 0.00 . . . . . . . 83 LEU HD1 . 50337 1 1067 . 1 . 1 83 83 LEU HD13 H 1 0.913 0.00 . . . . . . . 83 LEU HD1 . 50337 1 1068 . 1 . 1 83 83 LEU HD21 H 1 0.866 0.00 . . . . . . . 83 LEU HD2 . 50337 1 1069 . 1 . 1 83 83 LEU HD22 H 1 0.866 0.00 . . . . . . . 83 LEU HD2 . 50337 1 1070 . 1 . 1 83 83 LEU HD23 H 1 0.866 0.00 . . . . . . . 83 LEU HD2 . 50337 1 1071 . 1 . 1 83 83 LEU C C 13 176.438 0.00 . . . . . . . 83 LEU C . 50337 1 1072 . 1 . 1 83 83 LEU CA C 13 55.350 0.00 . . . . . . . 83 LEU CA . 50337 1 1073 . 1 . 1 83 83 LEU CB C 13 42.351 0.00 . . . . . . . 83 LEU CB . 50337 1 1074 . 1 . 1 83 83 LEU CG C 13 26.833 0.00 . . . . . . . 83 LEU CG . 50337 1 1075 . 1 . 1 83 83 LEU CD1 C 13 25.264 0.00 . . . . . . . 83 LEU CD1 . 50337 1 1076 . 1 . 1 83 83 LEU CD2 C 13 23.392 0.00 . . . . . . . 83 LEU CD2 . 50337 1 1077 . 1 . 1 83 83 LEU N N 15 124.395 0.00 . . . . . . . 83 LEU N . 50337 1 1078 . 1 . 1 84 84 GLN H H 1 7.826 0.00 . . . . . . . 84 GLN H . 50337 1 1079 . 1 . 1 84 84 GLN HA H 1 4.165 0.00 . . . . . . . 84 GLN HA . 50337 1 1080 . 1 . 1 84 84 GLN HB2 H 1 2.137 0.00 . . . . . . . 84 GLN HB2 . 50337 1 1081 . 1 . 1 84 84 GLN HB3 H 1 1.942 0.00 . . . . . . . 84 GLN HB3 . 50337 1 1082 . 1 . 1 84 84 GLN HG2 H 1 2.325 0.00 . . . . . . . 84 GLN HG . 50337 1 1083 . 1 . 1 84 84 GLN HG3 H 1 2.325 0.00 . . . . . . . 84 GLN HG . 50337 1 1084 . 1 . 1 84 84 GLN HE21 H 1 7.521 0.00 . . . . . . . 84 GLN HE21 . 50337 1 1085 . 1 . 1 84 84 GLN HE22 H 1 6.816 0.00 . . . . . . . 84 GLN HE22 . 50337 1 1086 . 1 . 1 84 84 GLN CA C 13 57.346 0.00 . . . . . . . 84 GLN CA . 50337 1 1087 . 1 . 1 84 84 GLN CB C 13 30.477 0.00 . . . . . . . 84 GLN CB . 50337 1 1088 . 1 . 1 84 84 GLN CG C 13 34.305 0.00 . . . . . . . 84 GLN CG . 50337 1 1089 . 1 . 1 84 84 GLN N N 15 125.569 0.00 . . . . . . . 84 GLN N . 50337 1 1090 . 1 . 1 84 84 GLN NE2 N 15 112.454 0.00 . . . . . . . 84 GLN NE2 . 50337 1 stop_ save_