data_51377 ####################### # Entry information # ####################### save_entry_information_1 _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information_1 _Entry.ID 51377 _Entry.Title ; Backbone and side-chain chemical shift assignments for a rosetta-designed BDBV-MPER immunogen ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2022-03-22 _Entry.Accession_date 2022-03-22 _Entry.Last_release_date 2022-03-22 _Entry.Original_release_date 2022-03-22 _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 1 _Entry.Generated_software_label $software_1 _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 Kaitlyn Ledwitch . . . 0000-0003-3791-7392 51377 2 Clara Schoeder . . . 0000-0002-4664-961X 51377 3 Markus Voehler . . . 0000-0002-9509-6396 51377 4 Jens Meiler . . . 0000-0001-8945-193X 51377 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Center for Structural Biology, Vanderbilt University' . 51377 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 51377 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 296 51377 '15N chemical shifts' 80 51377 '1H chemical shifts' 476 51377 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 1 . . 2022-06-06 . original BMRB . 51377 stop_ save_ ############### # Citations # ############### save_citations_1 _Citation.Sf_category citations _Citation.Sf_framecode citations_1 _Citation.Entry_ID 51377 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 35584193 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Epitope-focused immunogen design based on the ebolavirus glycoprotein HR2-MPER region ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS Pathog.' _Citation.Journal_name_full 'PLoS pathogens' _Citation.Journal_volume 18 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1553-7374 _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 e1010518 _Citation.Page_last e1010518 _Citation.Year 2022 _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 Clara Schoeder . . . . 51377 1 2 Pavlo Gilchuk . . . . 51377 1 3 Amandeep Sangha . . . . 51377 1 4 Kaitlyn Ledwitch . . . . 51377 1 5 Delphine Malherbe . . . . 51377 1 6 Xuan Zhang . . . . 51377 1 7 Elad Binshtein . . . . 51377 1 8 Lauren Williamson . . . . 51377 1 9 Cristina Martina . . . . 51377 1 10 Jinhui Dong . . . . 51377 1 11 Erica Armstrong . . . . 51377 1 12 Rachel Sutton . . . . 51377 1 13 Rachel Nargi . . . . 51377 1 14 Jessica Rodriguez . . . . 51377 1 15 Natalia Kuzmina . . . . 51377 1 16 Brooke Fiala . . . . 51377 1 17 Neil King . . . . 51377 1 18 Alexander Bukreyev . . . . 51377 1 19 James Crowe . . . . 51377 1 20 Jens Meiler . . . . 51377 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly_1 _Assembly.Entry_ID 51377 _Assembly.ID 1 _Assembly.Name 'Rosetta-designed BDBV-MPER immunogen' _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 'Rosetta-designed BDBV-MPER immunogen' 1 $entity_1 . . yes native no no . . . 51377 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'designed protein' 51377 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 51377 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'Rosetta-designed BDBV-MPER immunogen' _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 ; MGSSHHHHHHSSGLVPRGSH MFSAVVSVGDWLQAIKMDRY KDNFTAAGYTTLEAVRNMTL DDLARIGITAITHQNKIQDS IDQIIHDFIDMHG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-21 represent a flexible purification tag and were not assigned' _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10406 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'designed protein' 51377 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 51377 1 2 . GLY . 51377 1 3 . SER . 51377 1 4 . SER . 51377 1 5 . HIS . 51377 1 6 . HIS . 51377 1 7 . HIS . 51377 1 8 . HIS . 51377 1 9 . HIS . 51377 1 10 . HIS . 51377 1 11 . SER . 51377 1 12 . SER . 51377 1 13 . GLY . 51377 1 14 . LEU . 51377 1 15 . VAL . 51377 1 16 . PRO . 51377 1 17 . ARG . 51377 1 18 . GLY . 51377 1 19 . SER . 51377 1 20 . HIS . 51377 1 21 . MET . 51377 1 22 . PHE . 51377 1 23 . SER . 51377 1 24 . ALA . 51377 1 25 . VAL . 51377 1 26 . VAL . 51377 1 27 . SER . 51377 1 28 . VAL . 51377 1 29 . GLY . 51377 1 30 . ASP . 51377 1 31 . TRP . 51377 1 32 . LEU . 51377 1 33 . GLN . 51377 1 34 . ALA . 51377 1 35 . ILE . 51377 1 36 . LYS . 51377 1 37 . MET . 51377 1 38 . ASP . 51377 1 39 . ARG . 51377 1 40 . TYR . 51377 1 41 . LYS . 51377 1 42 . ASP . 51377 1 43 . ASN . 51377 1 44 . PHE . 51377 1 45 . THR . 51377 1 46 . ALA . 51377 1 47 . ALA . 51377 1 48 . GLY . 51377 1 49 . TYR . 51377 1 50 . THR . 51377 1 51 . THR . 51377 1 52 . LEU . 51377 1 53 . GLU . 51377 1 54 . ALA . 51377 1 55 . VAL . 51377 1 56 . ARG . 51377 1 57 . ASN . 51377 1 58 . MET . 51377 1 59 . THR . 51377 1 60 . LEU . 51377 1 61 . ASP . 51377 1 62 . ASP . 51377 1 63 . LEU . 51377 1 64 . ALA . 51377 1 65 . ARG . 51377 1 66 . ILE . 51377 1 67 . GLY . 51377 1 68 . ILE . 51377 1 69 . THR . 51377 1 70 . ALA . 51377 1 71 . ILE . 51377 1 72 . THR . 51377 1 73 . HIS . 51377 1 74 . GLN . 51377 1 75 . ASN . 51377 1 76 . LYS . 51377 1 77 . ILE . 51377 1 78 . GLN . 51377 1 79 . ASP . 51377 1 80 . SER . 51377 1 81 . ILE . 51377 1 82 . ASP . 51377 1 83 . GLN . 51377 1 84 . ILE . 51377 1 85 . ILE . 51377 1 86 . HIS . 51377 1 87 . ASP . 51377 1 88 . PHE . 51377 1 89 . ILE . 51377 1 90 . ASP . 51377 1 91 . MET . 51377 1 92 . HIS . 51377 1 93 . GLY . 51377 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 51377 1 . GLY 2 2 51377 1 . SER 3 3 51377 1 . SER 4 4 51377 1 . HIS 5 5 51377 1 . HIS 6 6 51377 1 . HIS 7 7 51377 1 . HIS 8 8 51377 1 . HIS 9 9 51377 1 . HIS 10 10 51377 1 . SER 11 11 51377 1 . SER 12 12 51377 1 . GLY 13 13 51377 1 . LEU 14 14 51377 1 . VAL 15 15 51377 1 . PRO 16 16 51377 1 . ARG 17 17 51377 1 . GLY 18 18 51377 1 . SER 19 19 51377 1 . HIS 20 20 51377 1 . MET 21 21 51377 1 . PHE 22 22 51377 1 . SER 23 23 51377 1 . ALA 24 24 51377 1 . VAL 25 25 51377 1 . VAL 26 26 51377 1 . SER 27 27 51377 1 . VAL 28 28 51377 1 . GLY 29 29 51377 1 . ASP 30 30 51377 1 . TRP 31 31 51377 1 . LEU 32 32 51377 1 . GLN 33 33 51377 1 . ALA 34 34 51377 1 . ILE 35 35 51377 1 . LYS 36 36 51377 1 . MET 37 37 51377 1 . ASP 38 38 51377 1 . ARG 39 39 51377 1 . TYR 40 40 51377 1 . LYS 41 41 51377 1 . ASP 42 42 51377 1 . ASN 43 43 51377 1 . PHE 44 44 51377 1 . THR 45 45 51377 1 . ALA 46 46 51377 1 . ALA 47 47 51377 1 . GLY 48 48 51377 1 . TYR 49 49 51377 1 . THR 50 50 51377 1 . THR 51 51 51377 1 . LEU 52 52 51377 1 . GLU 53 53 51377 1 . ALA 54 54 51377 1 . VAL 55 55 51377 1 . ARG 56 56 51377 1 . ASN 57 57 51377 1 . MET 58 58 51377 1 . THR 59 59 51377 1 . LEU 60 60 51377 1 . ASP 61 61 51377 1 . ASP 62 62 51377 1 . LEU 63 63 51377 1 . ALA 64 64 51377 1 . ARG 65 65 51377 1 . ILE 66 66 51377 1 . GLY 67 67 51377 1 . ILE 68 68 51377 1 . THR 69 69 51377 1 . ALA 70 70 51377 1 . ILE 71 71 51377 1 . THR 72 72 51377 1 . HIS 73 73 51377 1 . GLN 74 74 51377 1 . ASN 75 75 51377 1 . LYS 76 76 51377 1 . ILE 77 77 51377 1 . GLN 78 78 51377 1 . ASP 79 79 51377 1 . SER 80 80 51377 1 . ILE 81 81 51377 1 . ASP 82 82 51377 1 . GLN 83 83 51377 1 . ILE 84 84 51377 1 . ILE 85 85 51377 1 . HIS 86 86 51377 1 . ASP 87 87 51377 1 . PHE 88 88 51377 1 . ILE 89 89 51377 1 . ASP 90 90 51377 1 . MET 91 91 51377 1 . HIS 92 92 51377 1 . GLY 93 93 51377 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 51377 _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 . . organism . 'designed protein' . . . . . designed protein . . . . . . . . . . . . . 51377 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 51377 _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 . . pET15b . . . 51377 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 51377 _Sample.ID 1 _Sample.Name '13C, 15N-labeled protein' _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number 1 _Sample.Solvent_system '93% H2O/7% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'Rosetta-designed BDBV-MPER immunogen' '[U-100% 13C; U-100% 15N]' . . 1 $entity_1 . . 0.4 . . mg/mL . . . . 51377 1 2 imidazole 'natural abundance' . . . . . . 50 . . mM . . . . 51377 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 51377 1 4 EDTA 'natural abundance' . . . . . . 0.2 . . mM . . . . 51377 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 51377 _Sample_condition_list.ID 1 _Sample_condition_list.Name sample_1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 . pH 51377 1 pressure 1 . atm 51377 1 temperature 298 . K 51377 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 51377 _Software.ID 1 _Software.Type . _Software.Name NMRViewJ _Software.Version 8.0.3 _Software.DOI . _Software.Details . loop_ _Task.Task _Task.Software_module _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' . 51377 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 51377 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name 'Bruker 800' _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model 'AVANCE III' _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 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 51377 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NUS_flag _Experiment.Interleaved_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Details _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51377 1 2 '3D HNCA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51377 1 3 '3D HNCO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51377 1 4 '3D HN(CO)CA' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51377 1 5 '3D HN(CA)CO' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51377 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51377 1 7 '3D HNCACB' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51377 1 8 '3D H(CCO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51377 1 9 '3D C(CO)NH' no . . . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . . 51377 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 51377 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name chemical_shift_reference_1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0 external indirect 0.25144953 . . . . . 51377 1 H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1 . . . . . 51377 1 N 15 DSS 'methyl protons' . . . . ppm 0 external indirect 0.10132912 . . . . . 51377 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 51377 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name assigned_chemical_shifts_list _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' . . . 51377 1 2 '3D HNCA' . . . 51377 1 3 '3D HNCO' . . . 51377 1 4 '3D HN(CO)CA' . . . 51377 1 5 '3D HN(CA)CO' . . . 51377 1 6 '3D CBCA(CO)NH' . . . 51377 1 7 '3D HNCACB' . . . 51377 1 8 '3D H(CCO)NH' . . . 51377 1 9 '3D C(CO)NH' . . . 51377 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 . . 51377 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 MET HA H 1 4.2800 . . 1 . . 55882 . . 1 MET HA . 51377 1 2 . 1 . 1 1 1 MET HB2 H 1 1.7710 . . 2 . . 55891 . . 1 MET HB2 . 51377 1 3 . 1 . 1 1 1 MET HB3 H 1 1.8400 . . 2 . . 55888 . . 1 MET HB3 . 51377 1 4 . 1 . 1 1 1 MET HG2 H 1 3.1790 . . 2 . . 55885 . . 1 MET HG2 . 51377 1 5 . 1 . 1 1 1 MET HG3 H 1 3.1790 . . 2 . . 55885 . . 1 MET HG3 . 51377 1 6 . 1 . 1 1 1 MET HE1 H 1 1.6630 . . 1 . . 55879 . . 1 MET HE1 . 51377 1 7 . 1 . 1 1 1 MET HE2 H 1 1.6630 . . 1 . . 55879 . . 1 MET HE1 . 51377 1 8 . 1 . 1 1 1 MET HE3 H 1 1.6630 . . 1 . . 55879 . . 1 MET HE1 . 51377 1 9 . 1 . 1 1 1 MET C C 13 174.9495 . . 1 . . . . . 1 MET C . 51377 1 10 . 1 . 1 1 1 MET CA C 13 56.5060 . . 1 . . 49813 . . 1 MET CA . 51377 1 11 . 1 . 1 1 1 MET CB C 13 30.8846 . . 1 . . 49819 . . 1 MET CB . 51377 1 12 . 1 . 1 2 2 GLY H H 1 8.4479 . . 1 . . 29464 . . 2 GLY H . 51377 1 13 . 1 . 1 2 2 GLY HA2 H 1 3.9710 . . 2 . . 55783 . . 2 GLY HA2 . 51377 1 14 . 1 . 1 2 2 GLY HA3 H 1 3.9710 . . 2 . . 55783 . . 2 GLY HA3 . 51377 1 15 . 1 . 1 2 2 GLY C C 13 172.1347 . . 1 . . 56073 . . 2 GLY C . 51377 1 16 . 1 . 1 2 2 GLY CA C 13 45.3282 . . 1 . . 56069 . . 2 GLY CA . 51377 1 17 . 1 . 1 2 2 GLY N N 15 109.7610 . . 1 . . 29465 . . 2 GLY N . 51377 1 18 . 1 . 1 3 3 SER H H 1 8.1615 . . 1 . . 29434 . . 3 SER H . 51377 1 19 . 1 . 1 3 3 SER HB2 H 1 3.8490 . . 2 . . 55624 . . 3 SER HB2 . 51377 1 20 . 1 . 1 3 3 SER HB3 H 1 3.8490 . . 2 . . 55624 . . 3 SER HB3 . 51377 1 21 . 1 . 1 3 3 SER C C 13 172.7587 . . 1 . . 56193 . . 3 SER C . 51377 1 22 . 1 . 1 3 3 SER CA C 13 58.4440 . . 1 . . 78298 . . 3 SER CA . 51377 1 23 . 1 . 1 3 3 SER CB C 13 64.0340 . . 1 . . 49594 . . 3 SER CB . 51377 1 24 . 1 . 1 3 3 SER N N 15 114.9477 . . 1 . . 29435 . . 3 SER N . 51377 1 25 . 1 . 1 4 4 SER H H 1 8.4567 . . 1 . . 29380 . . 4 SER H . 51377 1 26 . 1 . 1 4 4 SER CB C 13 68.7240 . . 1 . . 35405 . . 4 SER CB . 51377 1 27 . 1 . 1 4 4 SER N N 15 117.5021 . . 1 . . 29381 . . 4 SER N . 51377 1 28 . 1 . 1 12 12 SER HB2 H 1 3.9040 . . 2 . . 55876 . . 12 SER HB2 . 51377 1 29 . 1 . 1 12 12 SER HB3 H 1 3.9040 . . 2 . . 55876 . . 12 SER HB3 . 51377 1 30 . 1 . 1 12 12 SER C C 13 172.8994 . . 1 . . 56194 . . 12 SER C . 51377 1 31 . 1 . 1 12 12 SER CA C 13 58.7123 . . 1 . . 56190 . . 12 SER CA . 51377 1 32 . 1 . 1 12 12 SER CB C 13 63.9171 . . 1 . . 56190 . . 12 SER CB . 51377 1 33 . 1 . 1 13 13 GLY H H 1 8.3671 . . 1 . . 29461 . . 13 GLY H . 51377 1 34 . 1 . 1 13 13 GLY HA2 H 1 3.9580 . . 2 . . 55273 . . 13 GLY HA2 . 51377 1 35 . 1 . 1 13 13 GLY HA3 H 1 3.9580 . . 2 . . 55273 . . 13 GLY HA3 . 51377 1 36 . 1 . 1 13 13 GLY C C 13 171.7484 . . 1 . . 56085 . . 13 GLY C . 51377 1 37 . 1 . 1 13 13 GLY CA C 13 45.3137 . . 1 . . 56081 . . 13 GLY CA . 51377 1 38 . 1 . 1 13 13 GLY N N 15 110.0284 . . 1 . . 29462 . . 13 GLY N . 51377 1 39 . 1 . 1 14 14 LEU H H 1 8.0309 . . 1 . . 31145 . . 14 LEU H . 51377 1 40 . 1 . 1 14 14 LEU HA H 1 4.3630 . . 1 . . 55243 . . 14 LEU HA . 51377 1 41 . 1 . 1 14 14 LEU HB2 H 1 1.5340 . . 2 . . 55246 . . 14 LEU HB2 . 51377 1 42 . 1 . 1 14 14 LEU HB3 H 1 1.5340 . . 2 . . 55246 . . 14 LEU HB3 . 51377 1 43 . 1 . 1 14 14 LEU HD11 H 1 0.8540 . . 2 . . 55249 . . 14 LEU HD11 . 51377 1 44 . 1 . 1 14 14 LEU HD12 H 1 0.8540 . . 2 . . 55249 . . 14 LEU HD11 . 51377 1 45 . 1 . 1 14 14 LEU HD13 H 1 0.8540 . . 2 . . 55249 . . 14 LEU HD11 . 51377 1 46 . 1 . 1 14 14 LEU HD21 H 1 0.8540 . . 2 . . 55249 . . 14 LEU HD21 . 51377 1 47 . 1 . 1 14 14 LEU HD22 H 1 0.8540 . . 2 . . 55249 . . 14 LEU HD21 . 51377 1 48 . 1 . 1 14 14 LEU HD23 H 1 0.8540 . . 2 . . 55249 . . 14 LEU HD21 . 51377 1 49 . 1 . 1 14 14 LEU C C 13 174.9738 . . 1 . . 56245 . . 14 LEU C . 51377 1 50 . 1 . 1 14 14 LEU CA C 13 55.1377 . . 1 . . 31159 . . 14 LEU CA . 51377 1 51 . 1 . 1 14 14 LEU CB C 13 42.4725 . . 1 . . 56249 . . 14 LEU CB . 51377 1 52 . 1 . 1 14 14 LEU CG C 13 27.0350 . . 1 . . 49336 . . 14 LEU CG . 51377 1 53 . 1 . 1 14 14 LEU CD1 C 13 24.8949 . . 2 . . 49339 . . 14 LEU CD1 . 51377 1 54 . 1 . 1 14 14 LEU CD2 C 13 23.5844 . . 2 . . 49342 . . 14 LEU CD2 . 51377 1 55 . 1 . 1 14 14 LEU N N 15 120.9849 . . 1 . . 31146 . . 14 LEU N . 51377 1 56 . 1 . 1 15 15 VAL H H 1 8.0633 . . 1 . . 29269 . . 15 VAL H . 51377 1 57 . 1 . 1 15 15 VAL C C 13 172.2779 . . 1 . . 56201 . . 15 VAL C . 51377 1 58 . 1 . 1 15 15 VAL CA C 13 59.6799 . . 1 . . 27666 . . 15 VAL CA . 51377 1 59 . 1 . 1 15 15 VAL CB C 13 32.6502 . . 1 . . 27681 . . 15 VAL CB . 51377 1 60 . 1 . 1 15 15 VAL N N 15 121.6330 . . 1 . . 29270 . . 15 VAL N . 51377 1 61 . 1 . 1 20 20 HIS HA H 1 4.6080 . . 1 . . 55312 . . 20 HIS HA . 51377 1 62 . 1 . 1 20 20 HIS HB2 H 1 3.0420 . . 2 . . 55333 . . 20 HIS HB2 . 51377 1 63 . 1 . 1 20 20 HIS HB3 H 1 3.1060 . . 2 . . 55303 . . 20 HIS HB3 . 51377 1 64 . 1 . 1 20 20 HIS C C 13 172.9831 . . 1 . . 30078 . . 20 HIS C . 51377 1 65 . 1 . 1 20 20 HIS CA C 13 56.3300 . . 1 . . 56026 . . 20 HIS CA . 51377 1 66 . 1 . 1 20 20 HIS CB C 13 30.1542 . . 1 . . 29607 . . 20 HIS CB . 51377 1 67 . 1 . 1 21 21 MET H H 1 8.2161 . . 1 . . 29293 . . 21 MET H . 51377 1 68 . 1 . 1 21 21 MET HA H 1 4.3010 . . 1 . . 55405 . . 21 MET HA . 51377 1 69 . 1 . 1 21 21 MET HG2 H 1 2.2370 . . 2 . . 55414 . . 21 MET HG2 . 51377 1 70 . 1 . 1 21 21 MET HG3 H 1 2.2370 . . 2 . . 55414 . . 21 MET HG3 . 51377 1 71 . 1 . 1 21 21 MET HE1 H 1 1.8070 . . 1 . . 55417 . . 21 MET HE1 . 51377 1 72 . 1 . 1 21 21 MET HE2 H 1 1.8070 . . 1 . . 55417 . . 21 MET HE1 . 51377 1 73 . 1 . 1 21 21 MET HE3 H 1 1.8070 . . 1 . . 55417 . . 21 MET HE1 . 51377 1 74 . 1 . 1 21 21 MET C C 13 173.8567 . . 1 . . 30075 . . 21 MET C . 51377 1 75 . 1 . 1 21 21 MET CA C 13 56.0600 . . 1 . . 49435 . . 21 MET CA . 51377 1 76 . 1 . 1 21 21 MET CB C 13 32.5320 . . 1 . . 49444 . . 21 MET CB . 51377 1 77 . 1 . 1 21 21 MET CG C 13 31.7340 . . 1 . . 49447 . . 21 MET CG . 51377 1 78 . 1 . 1 21 21 MET N N 15 120.3043 . . 1 . . 29294 . . 21 MET N . 51377 1 79 . 1 . 1 22 22 PHE H H 1 8.3567 . . 1 . . 27880 . . 22 PHE H . 51377 1 80 . 1 . 1 22 22 PHE HA H 1 4.6690 . . 1 . . 55726 . . 22 PHE HA . 51377 1 81 . 1 . 1 22 22 PHE HB2 H 1 2.9630 . . 2 . . 55732 . . 22 PHE HB2 . 51377 1 82 . 1 . 1 22 22 PHE HB3 H 1 3.1650 . . 2 . . 55729 . . 22 PHE HB3 . 51377 1 83 . 1 . 1 22 22 PHE C C 13 173.4571 . . 1 . . 30123 . . 22 PHE C . 51377 1 84 . 1 . 1 22 22 PHE CA C 13 57.6572 . . 1 . . 32195 . . 22 PHE CA . 51377 1 85 . 1 . 1 22 22 PHE CB C 13 39.5873 . . 1 . . 27894 . . 22 PHE CB . 51377 1 86 . 1 . 1 22 22 PHE N N 15 119.4863 . . 1 . . 27881 . . 22 PHE N . 51377 1 87 . 1 . 1 23 23 SER H H 1 7.9490 . . 1 . . 29413 . . 23 SER H . 51377 1 88 . 1 . 1 23 23 SER HB2 H 1 3.7950 . . 2 . . 55165 . . 23 SER HB2 . 51377 1 89 . 1 . 1 23 23 SER HB3 H 1 3.8810 . . 2 . . 55159 . . 23 SER HB3 . 51377 1 90 . 1 . 1 23 23 SER C C 13 171.8611 . . 1 . . 30294 . . 23 SER C . 51377 1 91 . 1 . 1 23 23 SER CA C 13 58.5499 . . 1 . . 29097 . . 23 SER CA . 51377 1 92 . 1 . 1 23 23 SER CB C 13 64.0770 . . 1 . . 49267 . . 23 SER CB . 51377 1 93 . 1 . 1 23 23 SER N N 15 115.6639 . . 1 . . 29414 . . 23 SER N . 51377 1 94 . 1 . 1 24 24 ALA H H 1 8.2213 . . 1 . . 29245 . . 24 ALA H . 51377 1 95 . 1 . 1 24 24 ALA HA H 1 4.3040 . . 1 . . 55675 . . 24 ALA HA . 51377 1 96 . 1 . 1 24 24 ALA HB1 H 1 1.3740 . . 1 . . 56005 . . 24 ALA HB1 . 51377 1 97 . 1 . 1 24 24 ALA HB2 H 1 1.3740 . . 1 . . 56005 . . 24 ALA HB1 . 51377 1 98 . 1 . 1 24 24 ALA HB3 H 1 1.3740 . . 1 . . 56005 . . 24 ALA HB1 . 51377 1 99 . 1 . 1 24 24 ALA C C 13 175.2683 . . 1 . . 29994 . . 24 ALA C . 51377 1 100 . 1 . 1 24 24 ALA CA C 13 52.7242 . . 1 . . 28800 . . 24 ALA CA . 51377 1 101 . 1 . 1 24 24 ALA CB C 13 19.4079 . . 1 . . 27576 . . 24 ALA CB . 51377 1 102 . 1 . 1 24 24 ALA N N 15 123.5577 . . 1 . . 29246 . . 24 ALA N . 51377 1 103 . 1 . 1 25 25 VAL H H 1 7.7616 . . 1 . . 29398 . . 25 VAL H . 51377 1 104 . 1 . 1 25 25 VAL HA H 1 4.1580 . . 1 . . 55168 . . 25 VAL HA . 51377 1 105 . 1 . 1 25 25 VAL HB H 1 2.1610 . . 1 . . 55171 . . 25 VAL HB . 51377 1 106 . 1 . 1 25 25 VAL HG11 H 1 0.9370 . . 2 . . 55174 . . 25 VAL HG11 . 51377 1 107 . 1 . 1 25 25 VAL HG12 H 1 0.9370 . . 2 . . 55174 . . 25 VAL HG11 . 51377 1 108 . 1 . 1 25 25 VAL HG13 H 1 0.9370 . . 2 . . 55174 . . 25 VAL HG11 . 51377 1 109 . 1 . 1 25 25 VAL HG21 H 1 0.9370 . . 2 . . 55174 . . 25 VAL HG21 . 51377 1 110 . 1 . 1 25 25 VAL HG22 H 1 0.9370 . . 2 . . 55174 . . 25 VAL HG21 . 51377 1 111 . 1 . 1 25 25 VAL HG23 H 1 0.9370 . . 2 . . 55174 . . 25 VAL HG21 . 51377 1 112 . 1 . 1 25 25 VAL C C 13 173.6855 . . 1 . . 30273 . . 25 VAL C . 51377 1 113 . 1 . 1 25 25 VAL CA C 13 62.2469 . . 1 . . 29067 . . 25 VAL CA . 51377 1 114 . 1 . 1 25 25 VAL CB C 13 32.4679 . . 1 . . 28191 . . 25 VAL CB . 51377 1 115 . 1 . 1 25 25 VAL CG1 C 13 21.4846 . . 2 . . 49282 . . 25 VAL CG1 . 51377 1 116 . 1 . 1 25 25 VAL CG2 C 13 20.4881 . . 2 . . 49288 . . 25 VAL CG2 . 51377 1 117 . 1 . 1 25 25 VAL N N 15 115.9989 . . 1 . . 29399 . . 25 VAL N . 51377 1 118 . 1 . 1 26 26 VAL H H 1 8.0039 . . 1 . . 29527 . . 26 VAL H . 51377 1 119 . 1 . 1 26 26 VAL HA H 1 4.2550 . . 1 . . 55432 . . 26 VAL HA . 51377 1 120 . 1 . 1 26 26 VAL HB H 1 2.1360 . . 1 . . 55444 . . 26 VAL HB . 51377 1 121 . 1 . 1 26 26 VAL HG11 H 1 1.0170 . . 2 . . 55456 . . 26 VAL HG11 . 51377 1 122 . 1 . 1 26 26 VAL HG12 H 1 1.0170 . . 2 . . 55456 . . 26 VAL HG11 . 51377 1 123 . 1 . 1 26 26 VAL HG13 H 1 1.0170 . . 2 . . 55456 . . 26 VAL HG11 . 51377 1 124 . 1 . 1 26 26 VAL HG21 H 1 1.0170 . . 2 . . 55456 . . 26 VAL HG21 . 51377 1 125 . 1 . 1 26 26 VAL HG22 H 1 1.0170 . . 2 . . 55456 . . 26 VAL HG21 . 51377 1 126 . 1 . 1 26 26 VAL HG23 H 1 1.0170 . . 2 . . 55456 . . 26 VAL HG21 . 51377 1 127 . 1 . 1 26 26 VAL C C 13 173.2130 . . 1 . . 58241 . . 26 VAL C . 51377 1 128 . 1 . 1 26 26 VAL CA C 13 62.2790 . . 1 . . 49456 . . 26 VAL CA . 51377 1 129 . 1 . 1 26 26 VAL CB C 13 33.3360 . . 1 . . 49465 . . 26 VAL CB . 51377 1 130 . 1 . 1 26 26 VAL CG1 C 13 21.2580 . . 2 . . 49474 . . 26 VAL CG1 . 51377 1 131 . 1 . 1 26 26 VAL CG2 C 13 21.2580 . . 2 . . 49474 . . 26 VAL CG2 . 51377 1 132 . 1 . 1 26 26 VAL N N 15 123.2309 . . 1 . . 29528 . . 26 VAL N . 51377 1 133 . 1 . 1 27 27 SER H H 1 8.6531 . . 1 . . 29326 . . 27 SER H . 51377 1 134 . 1 . 1 27 27 SER HA H 1 4.3480 . . 1 . . 55279 . . 27 SER HA . 51377 1 135 . 1 . 1 27 27 SER HB2 H 1 4.0600 . . 2 . . 55285 . . 27 SER HB2 . 51377 1 136 . 1 . 1 27 27 SER HB3 H 1 4.0600 . . 2 . . 55285 . . 27 SER HB3 . 51377 1 137 . 1 . 1 27 27 SER C C 13 172.8764 . . 1 . . 56135 . . 27 SER C . 51377 1 138 . 1 . 1 27 27 SER CA C 13 56.9616 . . 1 . . 27918 . . 27 SER CA . 51377 1 139 . 1 . 1 27 27 SER CB C 13 65.6634 . . 1 . . 56139 . . 27 SER CB . 51377 1 140 . 1 . 1 27 27 SER N N 15 119.2932 . . 1 . . 29327 . . 27 SER N . 51377 1 141 . 1 . 1 28 28 VAL H H 1 8.4630 . . 1 . . 29287 . . 28 VAL H . 51377 1 142 . 1 . 1 28 28 VAL HA H 1 3.7490 . . 1 . . 55933 . . 28 VAL HA . 51377 1 143 . 1 . 1 28 28 VAL HB H 1 1.9060 . . 1 . . 55936 . . 28 VAL HB . 51377 1 144 . 1 . 1 28 28 VAL HG11 H 1 0.7370 . . 2 . . 55942 . . 28 VAL HG11 . 51377 1 145 . 1 . 1 28 28 VAL HG12 H 1 0.7370 . . 2 . . 55942 . . 28 VAL HG11 . 51377 1 146 . 1 . 1 28 28 VAL HG13 H 1 0.7370 . . 2 . . 55942 . . 28 VAL HG11 . 51377 1 147 . 1 . 1 28 28 VAL HG21 H 1 0.8320 . . 2 . . 55939 . . 28 VAL HG21 . 51377 1 148 . 1 . 1 28 28 VAL HG22 H 1 0.8320 . . 2 . . 55939 . . 28 VAL HG21 . 51377 1 149 . 1 . 1 28 28 VAL HG23 H 1 0.8320 . . 2 . . 55939 . . 28 VAL HG21 . 51377 1 150 . 1 . 1 28 28 VAL C C 13 175.8731 . . 1 . . 30057 . . 28 VAL C . 51377 1 151 . 1 . 1 28 28 VAL CA C 13 66.8170 . . 1 . . 28872 . . 28 VAL CA . 51377 1 152 . 1 . 1 28 28 VAL CB C 13 31.9125 . . 1 . . 27735 . . 28 VAL CB . 51377 1 153 . 1 . 1 28 28 VAL CG1 C 13 20.6855 . . 2 . . 49867 . . 28 VAL CG1 . 51377 1 154 . 1 . 1 28 28 VAL CG2 C 13 23.1130 . . 2 . . 49864 . . 28 VAL CG2 . 51377 1 155 . 1 . 1 28 28 VAL N N 15 120.8210 . . 1 . . 29288 . . 28 VAL N . 51377 1 156 . 1 . 1 29 29 GLY H H 1 8.7157 . . 1 . . 29479 . . 29 GLY H . 51377 1 157 . 1 . 1 29 29 GLY HA2 H 1 3.5780 . . 2 . . 55225 . . 29 GLY HA2 . 51377 1 158 . 1 . 1 29 29 GLY HA3 H 1 3.9660 . . 2 . . 55219 . . 29 GLY HA3 . 51377 1 159 . 1 . 1 29 29 GLY C C 13 173.8801 . . 1 . . 30387 . . 29 GLY C . 51377 1 160 . 1 . 1 29 29 GLY CA C 13 47.6561 . . 1 . . 28494 . . 29 GLY CA . 51377 1 161 . 1 . 1 29 29 GLY N N 15 105.7157 . . 1 . . 29480 . . 29 GLY N . 51377 1 162 . 1 . 1 30 30 ASP H H 1 7.8974 . . 1 . . 29263 . . 30 ASP H . 51377 1 163 . 1 . 1 30 30 ASP HA H 1 4.3770 . . 1 . . 55144 . . 30 ASP HA . 51377 1 164 . 1 . 1 30 30 ASP HB2 H 1 2.6850 . . 2 . . 55150 . . 30 ASP HB2 . 51377 1 165 . 1 . 1 30 30 ASP HB3 H 1 2.9240 . . 2 . . 55147 . . 30 ASP HB3 . 51377 1 166 . 1 . 1 30 30 ASP C C 13 177.0799 . . 1 . . 30027 . . 30 ASP C . 51377 1 167 . 1 . 1 30 30 ASP CA C 13 57.3306 . . 1 . . 28830 . . 30 ASP CA . 51377 1 168 . 1 . 1 30 30 ASP CB C 13 40.5916 . . 1 . . 27642 . . 30 ASP CB . 51377 1 169 . 1 . 1 30 30 ASP N N 15 121.8886 . . 1 . . 29264 . . 30 ASP N . 51377 1 170 . 1 . 1 31 31 TRP H H 1 8.0554 . . 1 . . 29239 . . 31 TRP H . 51377 1 171 . 1 . 1 31 31 TRP HA H 1 4.2490 . . 1 . . 55693 . . 31 TRP HA . 51377 1 172 . 1 . 1 31 31 TRP HB2 H 1 2.9950 . . 2 . . 55702 . . 31 TRP HB2 . 51377 1 173 . 1 . 1 31 31 TRP HB3 H 1 3.4510 . . 2 . . 55699 . . 31 TRP HB3 . 51377 1 174 . 1 . 1 31 31 TRP HE1 H 1 10.0552 . . 1 . . . . . 31 TRP HE1 . 51377 1 175 . 1 . 1 31 31 TRP C C 13 174.4871 . . 1 . . 29985 . . 31 TRP C . 51377 1 176 . 1 . 1 31 31 TRP CA C 13 60.4338 . . 1 . . 28785 . . 31 TRP CA . 51377 1 177 . 1 . 1 31 31 TRP CB C 13 27.7137 . . 1 . . 27561 . . 31 TRP CB . 51377 1 178 . 1 . 1 31 31 TRP N N 15 124.1298 . . 1 . . 29240 . . 31 TRP N . 51377 1 179 . 1 . 1 31 31 TRP NE1 N 15 129.3985 . . 1 . . . . . 31 TRP NE1 . 51377 1 180 . 1 . 1 32 32 LEU H H 1 8.3661 . . 1 . . 29407 . . 32 LEU H . 51377 1 181 . 1 . 1 32 32 LEU HA H 1 3.0200 . . 1 . . 55633 . . 32 LEU HA . 51377 1 182 . 1 . 1 32 32 LEU HB2 H 1 1.5730 . . 2 . . 55639 . . 32 LEU HB2 . 51377 1 183 . 1 . 1 32 32 LEU HB3 H 1 1.5730 . . 2 . . 55639 . . 32 LEU HB3 . 51377 1 184 . 1 . 1 32 32 LEU HD11 H 1 0.3920 . . 2 . . 78305 . . 32 LEU HD11 . 51377 1 185 . 1 . 1 32 32 LEU HD12 H 1 0.3920 . . 2 . . 78305 . . 32 LEU HD11 . 51377 1 186 . 1 . 1 32 32 LEU HD13 H 1 0.3920 . . 2 . . 78305 . . 32 LEU HD11 . 51377 1 187 . 1 . 1 32 32 LEU HD21 H 1 0.4870 . . 2 . . 55642 . . 32 LEU HD21 . 51377 1 188 . 1 . 1 32 32 LEU HD22 H 1 0.4870 . . 2 . . 55642 . . 32 LEU HD21 . 51377 1 189 . 1 . 1 32 32 LEU HD23 H 1 0.4870 . . 2 . . 55642 . . 32 LEU HD21 . 51377 1 190 . 1 . 1 32 32 LEU C C 13 178.1353 . . 1 . . 30276 . . 32 LEU C . 51377 1 191 . 1 . 1 32 32 LEU CA C 13 56.9244 . . 1 . . 29094 . . 32 LEU CA . 51377 1 192 . 1 . 1 32 32 LEU CB C 13 41.2270 . . 1 . . 28227 . . 32 LEU CB . 51377 1 193 . 1 . 1 32 32 LEU CG C 13 26.2473 . . 1 . . 49612 . . 32 LEU CG . 51377 1 194 . 1 . 1 32 32 LEU CD1 C 13 21.1810 . . 2 . . 55990 . . 32 LEU CD1 . 51377 1 195 . 1 . 1 32 32 LEU CD2 C 13 21.1810 . . 2 . . 55990 . . 32 LEU CD2 . 51377 1 196 . 1 . 1 32 32 LEU N N 15 115.8453 . . 1 . . 29408 . . 32 LEU N . 51377 1 197 . 1 . 1 33 33 GLN H H 1 8.0179 . . 1 . . 29386 . . 33 GLN H . 51377 1 198 . 1 . 1 33 33 GLN HA H 1 4.0380 . . 1 . . 55177 . . 33 GLN HA . 51377 1 199 . 1 . 1 33 33 GLN HB2 H 1 2.1560 . . 2 . . 55186 . . 33 GLN HB2 . 51377 1 200 . 1 . 1 33 33 GLN HB3 H 1 2.1560 . . 2 . . 55186 . . 33 GLN HB3 . 51377 1 201 . 1 . 1 33 33 GLN HG2 H 1 2.3120 . . 2 . . 55183 . . 33 GLN HG2 . 51377 1 202 . 1 . 1 33 33 GLN HG3 H 1 2.4880 . . 2 . . 55180 . . 33 GLN HG3 . 51377 1 203 . 1 . 1 33 33 GLN C C 13 177.6086 . . 1 . . 30243 . . 33 GLN C . 51377 1 204 . 1 . 1 33 33 GLN CA C 13 59.1234 . . 1 . . 28137 . . 33 GLN CA . 51377 1 205 . 1 . 1 33 33 GLN CB C 13 28.6218 . . 1 . . 28146 . . 33 GLN CB . 51377 1 206 . 1 . 1 33 33 GLN CG C 13 34.2454 . . 1 . . 49276 . . 33 GLN CG . 51377 1 207 . 1 . 1 33 33 GLN N N 15 117.4044 . . 1 . . 29387 . . 33 GLN N . 51377 1 208 . 1 . 1 34 34 ALA H H 1 7.7785 . . 1 . . 29251 . . 34 ALA H . 51377 1 209 . 1 . 1 34 34 ALA HA H 1 4.1400 . . 1 . . 55927 . . 34 ALA HA . 51377 1 210 . 1 . 1 34 34 ALA HB1 H 1 1.6240 . . 1 . . 55930 . . 34 ALA HB1 . 51377 1 211 . 1 . 1 34 34 ALA HB2 H 1 1.6240 . . 1 . . 55930 . . 34 ALA HB1 . 51377 1 212 . 1 . 1 34 34 ALA HB3 H 1 1.6240 . . 1 . . 55930 . . 34 ALA HB1 . 51377 1 213 . 1 . 1 34 34 ALA CA C 13 55.2230 . . 1 . . 27591 . . 34 ALA CA . 51377 1 214 . 1 . 1 34 34 ALA CB C 13 18.0245 . . 1 . . 27603 . . 34 ALA CB . 51377 1 215 . 1 . 1 34 34 ALA N N 15 123.1844 . . 1 . . 29252 . . 34 ALA N . 51377 1 216 . 1 . 1 35 35 ILE H H 1 7.1133 . . 1 . . 29956 . . 35 ILE H . 51377 1 217 . 1 . 1 35 35 ILE HA H 1 4.4740 . . 1 . . 55690 . . 35 ILE HA . 51377 1 218 . 1 . 1 35 35 ILE HB H 1 1.9810 . . 1 . . 55705 . . 35 ILE HB . 51377 1 219 . 1 . 1 35 35 ILE HG12 H 1 1.3740 . . 2 . . . . . 35 ILE HG12 . 51377 1 220 . 1 . 1 35 35 ILE HG13 H 1 1.3740 . . 2 . . . . . 35 ILE HG13 . 51377 1 221 . 1 . 1 35 35 ILE HG21 H 1 0.7940 . . 1 . . 55720 . . 35 ILE HG21 . 51377 1 222 . 1 . 1 35 35 ILE HG22 H 1 0.7940 . . 1 . . 55720 . . 35 ILE HG21 . 51377 1 223 . 1 . 1 35 35 ILE HG23 H 1 0.7940 . . 1 . . 55720 . . 35 ILE HG21 . 51377 1 224 . 1 . 1 35 35 ILE HD11 H 1 0.6870 . . 1 . . 55723 . . 35 ILE HD11 . 51377 1 225 . 1 . 1 35 35 ILE HD12 H 1 0.6870 . . 1 . . 55723 . . 35 ILE HD11 . 51377 1 226 . 1 . 1 35 35 ILE HD13 H 1 0.6870 . . 1 . . 55723 . . 35 ILE HD11 . 51377 1 227 . 1 . 1 35 35 ILE C C 13 172.2047 . . 1 . . 30381 . . 35 ILE C . 51377 1 228 . 1 . 1 35 35 ILE CA C 13 60.7743 . . 1 . . 29211 . . 35 ILE CA . 51377 1 229 . 1 . 1 35 35 ILE CB C 13 38.0258 . . 1 . . 28485 . . 35 ILE CB . 51377 1 230 . 1 . 1 35 35 ILE CG1 C 13 25.9805 . . 1 . . 56277 . . 35 ILE CG1 . 51377 1 231 . 1 . 1 35 35 ILE CG2 C 13 16.9930 . . 1 . . 49687 . . 35 ILE CG2 . 51377 1 232 . 1 . 1 35 35 ILE CD1 C 13 14.2398 . . 1 . . 56280 . . 35 ILE CD1 . 51377 1 233 . 1 . 1 35 35 ILE N N 15 107.5905 . . 1 . . 29957 . . 35 ILE N . 51377 1 234 . 1 . 1 36 36 LYS H H 1 7.6392 . . 1 . . 29404 . . 36 LYS H . 51377 1 235 . 1 . 1 36 36 LYS HA H 1 4.0650 . . 1 . . 55651 . . 36 LYS HA . 51377 1 236 . 1 . 1 36 36 LYS HB2 H 1 1.9810 . . 2 . . 55657 . . 36 LYS HB2 . 51377 1 237 . 1 . 1 36 36 LYS HB3 H 1 2.0680 . . 2 . . 55654 . . 36 LYS HB3 . 51377 1 238 . 1 . 1 36 36 LYS HG2 H 1 1.3340 . . 2 . . 55660 . . 36 LYS HG2 . 51377 1 239 . 1 . 1 36 36 LYS HG3 H 1 1.3340 . . 2 . . 55660 . . 36 LYS HG3 . 51377 1 240 . 1 . 1 36 36 LYS HD2 H 1 1.6230 . . 2 . . 56283 . . 36 LYS HD2 . 51377 1 241 . 1 . 1 36 36 LYS HD3 H 1 1.7150 . . 2 . . 56286 . . 36 LYS HD3 . 51377 1 242 . 1 . 1 36 36 LYS C C 13 174.9835 . . 1 . . 30282 . . 36 LYS C . 51377 1 243 . 1 . 1 36 36 LYS CA C 13 57.2527 . . 1 . . 29088 . . 36 LYS CA . 51377 1 244 . 1 . 1 36 36 LYS CB C 13 28.5122 . . 1 . . 28236 . . 36 LYS CB . 51377 1 245 . 1 . 1 36 36 LYS CG C 13 25.0528 . . 1 . . 49630 . . 36 LYS CG . 51377 1 246 . 1 . 1 36 36 LYS N N 15 115.8732 . . 1 . . 29405 . . 36 LYS N . 51377 1 247 . 1 . 1 37 37 MET H H 1 8.4750 . . 1 . . 29392 . . 37 MET H . 51377 1 248 . 1 . 1 37 37 MET HA H 1 4.8890 . . 1 . . 55579 . . 37 MET HA . 51377 1 249 . 1 . 1 37 37 MET HB2 H 1 2.2730 . . 2 . . 55600 . . 37 MET HB2 . 51377 1 250 . 1 . 1 37 37 MET HB3 H 1 2.2730 . . 2 . . 55600 . . 37 MET HB3 . 51377 1 251 . 1 . 1 37 37 MET HG2 H 1 2.3390 . . 2 . . 55597 . . 37 MET HG2 . 51377 1 252 . 1 . 1 37 37 MET HG3 H 1 2.4360 . . 2 . . 55594 . . 37 MET HG3 . 51377 1 253 . 1 . 1 37 37 MET HE1 H 1 1.3800 . . 1 . . 55609 . . 37 MET HE1 . 51377 1 254 . 1 . 1 37 37 MET HE2 H 1 1.3800 . . 1 . . 55609 . . 37 MET HE1 . 51377 1 255 . 1 . 1 37 37 MET HE3 H 1 1.3800 . . 1 . . 55609 . . 37 MET HE1 . 51377 1 256 . 1 . 1 37 37 MET C C 13 173.0957 . . 1 . . 30255 . . 37 MET C . 51377 1 257 . 1 . 1 37 37 MET CA C 13 53.2640 . . 1 . . 29058 . . 37 MET CA . 51377 1 258 . 1 . 1 37 37 MET CB C 13 34.3920 . . 1 . . 49576 . . 37 MET CB . 51377 1 259 . 1 . 1 37 37 MET CG C 13 31.9524 . . 1 . . 49579 . . 37 MET CG . 51377 1 260 . 1 . 1 37 37 MET N N 15 116.9066 . . 1 . . 29393 . . 37 MET N . 51377 1 261 . 1 . 1 38 38 ASP H H 1 8.9681 . . 1 . . 29368 . . 38 ASP H . 51377 1 262 . 1 . 1 38 38 ASP HA H 1 3.8630 . . 1 . . 55462 . . 38 ASP HA . 51377 1 263 . 1 . 1 38 38 ASP HB2 H 1 2.6120 . . 2 . . 55465 . . 38 ASP HB2 . 51377 1 264 . 1 . 1 38 38 ASP HB3 H 1 2.6110 . . 2 . . 55465 . . 38 ASP HB3 . 51377 1 265 . 1 . 1 38 38 ASP C C 13 174.9839 . . 1 . . 30210 . . 38 ASP C . 51377 1 266 . 1 . 1 38 38 ASP CA C 13 56.0610 . . 1 . . 49477 . . 38 ASP CA . 51377 1 267 . 1 . 1 38 38 ASP CB C 13 39.3630 . . 1 . . 49480 . . 38 ASP CB . 51377 1 268 . 1 . 1 38 38 ASP N N 15 117.7754 . . 1 . . 29369 . . 38 ASP N . 51377 1 269 . 1 . 1 39 39 ARG H H 1 8.2915 . . 1 . . 27952 . . 39 ARG H . 51377 1 270 . 1 . 1 39 39 ARG HA H 1 4.2000 . . 1 . . 55585 . . 39 ARG HA . 51377 1 271 . 1 . 1 39 39 ARG HB2 H 1 1.6910 . . 2 . . 55603 . . 39 ARG HB2 . 51377 1 272 . 1 . 1 39 39 ARG HB3 H 1 1.6910 . . 2 . . 55603 . . 39 ARG HB3 . 51377 1 273 . 1 . 1 39 39 ARG HG2 H 1 1.4810 . . 2 . . 55606 . . 39 ARG HG2 . 51377 1 274 . 1 . 1 39 39 ARG HG3 H 1 1.4810 . . 2 . . 55606 . . 39 ARG HG3 . 51377 1 275 . 1 . 1 39 39 ARG CA C 13 58.0104 . . 1 . . 28971 . . 39 ARG CA . 51377 1 276 . 1 . 1 39 39 ARG CB C 13 28.4000 . . 1 . . 27948 . . 39 ARG CB . 51377 1 277 . 1 . 1 39 39 ARG CG C 13 24.6228 . . 1 . . 49582 . . 39 ARG CG . 51377 1 278 . 1 . 1 39 39 ARG CD C 13 43.4560 . . 1 . . 49552 . . 39 ARG CD . 51377 1 279 . 1 . 1 39 39 ARG N N 15 119.1255 . . 1 . . 27953 . . 39 ARG N . 51377 1 280 . 1 . 1 40 40 TYR H H 1 7.7526 . . 1 . . 28069 . . 40 TYR H . 51377 1 281 . 1 . 1 40 40 TYR HA H 1 5.3990 . . 1 . . 55213 . . 40 TYR HA . 51377 1 282 . 1 . 1 40 40 TYR HB2 H 1 2.7540 . . 2 . . 55228 . . 40 TYR HB2 . 51377 1 283 . 1 . 1 40 40 TYR HB3 H 1 3.6350 . . 2 . . 55222 . . 40 TYR HB3 . 51377 1 284 . 1 . 1 40 40 TYR C C 13 174.1814 . . 1 . . 30222 . . 40 TYR C . 51377 1 285 . 1 . 1 40 40 TYR CA C 13 57.1923 . . 1 . . 29013 . . 40 TYR CA . 51377 1 286 . 1 . 1 40 40 TYR CB C 13 38.8324 . . 1 . . 28107 . . 40 TYR CB . 51377 1 287 . 1 . 1 40 40 TYR N N 15 117.8071 . . 1 . . 28070 . . 40 TYR N . 51377 1 288 . 1 . 1 41 41 LYS H H 1 7.8069 . . 1 . . 28822 . . 41 LYS H . 51377 1 289 . 1 . 1 41 41 LYS HA H 1 3.8800 . . 1 . . 55540 . . 41 LYS HA . 51377 1 290 . 1 . 1 41 41 LYS HB2 H 1 1.7730 . . 2 . . 55549 . . 41 LYS HB2 . 51377 1 291 . 1 . 1 41 41 LYS HB3 H 1 1.7730 . . 2 . . 55549 . . 41 LYS HB3 . 51377 1 292 . 1 . 1 41 41 LYS HG2 H 1 1.9410 . . 2 . . 55546 . . 41 LYS HG2 . 51377 1 293 . 1 . 1 41 41 LYS HG3 H 1 1.9410 . . 2 . . 55546 . . 41 LYS HG3 . 51377 1 294 . 1 . 1 41 41 LYS HD2 H 1 1.5260 . . 2 . . 55552 . . 41 LYS HD2 . 51377 1 295 . 1 . 1 41 41 LYS HD3 H 1 1.5260 . . 2 . . 55552 . . 41 LYS HD3 . 51377 1 296 . 1 . 1 41 41 LYS C C 13 176.8205 . . 1 . . 30021 . . 41 LYS C . 51377 1 297 . 1 . 1 41 41 LYS CA C 13 61.5410 . . 1 . . 49525 . . 41 LYS CA . 51377 1 298 . 1 . 1 41 41 LYS CB C 13 32.1830 . . 1 . . 49531 . . 41 LYS CB . 51377 1 299 . 1 . 1 41 41 LYS CG C 13 24.9860 . . 1 . . 49537 . . 41 LYS CG . 51377 1 300 . 1 . 1 41 41 LYS N N 15 121.9168 . . 1 . . 28823 . . 41 LYS N . 51377 1 301 . 1 . 1 42 42 ASP H H 1 9.2278 . . 1 . . 29353 . . 42 ASP H . 51377 1 302 . 1 . 1 42 42 ASP HA H 1 4.5740 . . 1 . . 55648 . . 42 ASP HA . 51377 1 303 . 1 . 1 42 42 ASP HB2 H 1 2.7300 . . 2 . . 55645 . . 42 ASP HB2 . 51377 1 304 . 1 . 1 42 42 ASP HB3 H 1 2.7300 . . 2 . . 55645 . . 42 ASP HB3 . 51377 1 305 . 1 . 1 42 42 ASP C C 13 175.5479 . . 1 . . 30201 . . 42 ASP C . 51377 1 306 . 1 . 1 42 42 ASP CA C 13 57.1776 . . 1 . . 28998 . . 42 ASP CA . 51377 1 307 . 1 . 1 42 42 ASP CB C 13 39.9491 . . 1 . . 28059 . . 42 ASP CB . 51377 1 308 . 1 . 1 42 42 ASP N N 15 118.0122 . . 1 . . 29354 . . 42 ASP N . 51377 1 309 . 1 . 1 43 43 ASN H H 1 8.1433 . . 1 . . 29389 . . 43 ASN H . 51377 1 310 . 1 . 1 43 43 ASN HA H 1 4.4570 . . 1 . . 55756 . . 43 ASN HA . 51377 1 311 . 1 . 1 43 43 ASN HB2 H 1 2.8420 . . 2 . . 55771 . . 43 ASN HB2 . 51377 1 312 . 1 . 1 43 43 ASN HB3 H 1 2.9510 . . 2 . . 55768 . . 43 ASN HB3 . 51377 1 313 . 1 . 1 43 43 ASN C C 13 176.1244 . . 1 . . 30246 . . 43 ASN C . 51377 1 314 . 1 . 1 43 43 ASN CA C 13 57.2597 . . 1 . . . . . 43 ASN CA . 51377 1 315 . 1 . 1 43 43 ASN CB C 13 36.5451 . . 1 . . 28164 . . 43 ASN CB . 51377 1 316 . 1 . 1 43 43 ASN N N 15 116.9475 . . 1 . . 29390 . . 43 ASN N . 51377 1 317 . 1 . 1 44 44 PHE H H 1 7.8535 . . 1 . . 29422 . . 44 PHE H . 51377 1 318 . 1 . 1 44 44 PHE HA H 1 4.1710 . . 1 . . 55801 . . 44 PHE HA . 51377 1 319 . 1 . 1 44 44 PHE HB2 H 1 3.2750 . . 2 . . 55804 . . 44 PHE HB2 . 51377 1 320 . 1 . 1 44 44 PHE HB3 H 1 3.5250 . . 2 . . 55807 . . 44 PHE HB3 . 51377 1 321 . 1 . 1 44 44 PHE C C 13 176.2296 . . 1 . . 36034 . . 44 PHE C . 51377 1 322 . 1 . 1 44 44 PHE CA C 13 62.8189 . . 1 . . 36161 . . 44 PHE CA . 51377 1 323 . 1 . 1 44 44 PHE CB C 13 38.7946 . . 1 . . 36289 . . 44 PHE CB . 51377 1 324 . 1 . 1 44 44 PHE N N 15 115.3476 . . 1 . . 29423 . . 44 PHE N . 51377 1 325 . 1 . 1 45 45 THR H H 1 8.4859 . . 1 . . 29437 . . 45 THR H . 51377 1 326 . 1 . 1 45 45 THR HA H 1 4.3010 . . 1 . . 55138 . . 45 THR HA . 51377 1 327 . 1 . 1 45 45 THR HB H 1 3.7270 . . 1 . . 55135 . . 45 THR HB . 51377 1 328 . 1 . 1 45 45 THR HG21 H 1 1.2940 . . 1 . . 55141 . . 45 THR HG21 . 51377 1 329 . 1 . 1 45 45 THR HG22 H 1 1.2940 . . 1 . . 55141 . . 45 THR HG21 . 51377 1 330 . 1 . 1 45 45 THR HG23 H 1 1.2940 . . 1 . . 55141 . . 45 THR HG21 . 51377 1 331 . 1 . 1 45 45 THR C C 13 176.3837 . . 1 . . 30330 . . 45 THR C . 51377 1 332 . 1 . 1 45 45 THR CA C 13 67.0151 . . 1 . . 28335 . . 45 THR CA . 51377 1 333 . 1 . 1 45 45 THR CB C 13 68.3496 . . 1 . . 28332 . . 45 THR CB . 51377 1 334 . 1 . 1 45 45 THR CG2 C 13 22.0918 . . 1 . . 49255 . . 45 THR CG2 . 51377 1 335 . 1 . 1 45 45 THR N N 15 114.7481 . . 1 . . 29438 . . 45 THR N . 51377 1 336 . 1 . 1 46 46 ALA H H 1 8.8318 . . 1 . . 27544 . . 46 ALA H . 51377 1 337 . 1 . 1 46 46 ALA HA H 1 4.1590 . . 1 . . 55681 . . 46 ALA HA . 51377 1 338 . 1 . 1 46 46 ALA HB1 H 1 1.5450 . . 1 . . 55684 . . 46 ALA HB1 . 51377 1 339 . 1 . 1 46 46 ALA HB2 H 1 1.5450 . . 1 . . 55684 . . 46 ALA HB1 . 51377 1 340 . 1 . 1 46 46 ALA HB3 H 1 1.5450 . . 1 . . 55684 . . 46 ALA HB1 . 51377 1 341 . 1 . 1 46 46 ALA CA C 13 55.0264 . . 1 . . 27540 . . 46 ALA CA . 51377 1 342 . 1 . 1 46 46 ALA CB C 13 18.1003 . . 1 . . 27543 . . 46 ALA CB . 51377 1 343 . 1 . 1 46 46 ALA N N 15 124.6334 . . 1 . . 27545 . . 46 ALA N . 51377 1 344 . 1 . 1 47 47 ALA H H 1 6.9240 . . 1 . . 29827 . . 47 ALA H . 51377 1 345 . 1 . 1 47 47 ALA HA H 1 4.5400 . . 1 . . 55945 . . 47 ALA HA . 51377 1 346 . 1 . 1 47 47 ALA HB1 H 1 1.7110 . . 1 . . 55948 . . 47 ALA HB1 . 51377 1 347 . 1 . 1 47 47 ALA HB2 H 1 1.7110 . . 1 . . 55948 . . 47 ALA HB1 . 51377 1 348 . 1 . 1 47 47 ALA HB3 H 1 1.7110 . . 1 . . 55948 . . 47 ALA HB1 . 51377 1 349 . 1 . 1 47 47 ALA C C 13 174.7687 . . 1 . . 30270 . . 47 ALA C . 51377 1 350 . 1 . 1 47 47 ALA CA C 13 51.2992 . . 1 . . 29076 . . 47 ALA CA . 51377 1 351 . 1 . 1 47 47 ALA CB C 13 20.5353 . . 1 . . 28242 . . 47 ALA CB . 51377 1 352 . 1 . 1 47 47 ALA N N 15 115.9330 . . 1 . . 29828 . . 47 ALA N . 51377 1 353 . 1 . 1 48 48 GLY H H 1 7.7954 . . 1 . . 29482 . . 48 GLY H . 51377 1 354 . 1 . 1 48 48 GLY HA2 H 1 3.6750 . . 2 . . 55276 . . 48 GLY HA2 . 51377 1 355 . 1 . 1 48 48 GLY HA3 H 1 4.1260 . . 2 . . 55270 . . 48 GLY HA3 . 51377 1 356 . 1 . 1 48 48 GLY C C 13 172.4843 . . 1 . . 30393 . . 48 GLY C . 51377 1 357 . 1 . 1 48 48 GLY CA C 13 45.4143 . . 1 . . 29226 . . 48 GLY CA . 51377 1 358 . 1 . 1 48 48 GLY N N 15 104.7336 . . 1 . . 29483 . . 48 GLY N . 51377 1 359 . 1 . 1 49 49 TYR H H 1 8.2592 . . 1 . . 29281 . . 49 TYR H . 51377 1 360 . 1 . 1 49 49 TYR HA H 1 4.5990 . . 1 . . 55909 . . 49 TYR HA . 51377 1 361 . 1 . 1 49 49 TYR HB2 H 1 2.9660 . . 2 . . 55915 . . 49 TYR HB2 . 51377 1 362 . 1 . 1 49 49 TYR HB3 H 1 3.2850 . . 2 . . 55912 . . 49 TYR HB3 . 51377 1 363 . 1 . 1 49 49 TYR C C 13 173.0302 . . 1 . . 30051 . . 49 TYR C . 51377 1 364 . 1 . 1 49 49 TYR CA C 13 57.7980 . . 1 . . 55993 . . 49 TYR CA . 51377 1 365 . 1 . 1 49 49 TYR CB C 13 37.8507 . . 1 . . 27708 . . 49 TYR CB . 51377 1 366 . 1 . 1 49 49 TYR N N 15 121.0415 . . 1 . . 29282 . . 49 TYR N . 51377 1 367 . 1 . 1 50 50 THR H H 1 8.0863 . . 1 . . 29470 . . 50 THR H . 51377 1 368 . 1 . 1 50 50 THR HA H 1 4.5970 . . 1 . . 55849 . . 50 THR HA . 51377 1 369 . 1 . 1 50 50 THR HB H 1 4.5060 . . 1 . . 55852 . . 50 THR HB . 51377 1 370 . 1 . 1 50 50 THR HG21 H 1 1.2000 . . 1 . . 55855 . . 50 THR HG21 . 51377 1 371 . 1 . 1 50 50 THR HG22 H 1 1.2000 . . 1 . . 55855 . . 50 THR HG21 . 51377 1 372 . 1 . 1 50 50 THR HG23 H 1 1.2000 . . 1 . . 55855 . . 50 THR HG21 . 51377 1 373 . 1 . 1 50 50 THR C C 13 173.1162 . . 1 . . 30369 . . 50 THR C . 51377 1 374 . 1 . 1 50 50 THR CA C 13 61.6441 . . 1 . . 29199 . . 50 THR CA . 51377 1 375 . 1 . 1 50 50 THR CB C 13 69.7280 . . 1 . . 49783 . . 50 THR CB . 51377 1 376 . 1 . 1 50 50 THR CG2 C 13 22.3384 . . 1 . . 49792 . . 50 THR CG2 . 51377 1 377 . 1 . 1 50 50 THR N N 15 108.3285 . . 1 . . 29471 . . 50 THR N . 51377 1 378 . 1 . 1 51 51 THR H H 1 7.5286 . . 1 . . 28384 . . 51 THR H . 51377 1 379 . 1 . 1 51 51 THR HA H 1 4.6030 . . 1 . . 55207 . . 51 THR HA . 51377 1 380 . 1 . 1 51 51 THR HB H 1 4.3390 . . 1 . . 56295 . . 51 THR HB . 51377 1 381 . 1 . 1 51 51 THR HG1 H 1 4.8910 . . 1 . . 55204 . . 51 THR HG1 . 51377 1 382 . 1 . 1 51 51 THR HG21 H 1 1.2660 . . 1 . . 55210 . . 51 THR HG21 . 51377 1 383 . 1 . 1 51 51 THR HG22 H 1 1.2660 . . 1 . . 55210 . . 51 THR HG21 . 51377 1 384 . 1 . 1 51 51 THR HG23 H 1 1.2660 . . 1 . . 55210 . . 51 THR HG21 . 51377 1 385 . 1 . 1 51 51 THR C C 13 172.2771 . . 1 . . 30348 . . 51 THR C . 51377 1 386 . 1 . 1 51 51 THR CA C 13 59.3150 . . 1 . . 56298 . . 51 THR CA . 51377 1 387 . 1 . 1 51 51 THR CB C 13 72.4586 . . 1 . . 28383 . . 51 THR CB . 51377 1 388 . 1 . 1 51 51 THR CG2 C 13 21.9334 . . 1 . . 49306 . . 51 THR CG2 . 51377 1 389 . 1 . 1 51 51 THR N N 15 111.5779 . . 1 . . 28385 . . 51 THR N . 51377 1 390 . 1 . 1 52 52 LEU H H 1 8.9735 . . 1 . . 29257 . . 52 LEU H . 51377 1 391 . 1 . 1 52 52 LEU HA H 1 3.7370 . . 1 . . 55567 . . 52 LEU HA . 51377 1 392 . 1 . 1 52 52 LEU HB2 H 1 1.3480 . . 2 . . 55573 . . 52 LEU HB2 . 51377 1 393 . 1 . 1 52 52 LEU HB3 H 1 1.3480 . . 2 . . 55573 . . 52 LEU HB3 . 51377 1 394 . 1 . 1 52 52 LEU HG H 1 1.5300 . . 1 . . 55570 . . 52 LEU HG . 51377 1 395 . 1 . 1 52 52 LEU HD11 H 1 1.1810 . . 2 . . 55576 . . 52 LEU HD11 . 51377 1 396 . 1 . 1 52 52 LEU HD12 H 1 1.1810 . . 2 . . 55576 . . 52 LEU HD11 . 51377 1 397 . 1 . 1 52 52 LEU HD13 H 1 1.1810 . . 2 . . 55576 . . 52 LEU HD11 . 51377 1 398 . 1 . 1 52 52 LEU HD21 H 1 1.1810 . . 2 . . 55576 . . 52 LEU HD21 . 51377 1 399 . 1 . 1 52 52 LEU HD22 H 1 1.1810 . . 2 . . 55576 . . 52 LEU HD21 . 51377 1 400 . 1 . 1 52 52 LEU HD23 H 1 1.1810 . . 2 . . 55576 . . 52 LEU HD21 . 51377 1 401 . 1 . 1 52 52 LEU C C 13 176.5031 . . 1 . . 30015 . . 52 LEU C . 51377 1 402 . 1 . 1 52 52 LEU CA C 13 57.1546 . . 1 . . 27621 . . 52 LEU CA . 51377 1 403 . 1 . 1 52 52 LEU CB C 13 40.7801 . . 1 . . 27624 . . 52 LEU CB . 51377 1 404 . 1 . 1 52 52 LEU CD2 C 13 22.9255 . . 2 . . 49561 . . 52 LEU CD2 . 51377 1 405 . 1 . 1 52 52 LEU N N 15 122.1707 . . 1 . . 29258 . . 52 LEU N . 51377 1 406 . 1 . 1 53 53 GLU H H 1 8.3783 . . 1 . . 29365 . . 53 GLU H . 51377 1 407 . 1 . 1 53 53 GLU HA H 1 3.6920 . . 1 . . 55486 . . 53 GLU HA . 51377 1 408 . 1 . 1 53 53 GLU HB2 H 1 1.8520 . . 2 . . 55504 . . 53 GLU HB2 . 51377 1 409 . 1 . 1 53 53 GLU HB3 H 1 2.0060 . . 2 . . 55501 . . 53 GLU HB3 . 51377 1 410 . 1 . 1 53 53 GLU HG2 H 1 2.1440 . . 2 . . 55495 . . 53 GLU HG2 . 51377 1 411 . 1 . 1 53 53 GLU HG3 H 1 2.2620 . . 2 . . 55492 . . 53 GLU HG3 . 51377 1 412 . 1 . 1 53 53 GLU C C 13 175.7087 . . 1 . . 30207 . . 53 GLU C . 51377 1 413 . 1 . 1 53 53 GLU CA C 13 59.7747 . . 1 . . 28038 . . 53 GLU CA . 51377 1 414 . 1 . 1 53 53 GLU CB C 13 29.0545 . . 1 . . 28068 . . 53 GLU CB . 51377 1 415 . 1 . 1 53 53 GLU CG C 13 36.2612 . . 1 . . 49504 . . 53 GLU CG . 51377 1 416 . 1 . 1 53 53 GLU N N 15 117.8634 . . 1 . . 29366 . . 53 GLU N . 51377 1 417 . 1 . 1 54 54 ALA H H 1 7.4668 . . 1 . . 29338 . . 54 ALA H . 51377 1 418 . 1 . 1 54 54 ALA HA H 1 4.2870 . . 1 . . 55663 . . 54 ALA HA . 51377 1 419 . 1 . 1 54 54 ALA HB1 H 1 1.7010 . . 1 . . 55666 . . 54 ALA HB1 . 51377 1 420 . 1 . 1 54 54 ALA HB2 H 1 1.7010 . . 1 . . 55666 . . 54 ALA HB1 . 51377 1 421 . 1 . 1 54 54 ALA HB3 H 1 1.7010 . . 1 . . 55666 . . 54 ALA HB1 . 51377 1 422 . 1 . 1 54 54 ALA C C 13 178.7463 . . 1 . . 30156 . . 54 ALA C . 51377 1 423 . 1 . 1 54 54 ALA CA C 13 54.2541 . . 1 . . 28989 . . 54 ALA CA . 51377 1 424 . 1 . 1 54 54 ALA CB C 13 19.5801 . . 1 . . 28014 . . 54 ALA CB . 51377 1 425 . 1 . 1 54 54 ALA N N 15 118.6877 . . 1 . . 29339 . . 54 ALA N . 51377 1 426 . 1 . 1 55 55 VAL H H 1 7.4284 . . 1 . . 29395 . . 55 VAL H . 51377 1 427 . 1 . 1 55 55 VAL HA H 1 3.7330 . . 1 . . 55744 . . 55 VAL HA . 51377 1 428 . 1 . 1 55 55 VAL HB H 1 1.9440 . . 1 . . 55996 . . 55 VAL HB . 51377 1 429 . 1 . 1 55 55 VAL HG11 H 1 0.5560 . . 2 . . 55750 . . 55 VAL HG11 . 51377 1 430 . 1 . 1 55 55 VAL HG12 H 1 0.5560 . . 2 . . 55750 . . 55 VAL HG11 . 51377 1 431 . 1 . 1 55 55 VAL HG13 H 1 0.5560 . . 2 . . 55750 . . 55 VAL HG11 . 51377 1 432 . 1 . 1 55 55 VAL HG21 H 1 0.8440 . . 2 . . 55747 . . 55 VAL HG21 . 51377 1 433 . 1 . 1 55 55 VAL HG22 H 1 0.8440 . . 2 . . 55747 . . 55 VAL HG21 . 51377 1 434 . 1 . 1 55 55 VAL HG23 H 1 0.8440 . . 2 . . 55747 . . 55 VAL HG21 . 51377 1 435 . 1 . 1 55 55 VAL C C 13 174.8887 . . 1 . . 30261 . . 55 VAL C . 51377 1 436 . 1 . 1 55 55 VAL CA C 13 64.6021 . . 1 . . 28173 . . 55 VAL CA . 51377 1 437 . 1 . 1 55 55 VAL CB C 13 31.9531 . . 1 . . 28179 . . 55 VAL CB . 51377 1 438 . 1 . 1 55 55 VAL CG1 C 13 21.5381 . . 2 . . 49705 . . 55 VAL CG1 . 51377 1 439 . 1 . 1 55 55 VAL CG2 C 13 22.3635 . . 2 . . 49723 . . 55 VAL CG2 . 51377 1 440 . 1 . 1 55 55 VAL N N 15 116.6714 . . 1 . . 29396 . . 55 VAL N . 51377 1 441 . 1 . 1 56 56 ARG H H 1 7.5363 . . 1 . . 29851 . . 56 ARG H . 51377 1 442 . 1 . 1 56 56 ARG HA H 1 3.7620 . . 1 . . 55831 . . 56 ARG HA . 51377 1 443 . 1 . 1 56 56 ARG HB2 H 1 1.7430 . . 2 . . 55825 . . 56 ARG HB2 . 51377 1 444 . 1 . 1 56 56 ARG HB3 H 1 1.7430 . . 2 . . 55825 . . 56 ARG HB3 . 51377 1 445 . 1 . 1 56 56 ARG HG2 H 1 1.5230 . . 2 . . 55834 . . 56 ARG HG2 . 51377 1 446 . 1 . 1 56 56 ARG HG3 H 1 1.6350 . . 2 . . 55828 . . 56 ARG HG3 . 51377 1 447 . 1 . 1 56 56 ARG HD2 H 1 2.9020 . . 2 . . 55822 . . 56 ARG HD2 . 51377 1 448 . 1 . 1 56 56 ARG HD3 H 1 2.9020 . . 2 . . 55822 . . 56 ARG HD3 . 51377 1 449 . 1 . 1 56 56 ARG C C 13 173.6425 . . 1 . . 30303 . . 56 ARG C . 51377 1 450 . 1 . 1 56 56 ARG CA C 13 58.6373 . . 1 . . 29106 . . 56 ARG CA . 51377 1 451 . 1 . 1 56 56 ARG CB C 13 30.1344 . . 1 . . 28293 . . 56 ARG CB . 51377 1 452 . 1 . 1 56 56 ARG CG C 13 27.1369 . . 1 . . 49768 . . 56 ARG CG . 51377 1 453 . 1 . 1 56 56 ARG CD C 13 43.7008 . . 1 . . 49762 . . 56 ARG CD . 51377 1 454 . 1 . 1 56 56 ARG N N 15 115.4214 . . 1 . . 29852 . . 56 ARG N . 51377 1 455 . 1 . 1 57 57 ASN H H 1 7.1881 . . 1 . . 29887 . . 57 ASN H . 51377 1 456 . 1 . 1 57 57 ASN HA H 1 4.8570 . . 1 . . 55297 . . 57 ASN HA . 51377 1 457 . 1 . 1 57 57 ASN HB2 H 1 2.7000 . . 2 . . 55309 . . 57 ASN HB2 . 51377 1 458 . 1 . 1 57 57 ASN HB3 H 1 3.0480 . . 2 . . 55306 . . 57 ASN HB3 . 51377 1 459 . 1 . 1 57 57 ASN C C 13 173.3862 . . 1 . . 30339 . . 57 ASN C . 51377 1 460 . 1 . 1 57 57 ASN CA C 13 52.7635 . . 1 . . 28362 . . 57 ASN CA . 51377 1 461 . 1 . 1 57 57 ASN CB C 13 39.6364 . . 1 . . 28365 . . 57 ASN CB . 51377 1 462 . 1 . 1 57 57 ASN N N 15 113.7081 . . 1 . . 29888 . . 57 ASN N . 51377 1 463 . 1 . 1 58 58 MET H H 1 7.8311 . . 1 . . 29296 . . 58 MET H . 51377 1 464 . 1 . 1 58 58 MET HA H 1 4.4920 . . 1 . . 55837 . . 58 MET HA . 51377 1 465 . 1 . 1 58 58 MET HB2 H 1 2.0310 . . 2 . . 55846 . . 58 MET HB2 . 51377 1 466 . 1 . 1 58 58 MET HB3 H 1 2.2210 . . 2 . . 55843 . . 58 MET HB3 . 51377 1 467 . 1 . 1 58 58 MET HG2 H 1 2.3130 . . 2 . . 56304 . . 58 MET HG2 . 51377 1 468 . 1 . 1 58 58 MET HG3 H 1 2.7620 . . 2 . . 56307 . . 58 MET HG3 . 51377 1 469 . 1 . 1 58 58 MET C C 13 174.3172 . . 1 . . 30066 . . 58 MET C . 51377 1 470 . 1 . 1 58 58 MET CA C 13 57.6938 . . 1 . . 27753 . . 58 MET CA . 51377 1 471 . 1 . 1 58 58 MET CB C 13 35.6016 . . 1 . . 27762 . . 58 MET CB . 51377 1 472 . 1 . 1 58 58 MET CG C 13 33.3333 . . 1 . . 49780 . . 58 MET CG . 51377 1 473 . 1 . 1 58 58 MET N N 15 120.3932 . . 1 . . 29297 . . 58 MET N . 51377 1 474 . 1 . 1 59 59 THR H H 1 9.1688 . . 1 . . 29446 . . 59 THR H . 51377 1 475 . 1 . 1 59 59 THR HA H 1 4.6720 . . 1 . . 55354 . . 59 THR HA . 51377 1 476 . 1 . 1 59 59 THR HB H 1 4.7740 . . 1 . . 55351 . . 59 THR HB . 51377 1 477 . 1 . 1 59 59 THR HG21 H 1 1.3060 . . 1 . . 56310 . . 59 THR HG21 . 51377 1 478 . 1 . 1 59 59 THR HG22 H 1 1.3060 . . 1 . . 56310 . . 59 THR HG21 . 51377 1 479 . 1 . 1 59 59 THR HG23 H 1 1.3060 . . 1 . . 56310 . . 59 THR HG21 . 51377 1 480 . 1 . 1 59 59 THR CA C 13 59.7424 . . 1 . . 29157 . . 59 THR CA . 51377 1 481 . 1 . 1 59 59 THR CB C 13 72.6649 . . 1 . . 28371 . . 59 THR CB . 51377 1 482 . 1 . 1 59 59 THR CG2 C 13 21.5402 . . 1 . . 49411 . . 59 THR CG2 . 51377 1 483 . 1 . 1 59 59 THR N N 15 112.8816 . . 1 . . 29447 . . 59 THR N . 51377 1 484 . 1 . 1 60 60 LEU H H 1 8.4676 . . 1 . . 29305 . . 60 LEU H . 51377 1 485 . 1 . 1 60 60 LEU HA H 1 3.9450 . . 1 . . 55696 . . 60 LEU HA . 51377 1 486 . 1 . 1 60 60 LEU HB2 H 1 1.7160 . . 2 . . 55708 . . 60 LEU HB2 . 51377 1 487 . 1 . 1 60 60 LEU HB3 H 1 1.5580 . . 2 . . 55711 . . 60 LEU HB3 . 51377 1 488 . 1 . 1 60 60 LEU HG H 1 1.0420 . . 1 . . 56313 . . 60 LEU HG . 51377 1 489 . 1 . 1 60 60 LEU HD11 H 1 0.8710 . . 2 . . 55717 . . 60 LEU HD11 . 51377 1 490 . 1 . 1 60 60 LEU HD12 H 1 0.8710 . . 2 . . 55717 . . 60 LEU HD11 . 51377 1 491 . 1 . 1 60 60 LEU HD13 H 1 0.8710 . . 2 . . 55717 . . 60 LEU HD11 . 51377 1 492 . 1 . 1 60 60 LEU HD21 H 1 0.8710 . . 2 . . 55717 . . 60 LEU HD21 . 51377 1 493 . 1 . 1 60 60 LEU HD22 H 1 0.8710 . . 2 . . 55717 . . 60 LEU HD21 . 51377 1 494 . 1 . 1 60 60 LEU HD23 H 1 0.8710 . . 2 . . 55717 . . 60 LEU HD21 . 51377 1 495 . 1 . 1 60 60 LEU C C 13 177.1734 . . 1 . . 30087 . . 60 LEU C . 51377 1 496 . 1 . 1 60 60 LEU CA C 13 58.6257 . . 1 . . 28905 . . 60 LEU CA . 51377 1 497 . 1 . 1 60 60 LEU CB C 13 41.5585 . . 1 . . 27825 . . 60 LEU CB . 51377 1 498 . 1 . 1 60 60 LEU CG C 13 27.1390 . . 1 . . 49678 . . 60 LEU CG . 51377 1 499 . 1 . 1 60 60 LEU CD1 C 13 24.1979 . . 2 . . 49684 . . 60 LEU CD1 . 51377 1 500 . 1 . 1 60 60 LEU CD2 C 13 24.8461 . . 2 . . 49681 . . 60 LEU CD2 . 51377 1 501 . 1 . 1 60 60 LEU N N 15 119.9039 . . 1 . . 29306 . . 60 LEU N . 51377 1 502 . 1 . 1 61 61 ASP H H 1 7.8541 . . 1 . . 28252 . . 61 ASP H . 51377 1 503 . 1 . 1 61 61 ASP HA H 1 4.3360 . . 1 . . 55420 . . 61 ASP HA . 51377 1 504 . 1 . 1 61 61 ASP HB2 H 1 2.4970 . . 2 . . 55426 . . 61 ASP HB2 . 51377 1 505 . 1 . 1 61 61 ASP HB3 H 1 2.5570 . . 2 . . 55423 . . 61 ASP HB3 . 51377 1 506 . 1 . 1 61 61 ASP C C 13 177.0804 . . 1 . . 30279 . . 61 ASP C . 51377 1 507 . 1 . 1 61 61 ASP CA C 13 57.2699 . . 1 . . 40507 . . 61 ASP CA . 51377 1 508 . 1 . 1 61 61 ASP CB C 13 40.7439 . . 1 . . 28230 . . 61 ASP CB . 51377 1 509 . 1 . 1 61 61 ASP N N 15 115.8180 . . 1 . . 28253 . . 61 ASP N . 51377 1 510 . 1 . 1 62 62 ASP H H 1 7.5913 . . 1 . . 29323 . . 62 ASP H . 51377 1 511 . 1 . 1 62 62 ASP HA H 1 4.3680 . . 1 . . 55630 . . 62 ASP HA . 51377 1 512 . 1 . 1 62 62 ASP HB2 H 1 2.5820 . . 2 . . 55627 . . 62 ASP HB2 . 51377 1 513 . 1 . 1 62 62 ASP HB3 H 1 3.0060 . . 2 . . 55636 . . 62 ASP HB3 . 51377 1 514 . 1 . 1 62 62 ASP C C 13 175.4396 . . 1 . . 30129 . . 62 ASP C . 51377 1 515 . 1 . 1 62 62 ASP CA C 13 57.7074 . . 1 . . 27879 . . 62 ASP CA . 51377 1 516 . 1 . 1 62 62 ASP CB C 13 41.3747 . . 1 . . 27888 . . 62 ASP CB . 51377 1 517 . 1 . 1 62 62 ASP N N 15 119.4035 . . 1 . . 29324 . . 62 ASP N . 51377 1 518 . 1 . 1 63 63 LEU H H 1 7.6162 . . 1 . . 29383 . . 63 LEU H . 51377 1 519 . 1 . 1 63 63 LEU HA H 1 3.7110 . . 1 . . 55375 . . 63 LEU HA . 51377 1 520 . 1 . 1 63 63 LEU HB2 H 1 1.8210 . . 2 . . 55381 . . 63 LEU HB2 . 51377 1 521 . 1 . 1 63 63 LEU HB3 H 1 2.1090 . . 2 . . 55378 . . 63 LEU HB3 . 51377 1 522 . 1 . 1 63 63 LEU HG H 1 1.2190 . . 1 . . 55387 . . 63 LEU HG . 51377 1 523 . 1 . 1 63 63 LEU HD11 H 1 0.8280 . . 2 . . 55393 . . 63 LEU HD11 . 51377 1 524 . 1 . 1 63 63 LEU HD12 H 1 0.8280 . . 2 . . 55393 . . 63 LEU HD11 . 51377 1 525 . 1 . 1 63 63 LEU HD13 H 1 0.8280 . . 2 . . 55393 . . 63 LEU HD11 . 51377 1 526 . 1 . 1 63 63 LEU HD21 H 1 0.9620 . . 2 . . 55390 . . 63 LEU HD21 . 51377 1 527 . 1 . 1 63 63 LEU HD22 H 1 0.9620 . . 2 . . 55390 . . 63 LEU HD21 . 51377 1 528 . 1 . 1 63 63 LEU HD23 H 1 0.9620 . . 2 . . 55390 . . 63 LEU HD21 . 51377 1 529 . 1 . 1 63 63 LEU C C 13 175.9153 . . 1 . . 30234 . . 63 LEU C . 51377 1 530 . 1 . 1 63 63 LEU CA C 13 57.6196 . . 1 . . . . . 63 LEU CA . 51377 1 531 . 1 . 1 63 63 LEU CB C 13 40.7649 . . 1 . . 28134 . . 63 LEU CB . 51377 1 532 . 1 . 1 63 63 LEU CG C 13 27.1781 . . 1 . . 49420 . . 63 LEU CG . 51377 1 533 . 1 . 1 63 63 LEU CD2 C 13 23.6061 . . 2 . . 73821 . . 63 LEU CD2 . 51377 1 534 . 1 . 1 63 63 LEU N N 15 117.5001 . . 1 . . 29384 . . 63 LEU N . 51377 1 535 . 1 . 1 64 64 ALA H H 1 7.8768 . . 1 . . 27781 . . 64 ALA H . 51377 1 536 . 1 . 1 64 64 ALA HA H 1 3.8450 . . 1 . . 55372 . . 64 ALA HA . 51377 1 537 . 1 . 1 64 64 ALA HB1 H 1 1.3800 . . 1 . . 55384 . . 64 ALA HB1 . 51377 1 538 . 1 . 1 64 64 ALA HB2 H 1 1.3800 . . 1 . . 55384 . . 64 ALA HB1 . 51377 1 539 . 1 . 1 64 64 ALA HB3 H 1 1.3800 . . 1 . . 55384 . . 64 ALA HB1 . 51377 1 540 . 1 . 1 64 64 ALA C C 13 179.7440 . . 1 . . 30102 . . 64 ALA C . 51377 1 541 . 1 . 1 64 64 ALA CA C 13 54.9121 . . 1 . . 28917 . . 64 ALA CA . 51377 1 542 . 1 . 1 64 64 ALA CB C 13 17.7138 . . 1 . . 27834 . . 64 ALA CB . 51377 1 543 . 1 . 1 64 64 ALA N N 15 119.7483 . . 1 . . 27782 . . 64 ALA N . 51377 1 544 . 1 . 1 65 65 ARG H H 1 7.9648 . . 1 . . 27844 . . 65 ARG H . 51377 1 545 . 1 . 1 65 65 ARG HA H 1 4.0010 . . 1 . . 55894 . . 65 ARG HA . 51377 1 546 . 1 . 1 65 65 ARG HB2 H 1 1.9770 . . 2 . . 55903 . . 65 ARG HB2 . 51377 1 547 . 1 . 1 65 65 ARG HB3 H 1 2.0700 . . 2 . . 55900 . . 65 ARG HB3 . 51377 1 548 . 1 . 1 65 65 ARG HG2 H 1 1.6770 . . 2 . . 55906 . . 65 ARG HG2 . 51377 1 549 . 1 . 1 65 65 ARG HG3 H 1 1.6770 . . 2 . . 55906 . . 65 ARG HG3 . 51377 1 550 . 1 . 1 65 65 ARG HD2 H 1 3.2290 . . 2 . . 56008 . . 65 ARG HD2 . 51377 1 551 . 1 . 1 65 65 ARG HD3 H 1 3.3510 . . 2 . . 55897 . . 65 ARG HD3 . 51377 1 552 . 1 . 1 65 65 ARG C C 13 176.6308 . . 1 . . 30108 . . 65 ARG C . 51377 1 553 . 1 . 1 65 65 ARG CA C 13 59.3488 . . 1 . . 27840 . . 65 ARG CA . 51377 1 554 . 1 . 1 65 65 ARG CB C 13 29.9081 . . 1 . . 27870 . . 65 ARG CB . 51377 1 555 . 1 . 1 65 65 ARG CG C 13 27.8199 . . 1 . . 49834 . . 65 ARG CG . 51377 1 556 . 1 . 1 65 65 ARG CD C 13 43.1753 . . 1 . . 49828 . . 65 ARG CD . 51377 1 557 . 1 . 1 65 65 ARG N N 15 119.6892 . . 1 . . 27845 . . 65 ARG N . 51377 1 558 . 1 . 1 66 66 ILE H H 1 7.4041 . . 1 . . 29935 . . 66 ILE H . 51377 1 559 . 1 . 1 66 66 ILE HA H 1 4.5090 . . 1 . . 55918 . . 66 ILE HA . 51377 1 560 . 1 . 1 66 66 ILE HB H 1 2.0920 . . 1 . . 55921 . . 66 ILE HB . 51377 1 561 . 1 . 1 66 66 ILE HG12 H 1 1.3710 . . 2 . . 56014 . . 66 ILE HG12 . 51377 1 562 . 1 . 1 66 66 ILE HG13 H 1 1.3710 . . 2 . . 56014 . . 66 ILE HG13 . 51377 1 563 . 1 . 1 66 66 ILE HG21 H 1 0.9100 . . 1 . . 55924 . . 66 ILE HG21 . 51377 1 564 . 1 . 1 66 66 ILE HG22 H 1 0.9100 . . 1 . . 55924 . . 66 ILE HG21 . 51377 1 565 . 1 . 1 66 66 ILE HG23 H 1 0.9100 . . 1 . . 55924 . . 66 ILE HG21 . 51377 1 566 . 1 . 1 66 66 ILE HD11 H 1 0.9100 . . 1 . . 55924 . . 66 ILE HD11 . 51377 1 567 . 1 . 1 66 66 ILE HD12 H 1 0.9100 . . 1 . . 55924 . . 66 ILE HD11 . 51377 1 568 . 1 . 1 66 66 ILE HD13 H 1 0.9100 . . 1 . . 55924 . . 66 ILE HD11 . 51377 1 569 . 1 . 1 66 66 ILE C C 13 174.0342 . . 1 . . 30366 . . 66 ILE C . 51377 1 570 . 1 . 1 66 66 ILE CA C 13 61.5747 . . 1 . . 28446 . . 66 ILE CA . 51377 1 571 . 1 . 1 66 66 ILE CB C 13 37.1286 . . 1 . . 28452 . . 66 ILE CB . 51377 1 572 . 1 . 1 66 66 ILE CG1 C 13 25.7495 . . 1 . . 49846 . . 66 ILE CG1 . 51377 1 573 . 1 . 1 66 66 ILE CG2 C 13 17.4562 . . 1 . . 49849 . . 66 ILE CG2 . 51377 1 574 . 1 . 1 66 66 ILE CD1 C 13 13.4793 . . 1 . . 56011 . . 66 ILE CD1 . 51377 1 575 . 1 . 1 66 66 ILE N N 15 109.5622 . . 1 . . 29936 . . 66 ILE N . 51377 1 576 . 1 . 1 67 67 GLY H H 1 7.6517 . . 1 . . 29473 . . 67 GLY H . 51377 1 577 . 1 . 1 67 67 GLY HA2 H 1 3.6320 . . 2 . . 55192 . . 67 GLY HA2 . 51377 1 578 . 1 . 1 67 67 GLY HA3 H 1 4.2980 . . 2 . . 55189 . . 67 GLY HA3 . 51377 1 579 . 1 . 1 67 67 GLY C C 13 171.6400 . . 1 . . 30375 . . 67 GLY C . 51377 1 580 . 1 . 1 67 67 GLY CA C 13 45.5236 . . 1 . . 29208 . . 67 GLY CA . 51377 1 581 . 1 . 1 67 67 GLY N N 15 107.7461 . . 1 . . 29474 . . 67 GLY N . 51377 1 582 . 1 . 1 68 68 ILE H H 1 7.9768 . . 1 . . 29254 . . 68 ILE H . 51377 1 583 . 1 . 1 68 68 ILE HA H 1 3.9710 . . 1 . . 55777 . . 68 ILE HA . 51377 1 584 . 1 . 1 68 68 ILE HG12 H 1 1.5360 . . 2 . . 55780 . . 68 ILE HG12 . 51377 1 585 . 1 . 1 68 68 ILE HG13 H 1 1.5360 . . 2 . . 55780 . . 68 ILE HG13 . 51377 1 586 . 1 . 1 68 68 ILE HG21 H 1 0.8610 . . 1 . . 56020 . . 68 ILE HG21 . 51377 1 587 . 1 . 1 68 68 ILE HG22 H 1 0.8610 . . 1 . . 56020 . . 68 ILE HG21 . 51377 1 588 . 1 . 1 68 68 ILE HG23 H 1 0.8610 . . 1 . . 56020 . . 68 ILE HG21 . 51377 1 589 . 1 . 1 68 68 ILE HD11 H 1 0.3650 . . 1 . . 55774 . . 68 ILE HD11 . 51377 1 590 . 1 . 1 68 68 ILE HD12 H 1 0.3650 . . 1 . . 55774 . . 68 ILE HD11 . 51377 1 591 . 1 . 1 68 68 ILE HD13 H 1 0.3650 . . 1 . . 55774 . . 68 ILE HD11 . 51377 1 592 . 1 . 1 68 68 ILE C C 13 172.3482 . . 1 . . 44615 . . 68 ILE C . 51377 1 593 . 1 . 1 68 68 ILE CA C 13 60.6995 . . 1 . . 44611 . . 68 ILE CA . 51377 1 594 . 1 . 1 68 68 ILE CB C 13 35.1088 . . 1 . . 44619 . . 68 ILE CB . 51377 1 595 . 1 . 1 68 68 ILE CG1 C 13 26.2044 . . 1 . . 49732 . . 68 ILE CG1 . 51377 1 596 . 1 . 1 68 68 ILE CG2 C 13 17.0291 . . 1 . . 49735 . . 68 ILE CG2 . 51377 1 597 . 1 . 1 68 68 ILE CD1 C 13 15.4644 . . 1 . . 56017 . . 68 ILE CD1 . 51377 1 598 . 1 . 1 68 68 ILE N N 15 123.0537 . . 1 . . 29255 . . 68 ILE N . 51377 1 599 . 1 . 1 69 69 THR H H 1 7.8734 . . 1 . . 29863 . . 69 THR H . 51377 1 600 . 1 . 1 69 69 THR HA H 1 4.2380 . . 1 . . 55126 . . 69 THR HA . 51377 1 601 . 1 . 1 69 69 THR HB H 1 4.0970 . . 1 . . 55120 . . 69 THR HB . 51377 1 602 . 1 . 1 69 69 THR HG21 H 1 1.0960 . . 1 . . 55129 . . 69 THR HG21 . 51377 1 603 . 1 . 1 69 69 THR HG22 H 1 1.0960 . . 1 . . 55129 . . 69 THR HG21 . 51377 1 604 . 1 . 1 69 69 THR HG23 H 1 1.0960 . . 1 . . 55129 . . 69 THR HG21 . 51377 1 605 . 1 . 1 69 69 THR C C 13 173.0953 . . 1 . . 44647 . . 69 THR C . 51377 1 606 . 1 . 1 69 69 THR CA C 13 62.0079 . . 1 . . 28311 . . 69 THR CA . 51377 1 607 . 1 . 1 69 69 THR CB C 13 69.4473 . . 1 . . 44651 . . 69 THR CB . 51377 1 608 . 1 . 1 69 69 THR CG2 C 13 21.8098 . . 1 . . 49243 . . 69 THR CG2 . 51377 1 609 . 1 . 1 69 69 THR N N 15 115.1106 . . 1 . . 29864 . . 69 THR N . 51377 1 610 . 1 . 1 70 70 ALA H H 1 8.0537 . . 1 . . 29230 . . 70 ALA H . 51377 1 611 . 1 . 1 70 70 ALA HA H 1 4.3340 . . 1 . . 55102 . . 70 ALA HA . 51377 1 612 . 1 . 1 70 70 ALA HB1 H 1 1.0400 . . 1 . . 55105 . . 70 ALA HB1 . 51377 1 613 . 1 . 1 70 70 ALA HB2 H 1 1.0400 . . 1 . . 55105 . . 70 ALA HB1 . 51377 1 614 . 1 . 1 70 70 ALA HB3 H 1 1.0400 . . 1 . . 55105 . . 70 ALA HB1 . 51377 1 615 . 1 . 1 70 70 ALA C C 13 176.6177 . . 1 . . 44569 . . 70 ALA C . 51377 1 616 . 1 . 1 70 70 ALA CA C 13 52.0070 . . 1 . . 30684 . . 70 ALA CA . 51377 1 617 . 1 . 1 70 70 ALA CB C 13 17.4487 . . 1 . . 44573 . . 70 ALA CB . 51377 1 618 . 1 . 1 70 70 ALA N N 15 126.0270 . . 1 . . 29231 . . 70 ALA N . 51377 1 619 . 1 . 1 71 71 ILE H H 1 8.5761 . . 1 . . 29227 . . 71 ILE H . 51377 1 620 . 1 . 1 71 71 ILE HA H 1 3.7590 . . 1 . . 55861 . . 71 ILE HA . 51377 1 621 . 1 . 1 71 71 ILE HB H 1 1.9000 . . 1 . . 55864 . . 71 ILE HB . 51377 1 622 . 1 . 1 71 71 ILE HG12 H 1 1.3440 . . 2 . . 55870 . . 71 ILE HG12 . 51377 1 623 . 1 . 1 71 71 ILE HG13 H 1 1.5670 . . 2 . . 55867 . . 71 ILE HG13 . 51377 1 624 . 1 . 1 71 71 ILE HG21 H 1 0.9710 . . 1 . . 55873 . . 71 ILE HG21 . 51377 1 625 . 1 . 1 71 71 ILE HG22 H 1 0.9710 . . 1 . . 55873 . . 71 ILE HG21 . 51377 1 626 . 1 . 1 71 71 ILE HG23 H 1 0.9710 . . 1 . . 55873 . . 71 ILE HG21 . 51377 1 627 . 1 . 1 71 71 ILE HD11 H 1 0.7780 . . 1 . . 56023 . . 71 ILE HD11 . 51377 1 628 . 1 . 1 71 71 ILE HD12 H 1 0.7780 . . 1 . . 56023 . . 71 ILE HD11 . 51377 1 629 . 1 . 1 71 71 ILE HD13 H 1 0.7780 . . 1 . . 56023 . . 71 ILE HD11 . 51377 1 630 . 1 . 1 71 71 ILE C C 13 175.6958 . . 1 . . 44585 . . 71 ILE C . 51377 1 631 . 1 . 1 71 71 ILE CA C 13 64.1528 . . 1 . . 44581 . . 71 ILE CA . 51377 1 632 . 1 . 1 71 71 ILE CB C 13 37.8536 . . 1 . . 44589 . . 71 ILE CB . 51377 1 633 . 1 . 1 71 71 ILE CG1 C 13 28.4405 . . 1 . . 49801 . . 71 ILE CG1 . 51377 1 634 . 1 . 1 71 71 ILE CG2 C 13 17.5082 . . 1 . . 49804 . . 71 ILE CG2 . 51377 1 635 . 1 . 1 71 71 ILE N N 15 128.3665 . . 1 . . 29228 . . 71 ILE N . 51377 1 636 . 1 . 1 72 72 THR H H 1 8.1662 . . 1 . . 29452 . . 72 THR H . 51377 1 637 . 1 . 1 72 72 THR HB H 1 4.1620 . . 1 . . 55288 . . 72 THR HB . 51377 1 638 . 1 . 1 72 72 THR HG21 H 1 1.3320 . . 1 . . 55291 . . 72 THR HG21 . 51377 1 639 . 1 . 1 72 72 THR HG22 H 1 1.3320 . . 1 . . 55291 . . 72 THR HG21 . 51377 1 640 . 1 . 1 72 72 THR HG23 H 1 1.3320 . . 1 . . 55291 . . 72 THR HG21 . 51377 1 641 . 1 . 1 72 72 THR C C 13 175.8508 . . 1 . . 44599 . . 72 THR C . 51377 1 642 . 1 . 1 72 72 THR CA C 13 64.9977 . . 1 . . 44597 . . 72 THR CA . 51377 1 643 . 1 . 1 72 72 THR CB C 13 68.2287 . . 1 . . 44603 . . 72 THR CB . 51377 1 644 . 1 . 1 72 72 THR CG2 C 13 22.5956 . . 1 . . 49372 . . 72 THR CG2 . 51377 1 645 . 1 . 1 72 72 THR N N 15 110.7240 . . 1 . . 29453 . . 72 THR N . 51377 1 646 . 1 . 1 73 73 HIS H H 1 6.7647 . . 1 . . 29578 . . 73 HIS H . 51377 1 647 . 1 . 1 73 73 HIS HA H 1 4.6120 . . 1 . . 55537 . . 73 HIS HA . 51377 1 648 . 1 . 1 73 73 HIS HB2 H 1 3.2550 . . 2 . . 55543 . . 73 HIS HB2 . 51377 1 649 . 1 . 1 73 73 HIS HB3 H 1 3.2550 . . 2 . . 55543 . . 73 HIS HB3 . 51377 1 650 . 1 . 1 73 73 HIS C C 13 175.0524 . . 1 . . 44631 . . 73 HIS C . 51377 1 651 . 1 . 1 73 73 HIS CA C 13 57.2092 . . 1 . . 27744 . . 73 HIS CA . 51377 1 652 . 1 . 1 73 73 HIS CB C 13 31.1849 . . 1 . . 44635 . . 73 HIS CB . 51377 1 653 . 1 . 1 73 73 HIS N N 15 120.6771 . . 1 . . 29579 . . 73 HIS N . 51377 1 654 . 1 . 1 74 74 GLN H H 1 8.4222 . . 1 . . 35260 . . 74 GLN H . 51377 1 655 . 1 . 1 74 74 GLN HA H 1 3.6560 . . 1 . . 55792 . . 74 GLN HA . 51377 1 656 . 1 . 1 74 74 GLN HB2 H 1 1.8740 . . 2 . . 55798 . . 74 GLN HB2 . 51377 1 657 . 1 . 1 74 74 GLN HB3 H 1 1.8740 . . 2 . . 55798 . . 74 GLN HB3 . 51377 1 658 . 1 . 1 74 74 GLN HG2 H 1 2.3380 . . 2 . . 55795 . . 74 GLN HG2 . 51377 1 659 . 1 . 1 74 74 GLN HG3 H 1 2.3380 . . 2 . . 55795 . . 74 GLN HG3 . 51377 1 660 . 1 . 1 74 74 GLN C C 13 175.8800 . . 1 . . 44663 . . 74 GLN C . 51377 1 661 . 1 . 1 74 74 GLN CA C 13 59.7935 . . 1 . . . . . 74 GLN CA . 51377 1 662 . 1 . 1 74 74 GLN CB C 13 28.1174 . . 1 . . 44667 . . 74 GLN CB . 51377 1 663 . 1 . 1 74 74 GLN CG C 13 33.5400 . . 1 . . 49744 . . 74 GLN CG . 51377 1 664 . 1 . 1 74 74 GLN N N 15 117.9768 . . 1 . . 35261 . . 74 GLN N . 51377 1 665 . 1 . 1 75 75 ASN H H 1 8.3748 . . 1 . . 29431 . . 75 ASN H . 51377 1 666 . 1 . 1 75 75 ASN HA H 1 4.4500 . . 1 . . 55402 . . 75 ASN HA . 51377 1 667 . 1 . 1 75 75 ASN HB2 H 1 2.8280 . . 2 . . 55411 . . 75 ASN HB2 . 51377 1 668 . 1 . 1 75 75 ASN HB3 H 1 2.9060 . . 2 . . 55408 . . 75 ASN HB3 . 51377 1 669 . 1 . 1 75 75 ASN C C 13 175.0776 . . 1 . . 30327 . . 75 ASN C . 51377 1 670 . 1 . 1 75 75 ASN CA C 13 56.1221 . . 1 . . 29133 . . 75 ASN CA . 51377 1 671 . 1 . 1 75 75 ASN CB C 13 38.0638 . . 1 . . 28326 . . 75 ASN CB . 51377 1 672 . 1 . 1 75 75 ASN N N 15 114.9193 . . 1 . . 29432 . . 75 ASN N . 51377 1 673 . 1 . 1 76 76 LYS H H 1 7.7035 . . 1 . . 29317 . . 76 LYS H . 51377 1 674 . 1 . 1 76 76 LYS HA H 1 4.2300 . . 1 . . 55435 . . 76 LYS HA . 51377 1 675 . 1 . 1 76 76 LYS HB2 H 1 2.0040 . . 2 . . 55450 . . 76 LYS HB2 . 51377 1 676 . 1 . 1 76 76 LYS HB3 H 1 2.1050 . . 2 . . 55447 . . 76 LYS HB3 . 51377 1 677 . 1 . 1 76 76 LYS HD2 H 1 1.5570 . . 2 . . 55453 . . 76 LYS HD2 . 51377 1 678 . 1 . 1 76 76 LYS HD3 H 1 1.7960 . . 2 . . 56328 . . 76 LYS HD3 . 51377 1 679 . 1 . 1 76 76 LYS C C 13 177.7150 . . 1 . . 30114 . . 76 LYS C . 51377 1 680 . 1 . 1 76 76 LYS CA C 13 59.0728 . . 1 . . 28935 . . 76 LYS CA . 51377 1 681 . 1 . 1 76 76 LYS CB C 13 32.5055 . . 1 . . 27867 . . 76 LYS CB . 51377 1 682 . 1 . 1 76 76 LYS CG C 13 25.0463 . . 1 . . 49471 . . 76 LYS CG . 51377 1 683 . 1 . 1 76 76 LYS CD C 13 28.9942 . . 1 . . 56319 . . 76 LYS CD . 51377 1 684 . 1 . 1 76 76 LYS N N 15 119.5384 . . 1 . . 29318 . . 76 LYS N . 51377 1 685 . 1 . 1 77 77 ILE H H 1 8.2967 . . 1 . . 27910 . . 77 ILE H . 51377 1 686 . 1 . 1 77 77 ILE HA H 1 3.5970 . . 1 . . 55336 . . 77 ILE HA . 51377 1 687 . 1 . 1 77 77 ILE HB H 1 1.9430 . . 1 . . 55339 . . 77 ILE HB . 51377 1 688 . 1 . 1 77 77 ILE HG12 H 1 1.1740 . . 2 . . 55342 . . 77 ILE HG12 . 51377 1 689 . 1 . 1 77 77 ILE HG13 H 1 1.1740 . . 2 . . 55342 . . 77 ILE HG13 . 51377 1 690 . 1 . 1 77 77 ILE HG21 H 1 0.9030 . . 1 . . 56334 . . 77 ILE HG21 . 51377 1 691 . 1 . 1 77 77 ILE HG22 H 1 0.9030 . . 1 . . 56334 . . 77 ILE HG21 . 51377 1 692 . 1 . 1 77 77 ILE HG23 H 1 0.9030 . . 1 . . 56334 . . 77 ILE HG21 . 51377 1 693 . 1 . 1 77 77 ILE C C 13 175.6145 . . 1 . . 30135 . . 77 ILE C . 51377 1 694 . 1 . 1 77 77 ILE CA C 13 66.0747 . . 1 . . 27903 . . 77 ILE CA . 51377 1 695 . 1 . 1 77 77 ILE CB C 13 37.8492 . . 1 . . 27936 . . 77 ILE CB . 51377 1 696 . 1 . 1 77 77 ILE CG1 C 13 30.6436 . . 1 . . 56331 . . 77 ILE CG1 . 51377 1 697 . 1 . 1 77 77 ILE CG2 C 13 18.4480 . . 1 . . 49396 . . 77 ILE CG2 . 51377 1 698 . 1 . 1 77 77 ILE N N 15 119.2986 . . 1 . . 27911 . . 77 ILE N . 51377 1 699 . 1 . 1 78 78 GLN H H 1 8.7871 . . 1 . . 29302 . . 78 GLN H . 51377 1 700 . 1 . 1 78 78 GLN HA H 1 3.9680 . . 1 . . 55555 . . 78 GLN HA . 51377 1 701 . 1 . 1 78 78 GLN HB2 H 1 2.1240 . . 2 . . 55564 . . 78 GLN HB2 . 51377 1 702 . 1 . 1 78 78 GLN HB3 H 1 2.1240 . . 2 . . 55564 . . 78 GLN HB3 . 51377 1 703 . 1 . 1 78 78 GLN HG2 H 1 2.2320 . . 2 . . 55561 . . 78 GLN HG2 . 51377 1 704 . 1 . 1 78 78 GLN HG3 H 1 2.4110 . . 2 . . 55558 . . 78 GLN HG3 . 51377 1 705 . 1 . 1 78 78 GLN C C 13 176.3165 . . 1 . . 30081 . . 78 GLN C . 51377 1 706 . 1 . 1 78 78 GLN CA C 13 59.7688 . . 1 . . 27795 . . 78 GLN CA . 51377 1 707 . 1 . 1 78 78 GLN CB C 13 29.0720 . . 1 . . 27804 . . 78 GLN CB . 51377 1 708 . 1 . 1 78 78 GLN CG C 13 34.4783 . . 1 . . 49543 . . 78 GLN CG . 51377 1 709 . 1 . 1 78 78 GLN N N 15 120.0416 . . 1 . . 29303 . . 78 GLN N . 51377 1 710 . 1 . 1 79 79 ASP H H 1 8.4278 . . 1 . . 35224 . . 79 ASP H . 51377 1 711 . 1 . 1 79 79 ASP HA H 1 4.4790 . . 1 . . 55813 . . 79 ASP HA . 51377 1 712 . 1 . 1 79 79 ASP HB2 H 1 2.7160 . . 2 . . 55819 . . 79 ASP HB2 . 51377 1 713 . 1 . 1 79 79 ASP HB3 H 1 2.8970 . . 2 . . 55816 . . 79 ASP HB3 . 51377 1 714 . 1 . 1 79 79 ASP C C 13 176.6757 . . 1 . . 35250 . . 79 ASP C . 51377 1 715 . 1 . 1 79 79 ASP CA C 13 57.3731 . . 1 . . 35259 . . 79 ASP CA . 51377 1 716 . 1 . 1 79 79 ASP CB C 13 40.6268 . . 1 . . 35238 . . 79 ASP CB . 51377 1 717 . 1 . 1 79 79 ASP N N 15 117.9863 . . 1 . . 35225 . . 79 ASP N . 51377 1 718 . 1 . 1 80 80 SER H H 1 7.6749 . . 1 . . 29440 . . 80 SER H . 51377 1 719 . 1 . 1 80 80 SER HA H 1 4.3150 . . 1 . . 56337 . . 80 SER HA . 51377 1 720 . 1 . 1 80 80 SER HB2 H 1 4.2130 . . 2 . . 55153 . . 80 SER HB2 . 51377 1 721 . 1 . 1 80 80 SER HB3 H 1 4.2130 . . 2 . . 55153 . . 80 SER HB3 . 51377 1 722 . 1 . 1 80 80 SER CA C 13 61.8830 . . 1 . . 56343 . . 80 SER CA . 51377 1 723 . 1 . 1 80 80 SER CB C 13 63.4207 . . 1 . . 28347 . . 80 SER CB . 51377 1 724 . 1 . 1 80 80 SER N N 15 113.9877 . . 1 . . 29441 . . 80 SER N . 51377 1 725 . 1 . 1 81 81 ILE H H 1 8.6957 . . 1 . . 29242 . . 81 ILE H . 51377 1 726 . 1 . 1 81 81 ILE HA H 1 3.5340 . . 1 . . 55489 . . 81 ILE HA . 51377 1 727 . 1 . 1 81 81 ILE HB H 1 2.0300 . . 1 . . 55498 . . 81 ILE HB . 51377 1 728 . 1 . 1 81 81 ILE HG21 H 1 0.9040 . . 1 . . 55513 . . 81 ILE HG21 . 51377 1 729 . 1 . 1 81 81 ILE HG22 H 1 0.9040 . . 1 . . 55513 . . 81 ILE HG21 . 51377 1 730 . 1 . 1 81 81 ILE HG23 H 1 0.9040 . . 1 . . 55513 . . 81 ILE HG21 . 51377 1 731 . 1 . 1 81 81 ILE C C 13 175.7453 . . 1 . . 29991 . . 81 ILE C . 51377 1 732 . 1 . 1 81 81 ILE CA C 13 65.9199 . . 1 . . 27579 . . 81 ILE CA . 51377 1 733 . 1 . 1 81 81 ILE CB C 13 37.7123 . . 1 . . 27582 . . 81 ILE CB . 51377 1 734 . 1 . 1 81 81 ILE CG1 C 13 30.2013 . . 1 . . 56346 . . 81 ILE CG1 . 51377 1 735 . 1 . 1 81 81 ILE CG2 C 13 17.8730 . . 1 . . 49510 . . 81 ILE CG2 . 51377 1 736 . 1 . 1 81 81 ILE N N 15 123.5628 . . 1 . . 29243 . . 81 ILE N . 51377 1 737 . 1 . 1 82 82 ASP H H 1 8.2425 . . 1 . . 27985 . . 82 ASP H . 51377 1 738 . 1 . 1 82 82 ASP HA H 1 4.4380 . . 1 . . 55582 . . 82 ASP HA . 51377 1 739 . 1 . 1 82 82 ASP HB2 H 1 2.7410 . . 2 . . 55591 . . 82 ASP HB2 . 51377 1 740 . 1 . 1 82 82 ASP HB3 H 1 2.9160 . . 2 . . 55588 . . 82 ASP HB3 . 51377 1 741 . 1 . 1 82 82 ASP C C 13 176.5216 . . 1 . . 30171 . . 82 ASP C . 51377 1 742 . 1 . 1 82 82 ASP CA C 13 57.4868 . . 1 . . 28983 . . 82 ASP CA . 51377 1 743 . 1 . 1 82 82 ASP CB C 13 40.6864 . . 1 . . 27993 . . 82 ASP CB . 51377 1 744 . 1 . 1 82 82 ASP N N 15 118.6318 . . 1 . . 27986 . . 82 ASP N . 51377 1 745 . 1 . 1 83 83 GLN H H 1 7.7027 . . 1 . . 28081 . . 83 GLN H . 51377 1 746 . 1 . 1 83 83 GLN HA H 1 4.2050 . . 1 . . 55357 . . 83 GLN HA . 51377 1 747 . 1 . 1 83 83 GLN HB2 H 1 2.2950 . . 2 . . 55348 . . 83 GLN HB2 . 51377 1 748 . 1 . 1 83 83 GLN HB3 H 1 2.3730 . . 2 . . 55345 . . 83 GLN HB3 . 51377 1 749 . 1 . 1 83 83 GLN HG2 H 1 2.4720 . . 2 . . 55363 . . 83 GLN HG2 . 51377 1 750 . 1 . 1 83 83 GLN HG3 H 1 2.5920 . . 2 . . 55360 . . 83 GLN HG3 . 51377 1 751 . 1 . 1 83 83 GLN C C 13 175.6398 . . 1 . . 30231 . . 83 GLN C . 51377 1 752 . 1 . 1 83 83 GLN CA C 13 58.1585 . . 1 . . 29034 . . 83 GLN CA . 51377 1 753 . 1 . 1 83 83 GLN CB C 13 28.8831 . . 1 . . 28119 . . 83 GLN CB . 51377 1 754 . 1 . 1 83 83 GLN CG C 13 33.8955 . . 1 . . 49405 . . 83 GLN CG . 51377 1 755 . 1 . 1 83 83 GLN N N 15 117.6725 . . 1 . . 28082 . . 83 GLN N . 51377 1 756 . 1 . 1 84 84 ILE H H 1 8.0612 . . 1 . . 29308 . . 84 ILE H . 51377 1 757 . 1 . 1 84 84 ILE HA H 1 3.8860 . . 1 . . 55369 . . 84 ILE HA . 51377 1 758 . 1 . 1 84 84 ILE HB H 1 1.9000 . . 1 . . 55396 . . 84 ILE HB . 51377 1 759 . 1 . 1 84 84 ILE HD11 H 1 0.6690 . . 1 . . 55399 . . 84 ILE HD11 . 51377 1 760 . 1 . 1 84 84 ILE HD12 H 1 0.6690 . . 1 . . 55399 . . 84 ILE HD11 . 51377 1 761 . 1 . 1 84 84 ILE HD13 H 1 0.6690 . . 1 . . 55399 . . 84 ILE HD11 . 51377 1 762 . 1 . 1 84 84 ILE C C 13 176.1606 . . 1 . . 30090 . . 84 ILE C . 51377 1 763 . 1 . 1 84 84 ILE CA C 13 64.7454 . . 1 . . 27810 . . 84 ILE CA . 51377 1 764 . 1 . 1 84 84 ILE CB C 13 38.0790 . . 1 . . 56349 . . 84 ILE CB . 51377 1 765 . 1 . 1 84 84 ILE CG2 C 13 17.5257 . . 1 . . 56352 . . 84 ILE CG2 . 51377 1 766 . 1 . 1 84 84 ILE N N 15 119.8595 . . 1 . . 29309 . . 84 ILE N . 51377 1 767 . 1 . 1 85 85 ILE H H 1 8.2245 . . 1 . . 29314 . . 85 ILE H . 51377 1 768 . 1 . 1 85 85 ILE HA H 1 3.7260 . . 1 . . 55618 . . 85 ILE HA . 51377 1 769 . 1 . 1 85 85 ILE HB H 1 1.9100 . . 1 . . 55621 . . 85 ILE HB . 51377 1 770 . 1 . 1 85 85 ILE HG21 H 1 0.7810 . . 1 . . 55615 . . 85 ILE HG21 . 51377 1 771 . 1 . 1 85 85 ILE HG22 H 1 0.7810 . . 1 . . 55615 . . 85 ILE HG21 . 51377 1 772 . 1 . 1 85 85 ILE HG23 H 1 0.7810 . . 1 . . 55615 . . 85 ILE HG21 . 51377 1 773 . 1 . 1 85 85 ILE HD11 H 1 0.4130 . . 1 . . 56361 . . 85 ILE HD11 . 51377 1 774 . 1 . 1 85 85 ILE HD12 H 1 0.4130 . . 1 . . 56361 . . 85 ILE HD11 . 51377 1 775 . 1 . 1 85 85 ILE HD13 H 1 0.4130 . . 1 . . 56361 . . 85 ILE HD11 . 51377 1 776 . 1 . 1 85 85 ILE C C 13 175.2804 . . 1 . . 30111 . . 85 ILE C . 51377 1 777 . 1 . 1 85 85 ILE CA C 13 64.2745 . . 1 . . 27837 . . 85 ILE CA . 51377 1 778 . 1 . 1 85 85 ILE CB C 13 37.8536 . . 1 . . 27864 . . 85 ILE CB . 51377 1 779 . 1 . 1 85 85 ILE CG1 C 13 28.9325 . . 1 . . 56358 . . 85 ILE CG1 . 51377 1 780 . 1 . 1 85 85 ILE CG2 C 13 17.2022 . . 1 . . 49591 . . 85 ILE CG2 . 51377 1 781 . 1 . 1 85 85 ILE N N 15 119.6832 . . 1 . . 29315 . . 85 ILE N . 51377 1 782 . 1 . 1 86 86 HIS H H 1 7.9121 . . 1 . . 29371 . . 86 HIS H . 51377 1 783 . 1 . 1 86 86 HIS HA H 1 4.3920 . . 1 . . 55471 . . 86 HIS HA . 51377 1 784 . 1 . 1 86 86 HIS HB2 H 1 3.2200 . . 2 . . 55480 . . 86 HIS HB2 . 51377 1 785 . 1 . 1 86 86 HIS HB3 H 1 3.3020 . . 2 . . 55477 . . 86 HIS HB3 . 51377 1 786 . 1 . 1 86 86 HIS C C 13 173.9407 . . 1 . . 30225 . . 86 HIS C . 51377 1 787 . 1 . 1 86 86 HIS CA C 13 58.2224 . . 1 . . 28080 . . 86 HIS CA . 51377 1 788 . 1 . 1 86 86 HIS CB C 13 29.0146 . . 1 . . 28116 . . 86 HIS CB . 51377 1 789 . 1 . 1 86 86 HIS N N 15 117.7615 . . 1 . . 29372 . . 86 HIS N . 51377 1 790 . 1 . 1 87 87 ASP H H 1 8.3517 . . 1 . . 35455 . . 87 ASP H . 51377 1 791 . 1 . 1 87 87 ASP HA H 1 4.5000 . . 1 . . 55483 . . 87 ASP HA . 51377 1 792 . 1 . 1 87 87 ASP HB2 H 1 2.6040 . . 2 . . 55510 . . 87 ASP HB2 . 51377 1 793 . 1 . 1 87 87 ASP HB3 H 1 2.6980 . . 2 . . 55507 . . 87 ASP HB3 . 51377 1 794 . 1 . 1 87 87 ASP C C 13 174.6611 . . 1 . . 39917 . . 87 ASP C . 51377 1 795 . 1 . 1 87 87 ASP CA C 13 55.9881 . . 1 . . 40058 . . 87 ASP CA . 51377 1 796 . 1 . 1 87 87 ASP CB C 13 40.8522 . . 1 . . 39959 . . 87 ASP CB . 51377 1 797 . 1 . 1 87 87 ASP N N 15 118.9287 . . 1 . . 35456 . . 87 ASP N . 51377 1 798 . 1 . 1 88 88 PHE H H 1 8.0763 . . 1 . . 29341 . . 88 PHE H . 51377 1 799 . 1 . 1 88 88 PHE HA H 1 4.5330 . . 1 . . 55315 . . 88 PHE HA . 51377 1 800 . 1 . 1 88 88 PHE HB2 H 1 3.0850 . . 2 . . 55330 . . 88 PHE HB2 . 51377 1 801 . 1 . 1 88 88 PHE HB3 H 1 3.1470 . . 2 . . 55321 . . 88 PHE HB3 . 51377 1 802 . 1 . 1 88 88 PHE C C 13 174.3429 . . 1 . . 30168 . . 88 PHE C . 51377 1 803 . 1 . 1 88 88 PHE CA C 13 59.0121 . . 1 . . 27969 . . 88 PHE CA . 51377 1 804 . 1 . 1 88 88 PHE CB C 13 39.4823 . . 1 . . 27996 . . 88 PHE CB . 51377 1 805 . 1 . 1 88 88 PHE N N 15 118.6729 . . 1 . . 29342 . . 88 PHE N . 51377 1 806 . 1 . 1 89 89 ILE H H 1 7.9291 . . 1 . . 29299 . . 89 ILE H . 51377 1 807 . 1 . 1 89 89 ILE HA H 1 3.9840 . . 1 . . 55216 . . 89 ILE HA . 51377 1 808 . 1 . 1 89 89 ILE HB H 1 1.8710 . . 1 . . 55234 . . 89 ILE HB . 51377 1 809 . 1 . 1 89 89 ILE HG12 H 1 1.1610 . . 2 . . 55240 . . 89 ILE HG12 . 51377 1 810 . 1 . 1 89 89 ILE HG13 H 1 1.5250 . . 2 . . 55237 . . 89 ILE HG13 . 51377 1 811 . 1 . 1 89 89 ILE HG21 H 1 0.8650 . . 1 . . 55231 . . 89 ILE HG21 . 51377 1 812 . 1 . 1 89 89 ILE HG22 H 1 0.8650 . . 1 . . 55231 . . 89 ILE HG21 . 51377 1 813 . 1 . 1 89 89 ILE HG23 H 1 0.8650 . . 1 . . 55231 . . 89 ILE HG21 . 51377 1 814 . 1 . 1 89 89 ILE HD11 H 1 0.7750 . . 1 . . 56367 . . 89 ILE HD11 . 51377 1 815 . 1 . 1 89 89 ILE HD12 H 1 0.7750 . . 1 . . 56367 . . 89 ILE HD11 . 51377 1 816 . 1 . 1 89 89 ILE HD13 H 1 0.7750 . . 1 . . 56367 . . 89 ILE HD11 . 51377 1 817 . 1 . 1 89 89 ILE CA C 13 62.2727 . . 1 . . 28890 . . 89 ILE CA . 51377 1 818 . 1 . 1 89 89 ILE CB C 13 38.5614 . . 1 . . 27780 . . 89 ILE CB . 51377 1 819 . 1 . 1 89 89 ILE CG1 C 13 27.8410 . . 1 . . 49327 . . 89 ILE CG1 . 51377 1 820 . 1 . 1 89 89 ILE CG2 C 13 17.4034 . . 1 . . 49321 . . 89 ILE CG2 . 51377 1 821 . 1 . 1 89 89 ILE N N 15 120.2622 . . 1 . . 29300 . . 89 ILE N . 51377 1 822 . 1 . 1 90 90 ASP H H 1 8.2210 . . 1 . . 29266 . . 90 ASP H . 51377 1 823 . 1 . 1 90 90 ASP HA H 1 4.5420 . . 1 . . 55429 . . 90 ASP HA . 51377 1 824 . 1 . 1 90 90 ASP HB2 H 1 2.6050 . . 2 . . 55441 . . 90 ASP HB2 . 51377 1 825 . 1 . 1 90 90 ASP HB3 H 1 2.6930 . . 2 . . 55438 . . 90 ASP HB3 . 51377 1 826 . 1 . 1 90 90 ASP CA C 13 55.0392 . . 1 . . 27654 . . 90 ASP CA . 51377 1 827 . 1 . 1 90 90 ASP CB C 13 41.0935 . . 1 . . 27660 . . 90 ASP CB . 51377 1 828 . 1 . 1 90 90 ASP N N 15 121.7963 . . 1 . . 29267 . . 90 ASP N . 51377 1 829 . 1 . 1 91 91 MET H H 1 7.9821 . . 1 . . 29332 . . 91 MET H . 51377 1 830 . 1 . 1 91 91 MET HA H 1 4.3660 . . 1 . . 55516 . . 91 MET HA . 51377 1 831 . 1 . 1 91 91 MET HG2 H 1 2.3920 . . 2 . . 55522 . . 91 MET HG2 . 51377 1 832 . 1 . 1 91 91 MET HG3 H 1 2.4730 . . 2 . . 55519 . . 91 MET HG3 . 51377 1 833 . 1 . 1 91 91 MET HE1 H 1 1.9250 . . 1 . . 55525 . . 91 MET HE1 . 51377 1 834 . 1 . 1 91 91 MET HE2 H 1 1.9250 . . 1 . . 55525 . . 91 MET HE1 . 51377 1 835 . 1 . 1 91 91 MET HE3 H 1 1.9250 . . 1 . . 55525 . . 91 MET HE1 . 51377 1 836 . 1 . 1 91 91 MET C C 13 174.0223 . . 1 . . 58289 . . 91 MET C . 51377 1 837 . 1 . 1 91 91 MET CA C 13 55.8664 . . 1 . . 28965 . . 91 MET CA . 51377 1 838 . 1 . 1 91 91 MET CB C 13 32.6968 . . 1 . . 58293 . . 91 MET CB . 51377 1 839 . 1 . 1 91 91 MET CG C 13 31.9725 . . 1 . . 49516 . . 91 MET CG . 51377 1 840 . 1 . 1 91 91 MET N N 15 119.2795 . . 1 . . 29333 . . 91 MET N . 51377 1 841 . 1 . 1 92 92 HIS H H 1 8.2163 . . 1 . . 29347 . . 92 HIS H . 51377 1 842 . 1 . 1 92 92 HIS HA H 1 4.6360 . . 1 . . 55753 . . 92 HIS HA . 51377 1 843 . 1 . 1 92 92 HIS HB2 H 1 3.1020 . . 2 . . 55762 . . 92 HIS HB2 . 51377 1 844 . 1 . 1 92 92 HIS HB3 H 1 3.2500 . . 2 . . 55759 . . 92 HIS HB3 . 51377 1 845 . 1 . 1 92 92 HIS C C 13 172.3224 . . 1 . . 58273 . . 92 HIS C . 51377 1 846 . 1 . 1 92 92 HIS CA C 13 56.1560 . . 1 . . 49711 . . 92 HIS CA . 51377 1 847 . 1 . 1 92 92 HIS CB C 13 29.5644 . . 1 . . 58277 . . 92 HIS CB . 51377 1 848 . 1 . 1 92 92 HIS N N 15 118.4696 . . 1 . . 29348 . . 92 HIS N . 51377 1 849 . 1 . 1 93 93 GLY H H 1 8.0955 . . 1 . . 29425 . . 93 GLY H . 51377 1 850 . 1 . 1 93 93 GLY C C 13 177.0764 . . 1 . . 30306 . . 93 GLY C . 51377 1 851 . 1 . 1 93 93 GLY CA C 13 46.2142 . . 1 . . 28275 . . 93 GLY CA . 51377 1 852 . 1 . 1 93 93 GLY N N 15 115.3468 . . 1 . . 29426 . . 93 GLY N . 51377 1 stop_ save_