data_27623 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 27623 _Entry.Title ; Klebsiella pneumoniae sigma4 of sigma70 fused to the beta-flap-tip helix ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2018-09-24 _Entry.Accession_date 2018-09-24 _Entry.Last_release_date 2018-09-25 _Entry.Original_release_date 2018-09-25 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.6.0 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 Yuan-Chao Lou . . . . 27623 2 Chinpan Chen . . . . 27623 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 27623 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 377 27623 '15N chemical shifts' 92 27623 '1H chemical shifts' 476 27623 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2020-02-25 2018-09-24 update BMRB 'update entry citation' 27623 1 . . 2019-08-15 2018-09-24 original author 'original release' 27623 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 27624 'Klebsiella pneumoniae sigma4 of sigmaS fused to the beta-flap-tip helix' 27623 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 27623 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.PubMed_ID 31293000 _Citation.DOI . _Citation.Full_citation . _Citation.Title ; Structural basis for -35 element recognition by sigma4 chimera proteins and their interactions with PmrA response regulator ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 88 _Citation.Journal_issue 1 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 69 _Citation.Page_last 81 _Citation.Year 2020 _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 Yuan-Chao Lou . . . . 27623 1 2 Chun-Chi Chou . . . . 27623 1 3 Hsin-Hong Yeh . . . . 27623 1 4 Chia-Yu Chien . . . . 27623 1 5 Sushant Sadotra . . . . 27623 1 6 Chun-Hua Hsu . . . . 27623 1 7 Chinpan Chen . . . . 27623 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'CPMG relaxation dispersion' 27623 1 NMR 27623 1 'PmrA response regulator' 27623 1 'X-ray crustal structure' 27623 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 27623 _Assembly.ID 1 _Assembly.Name 'sigma4-70c monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _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 'sigma4-70c monomer' 1 $sigma4-70c A . yes native no no . . . 27623 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_sigma4-70c _Entity.Sf_category entity _Entity.Sf_framecode sigma4-70c _Entity.Entry_ID 27623 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name sigma4-70c _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 ; GLPLDSATTESLRAATHDVL AGLTAREAKVLRMRFGIDMN TDHTLEEVGKQFDVTRERIR QIEAKALRKLRHPSRSEVLR SFLGSGWKGETQLTPEEKLL RAIFGEKA ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 108 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 27623 1 2 . LEU . 27623 1 3 . PRO . 27623 1 4 . LEU . 27623 1 5 . ASP . 27623 1 6 . SER . 27623 1 7 . ALA . 27623 1 8 . THR . 27623 1 9 . THR . 27623 1 10 . GLU . 27623 1 11 . SER . 27623 1 12 . LEU . 27623 1 13 . ARG . 27623 1 14 . ALA . 27623 1 15 . ALA . 27623 1 16 . THR . 27623 1 17 . HIS . 27623 1 18 . ASP . 27623 1 19 . VAL . 27623 1 20 . LEU . 27623 1 21 . ALA . 27623 1 22 . GLY . 27623 1 23 . LEU . 27623 1 24 . THR . 27623 1 25 . ALA . 27623 1 26 . ARG . 27623 1 27 . GLU . 27623 1 28 . ALA . 27623 1 29 . LYS . 27623 1 30 . VAL . 27623 1 31 . LEU . 27623 1 32 . ARG . 27623 1 33 . MET . 27623 1 34 . ARG . 27623 1 35 . PHE . 27623 1 36 . GLY . 27623 1 37 . ILE . 27623 1 38 . ASP . 27623 1 39 . MET . 27623 1 40 . ASN . 27623 1 41 . THR . 27623 1 42 . ASP . 27623 1 43 . HIS . 27623 1 44 . THR . 27623 1 45 . LEU . 27623 1 46 . GLU . 27623 1 47 . GLU . 27623 1 48 . VAL . 27623 1 49 . GLY . 27623 1 50 . LYS . 27623 1 51 . GLN . 27623 1 52 . PHE . 27623 1 53 . ASP . 27623 1 54 . VAL . 27623 1 55 . THR . 27623 1 56 . ARG . 27623 1 57 . GLU . 27623 1 58 . ARG . 27623 1 59 . ILE . 27623 1 60 . ARG . 27623 1 61 . GLN . 27623 1 62 . ILE . 27623 1 63 . GLU . 27623 1 64 . ALA . 27623 1 65 . LYS . 27623 1 66 . ALA . 27623 1 67 . LEU . 27623 1 68 . ARG . 27623 1 69 . LYS . 27623 1 70 . LEU . 27623 1 71 . ARG . 27623 1 72 . HIS . 27623 1 73 . PRO . 27623 1 74 . SER . 27623 1 75 . ARG . 27623 1 76 . SER . 27623 1 77 . GLU . 27623 1 78 . VAL . 27623 1 79 . LEU . 27623 1 80 . ARG . 27623 1 81 . SER . 27623 1 82 . PHE . 27623 1 83 . LEU . 27623 1 84 . GLY . 27623 1 85 . SER . 27623 1 86 . GLY . 27623 1 87 . TRP . 27623 1 88 . LYS . 27623 1 89 . GLY . 27623 1 90 . GLU . 27623 1 91 . THR . 27623 1 92 . GLN . 27623 1 93 . LEU . 27623 1 94 . THR . 27623 1 95 . PRO . 27623 1 96 . GLU . 27623 1 97 . GLU . 27623 1 98 . LYS . 27623 1 99 . LEU . 27623 1 100 . LEU . 27623 1 101 . ARG . 27623 1 102 . ALA . 27623 1 103 . ILE . 27623 1 104 . PHE . 27623 1 105 . GLY . 27623 1 106 . GLU . 27623 1 107 . LYS . 27623 1 108 . ALA . 27623 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 27623 1 . LEU 2 2 27623 1 . PRO 3 3 27623 1 . LEU 4 4 27623 1 . ASP 5 5 27623 1 . SER 6 6 27623 1 . ALA 7 7 27623 1 . THR 8 8 27623 1 . THR 9 9 27623 1 . GLU 10 10 27623 1 . SER 11 11 27623 1 . LEU 12 12 27623 1 . ARG 13 13 27623 1 . ALA 14 14 27623 1 . ALA 15 15 27623 1 . THR 16 16 27623 1 . HIS 17 17 27623 1 . ASP 18 18 27623 1 . VAL 19 19 27623 1 . LEU 20 20 27623 1 . ALA 21 21 27623 1 . GLY 22 22 27623 1 . LEU 23 23 27623 1 . THR 24 24 27623 1 . ALA 25 25 27623 1 . ARG 26 26 27623 1 . GLU 27 27 27623 1 . ALA 28 28 27623 1 . LYS 29 29 27623 1 . VAL 30 30 27623 1 . LEU 31 31 27623 1 . ARG 32 32 27623 1 . MET 33 33 27623 1 . ARG 34 34 27623 1 . PHE 35 35 27623 1 . GLY 36 36 27623 1 . ILE 37 37 27623 1 . ASP 38 38 27623 1 . MET 39 39 27623 1 . ASN 40 40 27623 1 . THR 41 41 27623 1 . ASP 42 42 27623 1 . HIS 43 43 27623 1 . THR 44 44 27623 1 . LEU 45 45 27623 1 . GLU 46 46 27623 1 . GLU 47 47 27623 1 . VAL 48 48 27623 1 . GLY 49 49 27623 1 . LYS 50 50 27623 1 . GLN 51 51 27623 1 . PHE 52 52 27623 1 . ASP 53 53 27623 1 . VAL 54 54 27623 1 . THR 55 55 27623 1 . ARG 56 56 27623 1 . GLU 57 57 27623 1 . ARG 58 58 27623 1 . ILE 59 59 27623 1 . ARG 60 60 27623 1 . GLN 61 61 27623 1 . ILE 62 62 27623 1 . GLU 63 63 27623 1 . ALA 64 64 27623 1 . LYS 65 65 27623 1 . ALA 66 66 27623 1 . LEU 67 67 27623 1 . ARG 68 68 27623 1 . LYS 69 69 27623 1 . LEU 70 70 27623 1 . ARG 71 71 27623 1 . HIS 72 72 27623 1 . PRO 73 73 27623 1 . SER 74 74 27623 1 . ARG 75 75 27623 1 . SER 76 76 27623 1 . GLU 77 77 27623 1 . VAL 78 78 27623 1 . LEU 79 79 27623 1 . ARG 80 80 27623 1 . SER 81 81 27623 1 . PHE 82 82 27623 1 . LEU 83 83 27623 1 . GLY 84 84 27623 1 . SER 85 85 27623 1 . GLY 86 86 27623 1 . TRP 87 87 27623 1 . LYS 88 88 27623 1 . GLY 89 89 27623 1 . GLU 90 90 27623 1 . THR 91 91 27623 1 . GLN 92 92 27623 1 . LEU 93 93 27623 1 . THR 94 94 27623 1 . PRO 95 95 27623 1 . GLU 96 96 27623 1 . GLU 97 97 27623 1 . LYS 98 98 27623 1 . LEU 99 99 27623 1 . LEU 100 100 27623 1 . ARG 101 101 27623 1 . ALA 102 102 27623 1 . ILE 103 103 27623 1 . PHE 104 104 27623 1 . GLY 105 105 27623 1 . GLU 106 106 27623 1 . LYS 107 107 27623 1 . ALA 108 108 27623 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 27623 _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 $sigma4-70c . 573 organism . 'Klebsiella pneumoniae' 'Klebsiella pneumoniae' . . Bacteria . Klebsiella pneumoniae . . . . . . . . . . . . . 27623 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 27623 _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 $sigma4-70c . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . pet-GB1 . . . 27623 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 27623 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 sigma4-70c '[U-99% 13C; U-99% 15N]' . . 1 $sigma4-70c . . 1.2 . . mM . . . . 27623 1 2 Na2HPO4 'natural abundance' . . . . . . 20 . . mM . . . . 27623 1 3 NaCl 'natural abundance' . . . . . . 30 . . mM . . . . 27623 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 27623 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.15 . M 27623 1 pH 6.0 . pH 27623 1 pressure 1 . atm 27623 1 temperature 298 . K 27623 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 27623 _Software.ID 1 _Software.Type . _Software.Name NMRView _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 27623 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'chemical shift assignment' 27623 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 27623 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 27623 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 27623 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 27623 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_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.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27623 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27623 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27623 1 4 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 27623 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 27623 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _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 0.00 na indirect 0.251449530 . . . . . 27623 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 27623 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 27623 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 27623 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _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 $chemical_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' . . . 27623 1 2 '3D HNCACB' . . . 27623 1 3 '3D HNCO' . . . 27623 1 4 '3D HCCH-COSY' . . . 27623 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_assembly_asym_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 . 1 1 1 GLY HA2 H 1 3.8330 0.02 . 2 . . . . . 1 GLY HA1 . 27623 1 2 . 1 . 1 1 1 GLY HA3 H 1 3.8330 0.02 . 2 . . . . . 1 GLY HA2 . 27623 1 3 . 1 . 1 1 1 GLY C C 13 169.7510 0.2 . 1 . . . . . 1 GLY C . 27623 1 4 . 1 . 1 1 1 GLY CA C 13 43.0600 0.2 . 1 . . . . . 1 GLY CA . 27623 1 5 . 1 . 1 2 2 LEU H H 1 8.6960 0.02 . 1 . . . . . 2 LEU HN . 27623 1 6 . 1 . 1 2 2 LEU HA H 1 4.9580 0.02 . 1 . . . . . 2 LEU HA . 27623 1 7 . 1 . 1 2 2 LEU HB2 H 1 1.6830 0.02 . 2 . . . . . 2 LEU HB1 . 27623 1 8 . 1 . 1 2 2 LEU HB3 H 1 1.5680 0.02 . 2 . . . . . 2 LEU HB2 . 27623 1 9 . 1 . 1 2 2 LEU C C 13 175.3570 0.2 . 1 . . . . . 2 LEU C . 27623 1 10 . 1 . 1 2 2 LEU CA C 13 53.2800 0.2 . 1 . . . . . 2 LEU CA . 27623 1 11 . 1 . 1 2 2 LEU CB C 13 40.6920 0.2 . 1 . . . . . 2 LEU CB . 27623 1 12 . 1 . 1 2 2 LEU N N 15 122.6810 0.2 . 1 . . . . . 2 LEU N . 27623 1 13 . 1 . 1 3 3 PRO HA H 1 4.4420 0.02 . 1 . . . . . 3 PRO HA . 27623 1 14 . 1 . 1 3 3 PRO HB2 H 1 1.9560 0.02 . 2 . . . . . 3 PRO HB1 . 27623 1 15 . 1 . 1 3 3 PRO HB3 H 1 2.2910 0.02 . 2 . . . . . 3 PRO HB2 . 27623 1 16 . 1 . 1 3 3 PRO HG2 H 1 2.0430 0.02 . 2 . . . . . 3 PRO HG1 . 27623 1 17 . 1 . 1 3 3 PRO HG3 H 1 2.0430 0.02 . 2 . . . . . 3 PRO HG2 . 27623 1 18 . 1 . 1 3 3 PRO HD2 H 1 3.8590 0.02 . 2 . . . . . 3 PRO HD1 . 27623 1 19 . 1 . 1 3 3 PRO HD3 H 1 3.6420 0.02 . 2 . . . . . 3 PRO HD2 . 27623 1 20 . 1 . 1 3 3 PRO C C 13 176.9070 0.2 . 1 . . . . . 3 PRO C . 27623 1 21 . 1 . 1 3 3 PRO CA C 13 62.9600 0.2 . 1 . . . . . 3 PRO CA . 27623 1 22 . 1 . 1 3 3 PRO CB C 13 31.2650 0.2 . 1 . . . . . 3 PRO CB . 27623 1 23 . 1 . 1 3 3 PRO CG C 13 27.8940 0.2 . 1 . . . . . 3 PRO CG . 27623 1 24 . 1 . 1 3 3 PRO CD C 13 50.5240 0.2 . 1 . . . . . 3 PRO CD . 27623 1 25 . 1 . 1 4 4 LEU H H 1 8.5170 0.02 . 1 . . . . . 4 LEU HN . 27623 1 26 . 1 . 1 4 4 LEU HA H 1 4.3050 0.02 . 1 . . . . . 4 LEU HA . 27623 1 27 . 1 . 1 4 4 LEU HB2 H 1 1.6140 0.02 . 2 . . . . . 4 LEU HB1 . 27623 1 28 . 1 . 1 4 4 LEU HB3 H 1 1.6140 0.02 . 2 . . . . . 4 LEU HB2 . 27623 1 29 . 1 . 1 4 4 LEU C C 13 177.4810 0.2 . 1 . . . . . 4 LEU C . 27623 1 30 . 1 . 1 4 4 LEU CA C 13 55.2800 0.2 . 1 . . . . . 4 LEU CA . 27623 1 31 . 1 . 1 4 4 LEU CB C 13 40.6520 0.2 . 1 . . . . . 4 LEU CB . 27623 1 32 . 1 . 1 4 4 LEU N N 15 122.1060 0.2 . 1 . . . . . 4 LEU N . 27623 1 33 . 1 . 1 5 5 ASP H H 1 8.4030 0.02 . 1 . . . . . 5 ASP HN . 27623 1 34 . 1 . 1 5 5 ASP HA H 1 4.6210 0.02 . 1 . . . . . 5 ASP HA . 27623 1 35 . 1 . 1 5 5 ASP HB2 H 1 2.7740 0.02 . 2 . . . . . 5 ASP HB1 . 27623 1 36 . 1 . 1 5 5 ASP HB3 H 1 2.7740 0.02 . 2 . . . . . 5 ASP HB2 . 27623 1 37 . 1 . 1 5 5 ASP C C 13 176.6580 0.2 . 1 . . . . . 5 ASP C . 27623 1 38 . 1 . 1 5 5 ASP CA C 13 53.9590 0.2 . 1 . . . . . 5 ASP CA . 27623 1 39 . 1 . 1 5 5 ASP CB C 13 40.7210 0.2 . 1 . . . . . 5 ASP CB . 27623 1 40 . 1 . 1 5 5 ASP N N 15 120.8250 0.2 . 1 . . . . . 5 ASP N . 27623 1 41 . 1 . 1 6 6 SER H H 1 8.5170 0.02 . 1 . . . . . 6 SER HN . 27623 1 42 . 1 . 1 6 6 SER HA H 1 4.3420 0.02 . 1 . . . . . 6 SER HA . 27623 1 43 . 1 . 1 6 6 SER HB2 H 1 3.9290 0.02 . 2 . . . . . 6 SER HB1 . 27623 1 44 . 1 . 1 6 6 SER HB3 H 1 3.9290 0.02 . 2 . . . . . 6 SER HB2 . 27623 1 45 . 1 . 1 6 6 SER C C 13 175.3380 0.2 . 1 . . . . . 6 SER C . 27623 1 46 . 1 . 1 6 6 SER CA C 13 59.7380 0.2 . 1 . . . . . 6 SER CA . 27623 1 47 . 1 . 1 6 6 SER CB C 13 63.1250 0.2 . 1 . . . . . 6 SER CB . 27623 1 48 . 1 . 1 6 6 SER N N 15 116.6460 0.2 . 1 . . . . . 6 SER N . 27623 1 49 . 1 . 1 7 7 ALA H H 1 8.5410 0.02 . 1 . . . . . 7 ALA HN . 27623 1 50 . 1 . 1 7 7 ALA HA H 1 4.3410 0.02 . 1 . . . . . 7 ALA HA . 27623 1 51 . 1 . 1 7 7 ALA HB1 H 1 1.4670 0.02 . 1 . . . . . 7 ALA HB1 . 27623 1 52 . 1 . 1 7 7 ALA HB2 H 1 1.4670 0.02 . 1 . . . . . 7 ALA HB1 . 27623 1 53 . 1 . 1 7 7 ALA HB3 H 1 1.4670 0.02 . 1 . . . . . 7 ALA HB1 . 27623 1 54 . 1 . 1 7 7 ALA C C 13 179.5670 0.2 . 1 . . . . . 7 ALA C . 27623 1 55 . 1 . 1 7 7 ALA CA C 13 54.0350 0.2 . 1 . . . . . 7 ALA CA . 27623 1 56 . 1 . 1 7 7 ALA CB C 13 18.1800 0.2 . 1 . . . . . 7 ALA CB . 27623 1 57 . 1 . 1 7 7 ALA N N 15 125.2010 0.2 . 1 . . . . . 7 ALA N . 27623 1 58 . 1 . 1 8 8 THR H H 1 8.3680 0.02 . 1 . . . . . 8 THR HN . 27623 1 59 . 1 . 1 8 8 THR HA H 1 4.3370 0.02 . 1 . . . . . 8 THR HA . 27623 1 60 . 1 . 1 8 8 THR HB H 1 4.3240 0.02 . 1 . . . . . 8 THR HB . 27623 1 61 . 1 . 1 8 8 THR HG21 H 1 1.4030 0.02 . 1 . . . . . 8 THR HG21 . 27623 1 62 . 1 . 1 8 8 THR HG22 H 1 1.4030 0.02 . 1 . . . . . 8 THR HG21 . 27623 1 63 . 1 . 1 8 8 THR HG23 H 1 1.4030 0.02 . 1 . . . . . 8 THR HG21 . 27623 1 64 . 1 . 1 8 8 THR C C 13 175.8930 0.2 . 1 . . . . . 8 THR C . 27623 1 65 . 1 . 1 8 8 THR CA C 13 64.4020 0.2 . 1 . . . . . 8 THR CA . 27623 1 66 . 1 . 1 8 8 THR CB C 13 68.9150 0.2 . 1 . . . . . 8 THR CB . 27623 1 67 . 1 . 1 8 8 THR CG2 C 13 21.7450 0.2 . 1 . . . . . 8 THR CG2 . 27623 1 68 . 1 . 1 8 8 THR N N 15 114.4130 0.2 . 1 . . . . . 8 THR N . 27623 1 69 . 1 . 1 9 9 THR H H 1 8.3110 0.02 . 1 . . . . . 9 THR HN . 27623 1 70 . 1 . 1 9 9 THR HA H 1 4.3320 0.02 . 1 . . . . . 9 THR HA . 27623 1 71 . 1 . 1 9 9 THR HB H 1 4.0680 0.02 . 1 . . . . . 9 THR HB . 27623 1 72 . 1 . 1 9 9 THR HG21 H 1 1.2490 0.02 . 1 . . . . . 9 THR HG21 . 27623 1 73 . 1 . 1 9 9 THR HG22 H 1 1.2490 0.02 . 1 . . . . . 9 THR HG21 . 27623 1 74 . 1 . 1 9 9 THR HG23 H 1 1.2490 0.02 . 1 . . . . . 9 THR HG21 . 27623 1 75 . 1 . 1 9 9 THR C C 13 176.1420 0.2 . 1 . . . . . 9 THR C . 27623 1 76 . 1 . 1 9 9 THR CA C 13 65.2130 0.2 . 1 . . . . . 9 THR CA . 27623 1 77 . 1 . 1 9 9 THR CB C 13 68.5710 0.2 . 1 . . . . . 9 THR CB . 27623 1 78 . 1 . 1 9 9 THR N N 15 116.5490 0.2 . 1 . . . . . 9 THR N . 27623 1 79 . 1 . 1 10 10 GLU H H 1 8.3200 0.02 . 1 . . . . . 10 GLU HN . 27623 1 80 . 1 . 1 10 10 GLU HA H 1 4.1620 0.02 . 1 . . . . . 10 GLU HA . 27623 1 81 . 1 . 1 10 10 GLU HB2 H 1 2.1030 0.02 . 2 . . . . . 10 GLU HB1 . 27623 1 82 . 1 . 1 10 10 GLU HB3 H 1 2.1030 0.02 . 2 . . . . . 10 GLU HB2 . 27623 1 83 . 1 . 1 10 10 GLU C C 13 178.5150 0.2 . 1 . . . . . 10 GLU C . 27623 1 84 . 1 . 1 10 10 GLU CA C 13 58.8520 0.2 . 1 . . . . . 10 GLU CA . 27623 1 85 . 1 . 1 10 10 GLU CB C 13 28.5890 0.2 . 1 . . . . . 10 GLU CB . 27623 1 86 . 1 . 1 10 10 GLU CG C 13 36.0880 0.2 . 1 . . . . . 10 GLU CG . 27623 1 87 . 1 . 1 10 10 GLU N N 15 121.9000 0.2 . 1 . . . . . 10 GLU N . 27623 1 88 . 1 . 1 11 11 SER H H 1 8.3420 0.02 . 1 . . . . . 11 SER HN . 27623 1 89 . 1 . 1 11 11 SER HA H 1 4.3860 0.02 . 1 . . . . . 11 SER HA . 27623 1 90 . 1 . 1 11 11 SER HB2 H 1 4.1800 0.02 . 2 . . . . . 11 SER HB1 . 27623 1 91 . 1 . 1 11 11 SER HB3 H 1 4.1800 0.02 . 2 . . . . . 11 SER HB2 . 27623 1 92 . 1 . 1 11 11 SER C C 13 176.5630 0.2 . 1 . . . . . 11 SER C . 27623 1 93 . 1 . 1 11 11 SER CA C 13 60.8030 0.2 . 1 . . . . . 11 SER CA . 27623 1 94 . 1 . 1 11 11 SER CB C 13 62.6420 0.2 . 1 . . . . . 11 SER CB . 27623 1 95 . 1 . 1 11 11 SER N N 15 116.5610 0.2 . 1 . . . . . 11 SER N . 27623 1 96 . 1 . 1 12 12 LEU H H 1 8.4820 0.02 . 1 . . . . . 12 LEU HN . 27623 1 97 . 1 . 1 12 12 LEU HA H 1 3.2080 0.02 . 1 . . . . . 12 LEU HA . 27623 1 98 . 1 . 1 12 12 LEU HB2 H 1 1.6650 0.02 . 2 . . . . . 12 LEU HB1 . 27623 1 99 . 1 . 1 12 12 LEU HB3 H 1 1.6650 0.02 . 2 . . . . . 12 LEU HB2 . 27623 1 100 . 1 . 1 12 12 LEU C C 13 179.7960 0.2 . 1 . . . . . 12 LEU C . 27623 1 101 . 1 . 1 12 12 LEU CA C 13 57.4820 0.2 . 1 . . . . . 12 LEU CA . 27623 1 102 . 1 . 1 12 12 LEU CB C 13 38.9290 0.2 . 1 . . . . . 12 LEU CB . 27623 1 103 . 1 . 1 12 12 LEU N N 15 125.2070 0.2 . 1 . . . . . 12 LEU N . 27623 1 104 . 1 . 1 13 13 ARG H H 1 8.4820 0.02 . 1 . . . . . 13 ARG HN . 27623 1 105 . 1 . 1 13 13 ARG HA H 1 3.6830 0.02 . 1 . . . . . 13 ARG HA . 27623 1 106 . 1 . 1 13 13 ARG HB2 H 1 1.8570 0.02 . 2 . . . . . 13 ARG HB1 . 27623 1 107 . 1 . 1 13 13 ARG HB3 H 1 1.8570 0.02 . 2 . . . . . 13 ARG HB2 . 27623 1 108 . 1 . 1 13 13 ARG HG2 H 1 1.4490 0.02 . 2 . . . . . 13 ARG HG1 . 27623 1 109 . 1 . 1 13 13 ARG HG3 H 1 1.4490 0.02 . 2 . . . . . 13 ARG HG2 . 27623 1 110 . 1 . 1 13 13 ARG C C 13 178.7620 0.2 . 1 . . . . . 13 ARG C . 27623 1 111 . 1 . 1 13 13 ARG CA C 13 60.8540 0.2 . 1 . . . . . 13 ARG CA . 27623 1 112 . 1 . 1 13 13 ARG CB C 13 28.9340 0.2 . 1 . . . . . 13 ARG CB . 27623 1 113 . 1 . 1 13 13 ARG CG C 13 26.7970 0.2 . 1 . . . . . 13 ARG CG . 27623 1 114 . 1 . 1 13 13 ARG CD C 13 43.3460 0.2 . 1 . . . . . 13 ARG CD . 27623 1 115 . 1 . 1 13 13 ARG N N 15 122.7200 0.2 . 1 . . . . . 13 ARG N . 27623 1 116 . 1 . 1 14 14 ALA H H 1 8.0300 0.02 . 1 . . . . . 14 ALA HN . 27623 1 117 . 1 . 1 14 14 ALA HA H 1 4.1480 0.02 . 1 . . . . . 14 ALA HA . 27623 1 118 . 1 . 1 14 14 ALA HB1 H 1 1.5120 0.02 . 1 . . . . . 14 ALA HB1 . 27623 1 119 . 1 . 1 14 14 ALA HB2 H 1 1.5120 0.02 . 1 . . . . . 14 ALA HB1 . 27623 1 120 . 1 . 1 14 14 ALA HB3 H 1 1.5120 0.02 . 1 . . . . . 14 ALA HB1 . 27623 1 121 . 1 . 1 14 14 ALA C C 13 179.5480 0.2 . 1 . . . . . 14 ALA C . 27623 1 122 . 1 . 1 14 14 ALA CA C 13 55.1760 0.2 . 1 . . . . . 14 ALA CA . 27623 1 123 . 1 . 1 14 14 ALA CB C 13 17.6290 0.2 . 1 . . . . . 14 ALA CB . 27623 1 124 . 1 . 1 14 14 ALA N N 15 122.7410 0.2 . 1 . . . . . 14 ALA N . 27623 1 125 . 1 . 1 15 15 ALA H H 1 8.2300 0.02 . 1 . . . . . 15 ALA HN . 27623 1 126 . 1 . 1 15 15 ALA HA H 1 4.2290 0.02 . 1 . . . . . 15 ALA HA . 27623 1 127 . 1 . 1 15 15 ALA HB1 H 1 1.4670 0.02 . 1 . . . . . 15 ALA HB1 . 27623 1 128 . 1 . 1 15 15 ALA HB2 H 1 1.4670 0.02 . 1 . . . . . 15 ALA HB1 . 27623 1 129 . 1 . 1 15 15 ALA HB3 H 1 1.4670 0.02 . 1 . . . . . 15 ALA HB1 . 27623 1 130 . 1 . 1 15 15 ALA C C 13 180.4850 0.2 . 1 . . . . . 15 ALA C . 27623 1 131 . 1 . 1 15 15 ALA CA C 13 55.0240 0.2 . 1 . . . . . 15 ALA CA . 27623 1 132 . 1 . 1 15 15 ALA CB C 13 18.3860 0.2 . 1 . . . . . 15 ALA CB . 27623 1 133 . 1 . 1 15 15 ALA N N 15 120.6010 0.2 . 1 . . . . . 15 ALA N . 27623 1 134 . 1 . 1 16 16 THR H H 1 8.4140 0.02 . 1 . . . . . 16 THR HN . 27623 1 135 . 1 . 1 16 16 THR HA H 1 4.1980 0.02 . 1 . . . . . 16 THR HA . 27623 1 136 . 1 . 1 16 16 THR HB H 1 3.7180 0.02 . 1 . . . . . 16 THR HB . 27623 1 137 . 1 . 1 16 16 THR HG21 H 1 1.0810 0.02 . 1 . . . . . 16 THR HG21 . 27623 1 138 . 1 . 1 16 16 THR HG22 H 1 1.0810 0.02 . 1 . . . . . 16 THR HG21 . 27623 1 139 . 1 . 1 16 16 THR HG23 H 1 1.0810 0.02 . 1 . . . . . 16 THR HG21 . 27623 1 140 . 1 . 1 16 16 THR C C 13 175.5290 0.2 . 1 . . . . . 16 THR C . 27623 1 141 . 1 . 1 16 16 THR CA C 13 67.1650 0.2 . 1 . . . . . 16 THR CA . 27623 1 142 . 1 . 1 16 16 THR CB C 13 67.9500 0.2 . 1 . . . . . 16 THR CB . 27623 1 143 . 1 . 1 16 16 THR CG2 C 13 22.1750 0.2 . 1 . . . . . 16 THR CG2 . 27623 1 144 . 1 . 1 16 16 THR N N 15 113.7490 0.2 . 1 . . . . . 16 THR N . 27623 1 145 . 1 . 1 17 17 HIS H H 1 8.1060 0.02 . 1 . . . . . 17 HIS HN . 27623 1 146 . 1 . 1 17 17 HIS HA H 1 3.9120 0.02 . 1 . . . . . 17 HIS HA . 27623 1 147 . 1 . 1 17 17 HIS HB2 H 1 3.5350 0.02 . 2 . . . . . 17 HIS HB1 . 27623 1 148 . 1 . 1 17 17 HIS HB3 H 1 3.3740 0.02 . 2 . . . . . 17 HIS HB2 . 27623 1 149 . 1 . 1 17 17 HIS C C 13 177.6150 0.2 . 1 . . . . . 17 HIS C . 27623 1 150 . 1 . 1 17 17 HIS CA C 13 60.0930 0.2 . 1 . . . . . 17 HIS CA . 27623 1 151 . 1 . 1 17 17 HIS CB C 13 27.6930 0.2 . 1 . . . . . 17 HIS CB . 27623 1 152 . 1 . 1 17 17 HIS N N 15 120.5320 0.2 . 1 . . . . . 17 HIS N . 27623 1 153 . 1 . 1 18 18 ASP H H 1 8.1400 0.02 . 1 . . . . . 18 ASP HN . 27623 1 154 . 1 . 1 18 18 ASP HA H 1 4.4290 0.02 . 1 . . . . . 18 ASP HA . 27623 1 155 . 1 . 1 18 18 ASP HB2 H 1 2.9490 0.02 . 2 . . . . . 18 ASP HB1 . 27623 1 156 . 1 . 1 18 18 ASP HB3 H 1 2.7520 0.02 . 2 . . . . . 18 ASP HB2 . 27623 1 157 . 1 . 1 18 18 ASP C C 13 178.8780 0.2 . 1 . . . . . 18 ASP C . 27623 1 158 . 1 . 1 18 18 ASP CA C 13 57.4570 0.2 . 1 . . . . . 18 ASP CA . 27623 1 159 . 1 . 1 18 18 ASP CB C 13 39.5490 0.2 . 1 . . . . . 18 ASP CB . 27623 1 160 . 1 . 1 18 18 ASP N N 15 119.2180 0.2 . 1 . . . . . 18 ASP N . 27623 1 161 . 1 . 1 19 19 VAL H H 1 8.1500 0.02 . 1 . . . . . 19 VAL HN . 27623 1 162 . 1 . 1 19 19 VAL HA H 1 4.0940 0.02 . 1 . . . . . 19 VAL HA . 27623 1 163 . 1 . 1 19 19 VAL HB H 1 2.1390 0.02 . 1 . . . . . 19 VAL HB . 27623 1 164 . 1 . 1 19 19 VAL HG11 H 1 1.1030 0.02 . 2 . . . . . 19 VAL HG11 . 27623 1 165 . 1 . 1 19 19 VAL HG12 H 1 1.1030 0.02 . 2 . . . . . 19 VAL HG11 . 27623 1 166 . 1 . 1 19 19 VAL HG13 H 1 1.1030 0.02 . 2 . . . . . 19 VAL HG11 . 27623 1 167 . 1 . 1 19 19 VAL HG21 H 1 1.1030 0.02 . 2 . . . . . 19 VAL HG21 . 27623 1 168 . 1 . 1 19 19 VAL HG22 H 1 1.1030 0.02 . 2 . . . . . 19 VAL HG21 . 27623 1 169 . 1 . 1 19 19 VAL HG23 H 1 1.1030 0.02 . 2 . . . . . 19 VAL HG21 . 27623 1 170 . 1 . 1 19 19 VAL C C 13 179.6820 0.2 . 1 . . . . . 19 VAL C . 27623 1 171 . 1 . 1 19 19 VAL CA C 13 65.3150 0.2 . 1 . . . . . 19 VAL CA . 27623 1 172 . 1 . 1 19 19 VAL CB C 13 30.7260 0.2 . 1 . . . . . 19 VAL CB . 27623 1 173 . 1 . 1 19 19 VAL CG1 C 13 21.8040 0.2 . 1 . . . . . 19 VAL CG1 . 27623 1 174 . 1 . 1 19 19 VAL CG2 C 13 21.8040 0.2 . 1 . . . . . 19 VAL CG2 . 27623 1 175 . 1 . 1 19 19 VAL N N 15 117.6510 0.2 . 1 . . . . . 19 VAL N . 27623 1 176 . 1 . 1 20 20 LEU H H 1 8.2000 0.02 . 1 . . . . . 20 LEU HN . 27623 1 177 . 1 . 1 20 20 LEU HA H 1 3.9470 0.02 . 1 . . . . . 20 LEU HA . 27623 1 178 . 1 . 1 20 20 LEU HB2 H 1 1.8570 0.02 . 2 . . . . . 20 LEU HB1 . 27623 1 179 . 1 . 1 20 20 LEU HB3 H 1 1.3210 0.02 . 2 . . . . . 20 LEU HB2 . 27623 1 180 . 1 . 1 20 20 LEU C C 13 178.5530 0.2 . 1 . . . . . 20 LEU C . 27623 1 181 . 1 . 1 20 20 LEU CA C 13 57.5570 0.2 . 1 . . . . . 20 LEU CA . 27623 1 182 . 1 . 1 20 20 LEU CB C 13 40.1010 0.2 . 1 . . . . . 20 LEU CB . 27623 1 183 . 1 . 1 20 20 LEU CG C 13 25.7070 0.2 . 1 . . . . . 20 LEU CG . 27623 1 184 . 1 . 1 20 20 LEU N N 15 120.6300 0.2 . 1 . . . . . 20 LEU N . 27623 1 185 . 1 . 1 21 21 ALA H H 1 7.3850 0.02 . 1 . . . . . 21 ALA HN . 27623 1 186 . 1 . 1 21 21 ALA HA H 1 4.1080 0.02 . 1 . . . . . 21 ALA HA . 27623 1 187 . 1 . 1 21 21 ALA HB1 H 1 1.4360 0.02 . 1 . . . . . 21 ALA HB1 . 27623 1 188 . 1 . 1 21 21 ALA HB2 H 1 1.4360 0.02 . 1 . . . . . 21 ALA HB1 . 27623 1 189 . 1 . 1 21 21 ALA HB3 H 1 1.4360 0.02 . 1 . . . . . 21 ALA HB1 . 27623 1 190 . 1 . 1 21 21 ALA C C 13 178.1510 0.2 . 1 . . . . . 21 ALA C . 27623 1 191 . 1 . 1 21 21 ALA CA C 13 53.7060 0.2 . 1 . . . . . 21 ALA CA . 27623 1 192 . 1 . 1 21 21 ALA CB C 13 17.4910 0.2 . 1 . . . . . 21 ALA CB . 27623 1 193 . 1 . 1 21 21 ALA N N 15 118.8470 0.2 . 1 . . . . . 21 ALA N . 27623 1 194 . 1 . 1 22 22 GLY H H 1 7.3800 0.02 . 1 . . . . . 22 GLY HN . 27623 1 195 . 1 . 1 22 22 GLY HA2 H 1 3.8780 0.02 . 2 . . . . . 22 GLY HA1 . 27623 1 196 . 1 . 1 22 22 GLY HA3 H 1 4.2780 0.02 . 2 . . . . . 22 GLY HA2 . 27623 1 197 . 1 . 1 22 22 GLY C C 13 174.8600 0.2 . 1 . . . . . 22 GLY C . 27623 1 198 . 1 . 1 22 22 GLY CA C 13 44.9360 0.2 . 1 . . . . . 22 GLY CA . 27623 1 199 . 1 . 1 22 22 GLY N N 15 102.3740 0.2 . 1 . . . . . 22 GLY N . 27623 1 200 . 1 . 1 23 23 LEU H H 1 7.1780 0.02 . 1 . . . . . 23 LEU HN . 27623 1 201 . 1 . 1 23 23 LEU HA H 1 4.5340 0.02 . 1 . . . . . 23 LEU HA . 27623 1 202 . 1 . 1 23 23 LEU HB2 H 1 1.9330 0.02 . 2 . . . . . 23 LEU HB1 . 27623 1 203 . 1 . 1 23 23 LEU HB3 H 1 2.1570 0.02 . 2 . . . . . 23 LEU HB2 . 27623 1 204 . 1 . 1 23 23 LEU C C 13 177.6530 0.2 . 1 . . . . . 23 LEU C . 27623 1 205 . 1 . 1 23 23 LEU CA C 13 53.4270 0.2 . 1 . . . . . 23 LEU CA . 27623 1 206 . 1 . 1 23 23 LEU CB C 13 41.5480 0.2 . 1 . . . . . 23 LEU CB . 27623 1 207 . 1 . 1 23 23 LEU N N 15 120.4720 0.2 . 1 . . . . . 23 LEU N . 27623 1 208 . 1 . 1 24 24 THR H H 1 8.6030 0.02 . 1 . . . . . 24 THR HN . 27623 1 209 . 1 . 1 24 24 THR HA H 1 4.6640 0.02 . 1 . . . . . 24 THR HA . 27623 1 210 . 1 . 1 24 24 THR HB H 1 4.3860 0.02 . 1 . . . . . 24 THR HB . 27623 1 211 . 1 . 1 24 24 THR HG21 H 1 1.2760 0.02 . 1 . . . . . 24 THR HG21 . 27623 1 212 . 1 . 1 24 24 THR HG22 H 1 1.2760 0.02 . 1 . . . . . 24 THR HG21 . 27623 1 213 . 1 . 1 24 24 THR HG23 H 1 1.2760 0.02 . 1 . . . . . 24 THR HG21 . 27623 1 214 . 1 . 1 24 24 THR C C 13 174.8980 0.2 . 1 . . . . . 24 THR C . 27623 1 215 . 1 . 1 24 24 THR CA C 13 62.1210 0.2 . 1 . . . . . 24 THR CA . 27623 1 216 . 1 . 1 24 24 THR CB C 13 69.9490 0.2 . 1 . . . . . 24 THR CB . 27623 1 217 . 1 . 1 24 24 THR CG2 C 13 21.6630 0.2 . 1 . . . . . 24 THR CG2 . 27623 1 218 . 1 . 1 24 24 THR N N 15 110.8430 0.2 . 1 . . . . . 24 THR N . 27623 1 219 . 1 . 1 25 25 ALA H H 1 8.9160 0.02 . 1 . . . . . 25 ALA HN . 27623 1 220 . 1 . 1 25 25 ALA HA H 1 4.0910 0.02 . 1 . . . . . 25 ALA HA . 27623 1 221 . 1 . 1 25 25 ALA HB1 H 1 1.4680 0.02 . 1 . . . . . 25 ALA HB1 . 27623 1 222 . 1 . 1 25 25 ALA HB2 H 1 1.4680 0.02 . 1 . . . . . 25 ALA HB1 . 27623 1 223 . 1 . 1 25 25 ALA HB3 H 1 1.4680 0.02 . 1 . . . . . 25 ALA HB1 . 27623 1 224 . 1 . 1 25 25 ALA C C 13 181.2130 0.2 . 1 . . . . . 25 ALA C . 27623 1 225 . 1 . 1 25 25 ALA CA C 13 55.4290 0.2 . 1 . . . . . 25 ALA CA . 27623 1 226 . 1 . 1 25 25 ALA CB C 13 17.3520 0.2 . 1 . . . . . 25 ALA CB . 27623 1 227 . 1 . 1 25 25 ALA N N 15 122.8570 0.2 . 1 . . . . . 25 ALA N . 27623 1 228 . 1 . 1 26 26 ARG H H 1 8.5960 0.02 . 1 . . . . . 26 ARG HN . 27623 1 229 . 1 . 1 26 26 ARG HA H 1 4.0460 0.02 . 1 . . . . . 26 ARG HA . 27623 1 230 . 1 . 1 26 26 ARG HB2 H 1 1.7490 0.02 . 2 . . . . . 26 ARG HB1 . 27623 1 231 . 1 . 1 26 26 ARG HB3 H 1 1.8840 0.02 . 2 . . . . . 26 ARG HB2 . 27623 1 232 . 1 . 1 26 26 ARG C C 13 177.4810 0.2 . 1 . . . . . 26 ARG C . 27623 1 233 . 1 . 1 26 26 ARG CA C 13 59.4850 0.2 . 1 . . . . . 26 ARG CA . 27623 1 234 . 1 . 1 26 26 ARG CB C 13 29.6230 0.2 . 1 . . . . . 26 ARG CB . 27623 1 235 . 1 . 1 26 26 ARG CG C 13 26.7750 0.2 . 1 . . . . . 26 ARG CG . 27623 1 236 . 1 . 1 26 26 ARG CD C 13 43.5070 0.2 . 1 . . . . . 26 ARG CD . 27623 1 237 . 1 . 1 26 26 ARG N N 15 117.5540 0.2 . 1 . . . . . 26 ARG N . 27623 1 238 . 1 . 1 27 27 GLU H H 1 7.5220 0.02 . 1 . . . . . 27 GLU HN . 27623 1 239 . 1 . 1 27 27 GLU HA H 1 3.4190 0.02 . 1 . . . . . 27 GLU HA . 27623 1 240 . 1 . 1 27 27 GLU HB2 H 1 1.7090 0.02 . 2 . . . . . 27 GLU HB1 . 27623 1 241 . 1 . 1 27 27 GLU HB3 H 1 2.4110 0.02 . 2 . . . . . 27 GLU HB2 . 27623 1 242 . 1 . 1 27 27 GLU HG2 H 1 2.1880 0.02 . 2 . . . . . 27 GLU HG1 . 27623 1 243 . 1 . 1 27 27 GLU HG3 H 1 2.3180 0.02 . 2 . . . . . 27 GLU HG2 . 27623 1 244 . 1 . 1 27 27 GLU C C 13 178.1890 0.2 . 1 . . . . . 27 GLU C . 27623 1 245 . 1 . 1 27 27 GLU CA C 13 59.3840 0.2 . 1 . . . . . 27 GLU CA . 27623 1 246 . 1 . 1 27 27 GLU CB C 13 30.9330 0.2 . 1 . . . . . 27 GLU CB . 27623 1 247 . 1 . 1 27 27 GLU CG C 13 37.5170 0.2 . 1 . . . . . 27 GLU CG . 27623 1 248 . 1 . 1 27 27 GLU N N 15 117.8390 0.2 . 1 . . . . . 27 GLU N . 27623 1 249 . 1 . 1 28 28 ALA H H 1 8.5650 0.02 . 1 . . . . . 28 ALA HN . 27623 1 250 . 1 . 1 28 28 ALA HA H 1 3.8810 0.02 . 1 . . . . . 28 ALA HA . 27623 1 251 . 1 . 1 28 28 ALA HB1 H 1 1.4670 0.02 . 1 . . . . . 28 ALA HB1 . 27623 1 252 . 1 . 1 28 28 ALA HB2 H 1 1.4670 0.02 . 1 . . . . . 28 ALA HB1 . 27623 1 253 . 1 . 1 28 28 ALA HB3 H 1 1.4670 0.02 . 1 . . . . . 28 ALA HB1 . 27623 1 254 . 1 . 1 28 28 ALA C C 13 179.0120 0.2 . 1 . . . . . 28 ALA C . 27623 1 255 . 1 . 1 28 28 ALA CA C 13 55.5310 0.2 . 1 . . . . . 28 ALA CA . 27623 1 256 . 1 . 1 28 28 ALA CB C 13 18.0420 0.2 . 1 . . . . . 28 ALA CB . 27623 1 257 . 1 . 1 28 28 ALA N N 15 118.0720 0.2 . 1 . . . . . 28 ALA N . 27623 1 258 . 1 . 1 29 29 LYS H H 1 7.9820 0.02 . 1 . . . . . 29 LYS HN . 27623 1 259 . 1 . 1 29 29 LYS HA H 1 4.0860 0.02 . 1 . . . . . 29 LYS HA . 27623 1 260 . 1 . 1 29 29 LYS HB2 H 1 2.0040 0.02 . 2 . . . . . 29 LYS HB1 . 27623 1 261 . 1 . 1 29 29 LYS HB3 H 1 2.0040 0.02 . 2 . . . . . 29 LYS HB2 . 27623 1 262 . 1 . 1 29 29 LYS C C 13 179.1650 0.2 . 1 . . . . . 29 LYS C . 27623 1 263 . 1 . 1 29 29 LYS CA C 13 59.6880 0.2 . 1 . . . . . 29 LYS CA . 27623 1 264 . 1 . 1 29 29 LYS CB C 13 31.8430 0.2 . 1 . . . . . 29 LYS CB . 27623 1 265 . 1 . 1 29 29 LYS CG C 13 24.8870 0.2 . 1 . . . . . 29 LYS CG . 27623 1 266 . 1 . 1 29 29 LYS CD C 13 29.8870 0.2 . 1 . . . . . 29 LYS CD . 27623 1 267 . 1 . 1 29 29 LYS N N 15 117.2760 0.2 . 1 . . . . . 29 LYS N . 27623 1 268 . 1 . 1 30 30 VAL H H 1 8.2850 0.02 . 1 . . . . . 30 VAL HN . 27623 1 269 . 1 . 1 30 30 VAL HA H 1 3.4670 0.02 . 1 . . . . . 30 VAL HA . 27623 1 270 . 1 . 1 30 30 VAL HB H 1 2.1440 0.02 . 1 . . . . . 30 VAL HB . 27623 1 271 . 1 . 1 30 30 VAL HG11 H 1 0.7390 0.02 . 2 . . . . . 30 VAL HG11 . 27623 1 272 . 1 . 1 30 30 VAL HG12 H 1 0.7390 0.02 . 2 . . . . . 30 VAL HG11 . 27623 1 273 . 1 . 1 30 30 VAL HG13 H 1 0.7390 0.02 . 2 . . . . . 30 VAL HG11 . 27623 1 274 . 1 . 1 30 30 VAL HG21 H 1 0.7090 0.02 . 2 . . . . . 30 VAL HG21 . 27623 1 275 . 1 . 1 30 30 VAL HG22 H 1 0.7090 0.02 . 2 . . . . . 30 VAL HG21 . 27623 1 276 . 1 . 1 30 30 VAL HG23 H 1 0.7090 0.02 . 2 . . . . . 30 VAL HG21 . 27623 1 277 . 1 . 1 30 30 VAL CA C 13 67.9160 0.2 . 1 . . . . . 30 VAL CA . 27623 1 278 . 1 . 1 30 30 VAL CB C 13 31.3680 0.2 . 1 . . . . . 30 VAL CB . 27623 1 279 . 1 . 1 30 30 VAL CG1 C 13 21.7290 0.2 . 1 . . . . . 30 VAL CG1 . 27623 1 280 . 1 . 1 30 30 VAL CG2 C 13 25.1070 0.2 . 1 . . . . . 30 VAL CG2 . 27623 1 281 . 1 . 1 30 30 VAL N N 15 119.0470 0.2 . 1 . . . . . 30 VAL N . 27623 1 282 . 1 . 1 31 31 LEU H H 1 8.0680 0.02 . 1 . . . . . 31 LEU HN . 27623 1 283 . 1 . 1 31 31 LEU HA H 1 4.1060 0.02 . 1 . . . . . 31 LEU HA . 27623 1 284 . 1 . 1 31 31 LEU HB2 H 1 1.2510 0.02 . 2 . . . . . 31 LEU HB1 . 27623 1 285 . 1 . 1 31 31 LEU HB3 H 1 1.9660 0.02 . 2 . . . . . 31 LEU HB2 . 27623 1 286 . 1 . 1 31 31 LEU CA C 13 58.4680 0.2 . 1 . . . . . 31 LEU CA . 27623 1 287 . 1 . 1 31 31 LEU CB C 13 40.9400 0.2 . 1 . . . . . 31 LEU CB . 27623 1 288 . 1 . 1 31 31 LEU N N 15 116.0550 0.2 . 1 . . . . . 31 LEU N . 27623 1 289 . 1 . 1 32 32 ARG H H 1 9.0240 0.02 . 1 . . . . . 32 ARG HN . 27623 1 290 . 1 . 1 32 32 ARG HA H 1 3.9320 0.02 . 1 . . . . . 32 ARG HA . 27623 1 291 . 1 . 1 32 32 ARG HB2 H 1 2.0290 0.02 . 2 . . . . . 32 ARG HB1 . 27623 1 292 . 1 . 1 32 32 ARG HB3 H 1 2.0290 0.02 . 2 . . . . . 32 ARG HB2 . 27623 1 293 . 1 . 1 32 32 ARG CA C 13 61.8290 0.2 . 1 . . . . . 32 ARG CA . 27623 1 294 . 1 . 1 32 32 ARG CB C 13 29.4100 0.2 . 1 . . . . . 32 ARG CB . 27623 1 295 . 1 . 1 32 32 ARG CG C 13 27.9790 0.2 . 1 . . . . . 32 ARG CG . 27623 1 296 . 1 . 1 32 32 ARG CD C 13 40.4150 0.2 . 1 . . . . . 32 ARG CD . 27623 1 297 . 1 . 1 32 32 ARG N N 15 117.1370 0.2 . 1 . . . . . 32 ARG N . 27623 1 298 . 1 . 1 33 33 MET H H 1 8.4230 0.02 . 1 . . . . . 33 MET HN . 27623 1 299 . 1 . 1 33 33 MET HA H 1 4.4460 0.02 . 1 . . . . . 33 MET HA . 27623 1 300 . 1 . 1 33 33 MET HB2 H 1 2.1770 0.02 . 2 . . . . . 33 MET HB1 . 27623 1 301 . 1 . 1 33 33 MET HB3 H 1 2.1770 0.02 . 2 . . . . . 33 MET HB2 . 27623 1 302 . 1 . 1 33 33 MET CA C 13 59.1340 0.2 . 1 . . . . . 33 MET CA . 27623 1 303 . 1 . 1 33 33 MET CB C 13 33.9000 0.2 . 1 . . . . . 33 MET CB . 27623 1 304 . 1 . 1 33 33 MET CG C 13 32.7170 0.2 . 1 . . . . . 33 MET CG . 27623 1 305 . 1 . 1 33 33 MET N N 15 115.2190 0.2 . 1 . . . . . 33 MET N . 27623 1 306 . 1 . 1 34 34 ARG H H 1 8.7000 0.02 . 1 . . . . . 34 ARG HN . 27623 1 307 . 1 . 1 34 34 ARG HA H 1 4.2120 0.02 . 1 . . . . . 34 ARG HA . 27623 1 308 . 1 . 1 34 34 ARG HB2 H 1 1.1690 0.02 . 2 . . . . . 34 ARG HB1 . 27623 1 309 . 1 . 1 34 34 ARG HB3 H 1 1.7710 0.02 . 2 . . . . . 34 ARG HB2 . 27623 1 310 . 1 . 1 34 34 ARG C C 13 177.4450 0.2 . 1 . . . . . 34 ARG C . 27623 1 311 . 1 . 1 34 34 ARG CA C 13 56.9490 0.2 . 1 . . . . . 34 ARG CA . 27623 1 312 . 1 . 1 34 34 ARG CB C 13 27.8310 0.2 . 1 . . . . . 34 ARG CB . 27623 1 313 . 1 . 1 34 34 ARG CG C 13 26.0710 0.2 . 1 . . . . . 34 ARG CG . 27623 1 314 . 1 . 1 34 34 ARG CD C 13 40.6120 0.2 . 1 . . . . . 34 ARG CD . 27623 1 315 . 1 . 1 34 34 ARG N N 15 118.7910 0.2 . 1 . . . . . 34 ARG N . 27623 1 316 . 1 . 1 35 35 PHE H H 1 7.8640 0.02 . 1 . . . . . 35 PHE HN . 27623 1 317 . 1 . 1 35 35 PHE HA H 1 4.6280 0.02 . 1 . . . . . 35 PHE HA . 27623 1 318 . 1 . 1 35 35 PHE HB2 H 1 2.5870 0.02 . 2 . . . . . 35 PHE HB1 . 27623 1 319 . 1 . 1 35 35 PHE HB3 H 1 3.5060 0.02 . 2 . . . . . 35 PHE HB2 . 27623 1 320 . 1 . 1 35 35 PHE C C 13 175.4170 0.2 . 1 . . . . . 35 PHE C . 27623 1 321 . 1 . 1 35 35 PHE CA C 13 58.8820 0.2 . 1 . . . . . 35 PHE CA . 27623 1 322 . 1 . 1 35 35 PHE CB C 13 38.7220 0.2 . 1 . . . . . 35 PHE CB . 27623 1 323 . 1 . 1 35 35 PHE N N 15 111.7350 0.2 . 1 . . . . . 35 PHE N . 27623 1 324 . 1 . 1 36 36 GLY H H 1 8.0300 0.02 . 1 . . . . . 36 GLY HN . 27623 1 325 . 1 . 1 36 36 GLY HA2 H 1 3.9240 0.02 . 2 . . . . . 36 GLY HA1 . 27623 1 326 . 1 . 1 36 36 GLY HA3 H 1 3.7380 0.02 . 2 . . . . . 36 GLY HA2 . 27623 1 327 . 1 . 1 36 36 GLY C C 13 175.3810 0.2 . 1 . . . . . 36 GLY C . 27623 1 328 . 1 . 1 36 36 GLY CA C 13 46.0530 0.2 . 1 . . . . . 36 GLY CA . 27623 1 329 . 1 . 1 36 36 GLY N N 15 110.8960 0.2 . 1 . . . . . 36 GLY N . 27623 1 330 . 1 . 1 37 37 ILE HA H 1 3.7540 0.02 . 1 . . . . . 37 ILE HA . 27623 1 331 . 1 . 1 37 37 ILE HB H 1 1.5830 0.02 . 1 . . . . . 37 ILE HB . 27623 1 332 . 1 . 1 37 37 ILE HG12 H 1 1.5620 0.02 . 2 . . . . . 37 ILE HG11 . 27623 1 333 . 1 . 1 37 37 ILE HG13 H 1 1.5620 0.02 . 2 . . . . . 37 ILE HG12 . 27623 1 334 . 1 . 1 37 37 ILE HG21 H 1 0.8850 0.02 . 1 . . . . . 37 ILE HG21 . 27623 1 335 . 1 . 1 37 37 ILE HG22 H 1 0.8850 0.02 . 1 . . . . . 37 ILE HG21 . 27623 1 336 . 1 . 1 37 37 ILE HG23 H 1 0.8850 0.02 . 1 . . . . . 37 ILE HG21 . 27623 1 337 . 1 . 1 37 37 ILE HD11 H 1 0.7700 0.02 . 1 . . . . . 37 ILE HD11 . 27623 1 338 . 1 . 1 37 37 ILE HD12 H 1 0.7700 0.02 . 1 . . . . . 37 ILE HD11 . 27623 1 339 . 1 . 1 37 37 ILE HD13 H 1 0.7700 0.02 . 1 . . . . . 37 ILE HD11 . 27623 1 340 . 1 . 1 37 37 ILE CA C 13 61.7390 0.2 . 1 . . . . . 37 ILE CA . 27623 1 341 . 1 . 1 37 37 ILE CB C 13 38.6600 0.2 . 1 . . . . . 37 ILE CB . 27623 1 342 . 1 . 1 37 37 ILE CG1 C 13 28.7690 0.2 . 1 . . . . . 37 ILE CG1 . 27623 1 343 . 1 . 1 37 37 ILE CG2 C 13 16.8530 0.2 . 1 . . . . . 37 ILE CG2 . 27623 1 344 . 1 . 1 37 37 ILE CD1 C 13 14.4260 0.2 . 1 . . . . . 37 ILE CD1 . 27623 1 345 . 1 . 1 38 38 ASP H H 1 9.4030 0.02 . 1 . . . . . 38 ASP HN . 27623 1 346 . 1 . 1 38 38 ASP HA H 1 4.2850 0.02 . 1 . . . . . 38 ASP HA . 27623 1 347 . 1 . 1 38 38 ASP HB2 H 1 2.9530 0.02 . 2 . . . . . 38 ASP HB1 . 27623 1 348 . 1 . 1 38 38 ASP HB3 H 1 2.9530 0.02 . 2 . . . . . 38 ASP HB2 . 27623 1 349 . 1 . 1 38 38 ASP CA C 13 55.9020 0.2 . 1 . . . . . 38 ASP CA . 27623 1 350 . 1 . 1 38 38 ASP CB C 13 39.2880 0.2 . 1 . . . . . 38 ASP CB . 27623 1 351 . 1 . 1 38 38 ASP N N 15 122.7750 0.2 . 1 . . . . . 38 ASP N . 27623 1 352 . 1 . 1 39 39 MET CA C 13 54.4650 0.2 . 1 . . . . . 39 MET CA . 27623 1 353 . 1 . 1 39 39 MET CB C 13 34.9780 0.2 . 1 . . . . . 39 MET CB . 27623 1 354 . 1 . 1 40 40 ASN HA H 1 4.5210 0.02 . 1 . . . . . 40 ASN HA . 27623 1 355 . 1 . 1 40 40 ASN HB2 H 1 2.8630 0.02 . 2 . . . . . 40 ASN HB1 . 27623 1 356 . 1 . 1 40 40 ASN HB3 H 1 2.8630 0.02 . 2 . . . . . 40 ASN HB2 . 27623 1 357 . 1 . 1 40 40 ASN CA C 13 55.2730 0.2 . 1 . . . . . 40 ASN CA . 27623 1 358 . 1 . 1 40 40 ASN CB C 13 38.3900 0.2 . 1 . . . . . 40 ASN CB . 27623 1 359 . 1 . 1 41 41 THR H H 1 7.7110 0.02 . 1 . . . . . 41 THR HN . 27623 1 360 . 1 . 1 41 41 THR HA H 1 4.5470 0.02 . 1 . . . . . 41 THR HA . 27623 1 361 . 1 . 1 41 41 THR HB H 1 4.1510 0.02 . 1 . . . . . 41 THR HB . 27623 1 362 . 1 . 1 41 41 THR HG21 H 1 0.9420 0.02 . 1 . . . . . 41 THR HG21 . 27623 1 363 . 1 . 1 41 41 THR HG22 H 1 0.9420 0.02 . 1 . . . . . 41 THR HG21 . 27623 1 364 . 1 . 1 41 41 THR HG23 H 1 0.9420 0.02 . 1 . . . . . 41 THR HG21 . 27623 1 365 . 1 . 1 41 41 THR CA C 13 60.3020 0.2 . 1 . . . . . 41 THR CA . 27623 1 366 . 1 . 1 41 41 THR CB C 13 70.2700 0.2 . 1 . . . . . 41 THR CB . 27623 1 367 . 1 . 1 41 41 THR N N 15 110.8580 0.2 . 1 . . . . . 41 THR N . 27623 1 368 . 1 . 1 42 42 ASP H H 1 7.9550 0.02 . 1 . . . . . 42 ASP HN . 27623 1 369 . 1 . 1 42 42 ASP HA H 1 4.3610 0.02 . 1 . . . . . 42 ASP HA . 27623 1 370 . 1 . 1 42 42 ASP HB2 H 1 2.7640 0.02 . 2 . . . . . 42 ASP HB1 . 27623 1 371 . 1 . 1 42 42 ASP HB3 H 1 2.9480 0.02 . 2 . . . . . 42 ASP HB2 . 27623 1 372 . 1 . 1 42 42 ASP CA C 13 56.6200 0.2 . 1 . . . . . 42 ASP CA . 27623 1 373 . 1 . 1 42 42 ASP CB C 13 40.9950 0.2 . 1 . . . . . 42 ASP CB . 27623 1 374 . 1 . 1 42 42 ASP N N 15 116.7060 0.2 . 1 . . . . . 42 ASP N . 27623 1 375 . 1 . 1 43 43 HIS HA H 1 4.9750 0.02 . 1 . . . . . 43 HIS HA . 27623 1 376 . 1 . 1 43 43 HIS HB2 H 1 2.4720 0.02 . 2 . . . . . 43 HIS HB1 . 27623 1 377 . 1 . 1 43 43 HIS HB3 H 1 3.1270 0.02 . 2 . . . . . 43 HIS HB2 . 27623 1 378 . 1 . 1 43 43 HIS CA C 13 55.9020 0.2 . 1 . . . . . 43 HIS CA . 27623 1 379 . 1 . 1 43 43 HIS CB C 13 32.5530 0.2 . 1 . . . . . 43 HIS CB . 27623 1 380 . 1 . 1 44 44 THR H H 1 8.7490 0.02 . 1 . . . . . 44 THR HN . 27623 1 381 . 1 . 1 44 44 THR HA H 1 4.7370 0.02 . 1 . . . . . 44 THR HA . 27623 1 382 . 1 . 1 44 44 THR HB H 1 4.2050 0.02 . 1 . . . . . 44 THR HB . 27623 1 383 . 1 . 1 44 44 THR HG21 H 1 1.3260 0.02 . 1 . . . . . 44 THR HG21 . 27623 1 384 . 1 . 1 44 44 THR HG22 H 1 1.3260 0.02 . 1 . . . . . 44 THR HG21 . 27623 1 385 . 1 . 1 44 44 THR HG23 H 1 1.3260 0.02 . 1 . . . . . 44 THR HG21 . 27623 1 386 . 1 . 1 44 44 THR C C 13 177.7830 0.2 . 1 . . . . . 44 THR C . 27623 1 387 . 1 . 1 44 44 THR CA C 13 61.1100 0.2 . 1 . . . . . 44 THR CA . 27623 1 388 . 1 . 1 44 44 THR CB C 13 71.3470 0.2 . 1 . . . . . 44 THR CB . 27623 1 389 . 1 . 1 44 44 THR N N 15 112.8700 0.2 . 1 . . . . . 44 THR N . 27623 1 390 . 1 . 1 45 45 LEU C C 13 179.5440 0.2 . 1 . . . . . 45 LEU C . 27623 1 391 . 1 . 1 46 46 GLU HA H 1 3.9180 0.02 . 1 . . . . . 46 GLU HA . 27623 1 392 . 1 . 1 46 46 GLU HB2 H 1 1.9280 0.02 . 2 . . . . . 46 GLU HB1 . 27623 1 393 . 1 . 1 46 46 GLU HB3 H 1 1.9280 0.02 . 2 . . . . . 46 GLU HB2 . 27623 1 394 . 1 . 1 46 46 GLU C C 13 179.3310 0.2 . 1 . . . . . 46 GLU C . 27623 1 395 . 1 . 1 46 46 GLU CA C 13 61.9740 0.2 . 1 . . . . . 46 GLU CA . 27623 1 396 . 1 . 1 46 46 GLU CB C 13 28.7960 0.2 . 1 . . . . . 46 GLU CB . 27623 1 397 . 1 . 1 47 47 GLU H H 1 8.0130 0.02 . 1 . . . . . 47 GLU HN . 27623 1 398 . 1 . 1 47 47 GLU HA H 1 3.6940 0.02 . 1 . . . . . 47 GLU HA . 27623 1 399 . 1 . 1 47 47 GLU HB2 H 1 1.7680 0.02 . 2 . . . . . 47 GLU HB1 . 27623 1 400 . 1 . 1 47 47 GLU HB3 H 1 1.7680 0.02 . 2 . . . . . 47 GLU HB2 . 27623 1 401 . 1 . 1 47 47 GLU C C 13 179.1350 0.2 . 1 . . . . . 47 GLU C . 27623 1 402 . 1 . 1 47 47 GLU CA C 13 59.0910 0.2 . 1 . . . . . 47 GLU CA . 27623 1 403 . 1 . 1 47 47 GLU CB C 13 30.3080 0.2 . 1 . . . . . 47 GLU CB . 27623 1 404 . 1 . 1 47 47 GLU N N 15 120.6460 0.2 . 1 . . . . . 47 GLU N . 27623 1 405 . 1 . 1 48 48 VAL H H 1 8.4210 0.02 . 1 . . . . . 48 VAL HN . 27623 1 406 . 1 . 1 48 48 VAL HA H 1 3.5250 0.02 . 1 . . . . . 48 VAL HA . 27623 1 407 . 1 . 1 48 48 VAL HB H 1 2.0830 0.02 . 1 . . . . . 48 VAL HB . 27623 1 408 . 1 . 1 48 48 VAL C C 13 177.9190 0.2 . 1 . . . . . 48 VAL C . 27623 1 409 . 1 . 1 48 48 VAL CA C 13 66.4120 0.2 . 1 . . . . . 48 VAL CA . 27623 1 410 . 1 . 1 48 48 VAL CB C 13 31.6220 0.2 . 1 . . . . . 48 VAL CB . 27623 1 411 . 1 . 1 48 48 VAL CG1 C 13 23.2420 0.2 . 2 . . . . . 48 VAL CG1 . 27623 1 412 . 1 . 1 48 48 VAL CG2 C 13 23.2420 0.2 . 2 . . . . . 48 VAL CG2 . 27623 1 413 . 1 . 1 48 48 VAL N N 15 120.1450 0.2 . 1 . . . . . 48 VAL N . 27623 1 414 . 1 . 1 49 49 GLY H H 1 8.7680 0.02 . 1 . . . . . 49 GLY HN . 27623 1 415 . 1 . 1 49 49 GLY HA2 H 1 3.5250 0.02 . 2 . . . . . 49 GLY HA1 . 27623 1 416 . 1 . 1 49 49 GLY HA3 H 1 3.6230 0.02 . 2 . . . . . 49 GLY HA2 . 27623 1 417 . 1 . 1 49 49 GLY C C 13 176.0400 0.2 . 1 . . . . . 49 GLY C . 27623 1 418 . 1 . 1 49 49 GLY CA C 13 47.8350 0.2 . 1 . . . . . 49 GLY CA . 27623 1 419 . 1 . 1 49 49 GLY N N 15 108.7580 0.2 . 1 . . . . . 49 GLY N . 27623 1 420 . 1 . 1 50 50 LYS H H 1 7.9060 0.02 . 1 . . . . . 50 LYS HN . 27623 1 421 . 1 . 1 50 50 LYS C C 13 179.5260 0.2 . 1 . . . . . 50 LYS C . 27623 1 422 . 1 . 1 50 50 LYS CA C 13 58.8910 0.2 . 1 . . . . . 50 LYS CA . 27623 1 423 . 1 . 1 50 50 LYS CB C 13 31.4150 0.2 . 1 . . . . . 50 LYS CB . 27623 1 424 . 1 . 1 50 50 LYS N N 15 120.4220 0.2 . 1 . . . . . 50 LYS N . 27623 1 425 . 1 . 1 51 51 GLN HA H 1 3.9450 0.02 . 1 . . . . . 51 GLN HA . 27623 1 426 . 1 . 1 51 51 GLN HB2 H 1 1.9370 0.02 . 2 . . . . . 51 GLN HB1 . 27623 1 427 . 1 . 1 51 51 GLN HB3 H 1 1.9100 0.02 . 2 . . . . . 51 GLN HB2 . 27623 1 428 . 1 . 1 51 51 GLN HG2 H 1 2.1200 0.02 . 2 . . . . . 51 GLN HG1 . 27623 1 429 . 1 . 1 51 51 GLN HG3 H 1 2.1200 0.02 . 2 . . . . . 51 GLN HG2 . 27623 1 430 . 1 . 1 51 51 GLN CB C 13 27.7040 0.2 . 1 . . . . . 51 GLN CB . 27623 1 431 . 1 . 1 51 51 GLN CG C 13 32.7330 0.2 . 1 . . . . . 51 GLN CG . 27623 1 432 . 1 . 1 52 52 PHE HA H 1 4.5400 0.02 . 1 . . . . . 52 PHE HA . 27623 1 433 . 1 . 1 52 52 PHE HB2 H 1 2.6870 0.02 . 2 . . . . . 52 PHE HB1 . 27623 1 434 . 1 . 1 52 52 PHE HB3 H 1 3.3320 0.02 . 2 . . . . . 52 PHE HB2 . 27623 1 435 . 1 . 1 52 52 PHE CA C 13 57.9670 0.2 . 1 . . . . . 52 PHE CA . 27623 1 436 . 1 . 1 52 52 PHE CB C 13 40.1860 0.2 . 1 . . . . . 52 PHE CB . 27623 1 437 . 1 . 1 53 53 ASP H H 1 8.0980 0.02 . 1 . . . . . 53 ASP HN . 27623 1 438 . 1 . 1 53 53 ASP HA H 1 4.5260 0.02 . 1 . . . . . 53 ASP HA . 27623 1 439 . 1 . 1 53 53 ASP HB2 H 1 2.8780 0.02 . 2 . . . . . 53 ASP HB1 . 27623 1 440 . 1 . 1 53 53 ASP HB3 H 1 2.8780 0.02 . 2 . . . . . 53 ASP HB2 . 27623 1 441 . 1 . 1 53 53 ASP CA C 13 55.5420 0.2 . 1 . . . . . 53 ASP CA . 27623 1 442 . 1 . 1 53 53 ASP CB C 13 39.7370 0.2 . 1 . . . . . 53 ASP CB . 27623 1 443 . 1 . 1 53 53 ASP N N 15 120.6850 0.2 . 1 . . . . . 53 ASP N . 27623 1 444 . 1 . 1 54 54 VAL HA H 1 4.7870 0.02 . 1 . . . . . 54 VAL HA . 27623 1 445 . 1 . 1 54 54 VAL HB H 1 2.2070 0.02 . 1 . . . . . 54 VAL HB . 27623 1 446 . 1 . 1 54 54 VAL CB C 13 34.8880 0.2 . 1 . . . . . 54 VAL CB . 27623 1 447 . 1 . 1 55 55 THR HA H 1 4.7690 0.02 . 1 . . . . . 55 THR HA . 27623 1 448 . 1 . 1 55 55 THR HB H 1 4.3070 0.02 . 1 . . . . . 55 THR HB . 27623 1 449 . 1 . 1 55 55 THR CA C 13 61.3800 0.2 . 1 . . . . . 55 THR CA . 27623 1 450 . 1 . 1 55 55 THR CB C 13 71.2580 0.2 . 1 . . . . . 55 THR CB . 27623 1 451 . 1 . 1 55 55 THR CG2 C 13 21.7710 0.2 . 1 . . . . . 55 THR CG2 . 27623 1 452 . 1 . 1 56 56 ARG H H 1 8.9340 0.02 . 1 . . . . . 56 ARG HN . 27623 1 453 . 1 . 1 56 56 ARG HA H 1 3.8170 0.02 . 1 . . . . . 56 ARG HA . 27623 1 454 . 1 . 1 56 56 ARG HB2 H 1 1.8410 0.02 . 2 . . . . . 56 ARG HB1 . 27623 1 455 . 1 . 1 56 56 ARG HB3 H 1 1.8410 0.02 . 2 . . . . . 56 ARG HB2 . 27623 1 456 . 1 . 1 56 56 ARG CA C 13 58.9550 0.2 . 1 . . . . . 56 ARG CA . 27623 1 457 . 1 . 1 56 56 ARG CB C 13 29.5900 0.2 . 1 . . . . . 56 ARG CB . 27623 1 458 . 1 . 1 56 56 ARG CG C 13 26.4000 0.2 . 1 . . . . . 56 ARG CG . 27623 1 459 . 1 . 1 56 56 ARG CD C 13 43.5070 0.2 . 1 . . . . . 56 ARG CD . 27623 1 460 . 1 . 1 56 56 ARG N N 15 119.1950 0.2 . 1 . . . . . 56 ARG N . 27623 1 461 . 1 . 1 57 57 GLU H H 1 8.1800 0.02 . 1 . . . . . 57 GLU HN . 27623 1 462 . 1 . 1 57 57 GLU HA H 1 4.1020 0.02 . 1 . . . . . 57 GLU HA . 27623 1 463 . 1 . 1 57 57 GLU HB2 H 1 1.8790 0.02 . 2 . . . . . 57 GLU HB1 . 27623 1 464 . 1 . 1 57 57 GLU HB3 H 1 2.0610 0.02 . 2 . . . . . 57 GLU HB2 . 27623 1 465 . 1 . 1 57 57 GLU CA C 13 59.0450 0.2 . 1 . . . . . 57 GLU CA . 27623 1 466 . 1 . 1 57 57 GLU CB C 13 28.8710 0.2 . 1 . . . . . 57 GLU CB . 27623 1 467 . 1 . 1 57 57 GLU CG C 13 36.4010 0.2 . 1 . . . . . 57 GLU CG . 27623 1 468 . 1 . 1 57 57 GLU N N 15 118.1310 0.2 . 1 . . . . . 57 GLU N . 27623 1 469 . 1 . 1 58 58 ARG H H 1 7.8650 0.02 . 1 . . . . . 58 ARG HN . 27623 1 470 . 1 . 1 58 58 ARG CA C 13 57.8770 0.2 . 1 . . . . . 58 ARG CA . 27623 1 471 . 1 . 1 58 58 ARG CB C 13 28.6020 0.2 . 1 . . . . . 58 ARG CB . 27623 1 472 . 1 . 1 58 58 ARG N N 15 120.9060 0.2 . 1 . . . . . 58 ARG N . 27623 1 473 . 1 . 1 59 59 ILE C C 13 177.3540 0.2 . 1 . . . . . 59 ILE C . 27623 1 474 . 1 . 1 59 59 ILE CA C 13 61.5730 0.2 . 1 . . . . . 59 ILE CA . 27623 1 475 . 1 . 1 60 60 ARG H H 1 8.3460 0.02 . 1 . . . . . 60 ARG HN . 27623 1 476 . 1 . 1 60 60 ARG HA H 1 3.8720 0.02 . 1 . . . . . 60 ARG HA . 27623 1 477 . 1 . 1 60 60 ARG HB2 H 1 1.9080 0.02 . 2 . . . . . 60 ARG HB1 . 27623 1 478 . 1 . 1 60 60 ARG HB3 H 1 2.0620 0.02 . 2 . . . . . 60 ARG HB2 . 27623 1 479 . 1 . 1 60 60 ARG C C 13 179.2400 0.2 . 1 . . . . . 60 ARG C . 27623 1 480 . 1 . 1 60 60 ARG CA C 13 59.7930 0.2 . 1 . . . . . 60 ARG CA . 27623 1 481 . 1 . 1 60 60 ARG CB C 13 29.2950 0.2 . 1 . . . . . 60 ARG CB . 27623 1 482 . 1 . 1 60 60 ARG CG C 13 27.3090 0.2 . 1 . . . . . 60 ARG CG . 27623 1 483 . 1 . 1 60 60 ARG CD C 13 42.9810 0.2 . 1 . . . . . 60 ARG CD . 27623 1 484 . 1 . 1 60 60 ARG N N 15 121.0890 0.2 . 1 . . . . . 60 ARG N . 27623 1 485 . 1 . 1 61 61 GLN H H 1 7.9270 0.02 . 1 . . . . . 61 GLN HN . 27623 1 486 . 1 . 1 61 61 GLN HA H 1 4.0970 0.02 . 1 . . . . . 61 GLN HA . 27623 1 487 . 1 . 1 61 61 GLN HB2 H 1 2.1210 0.02 . 2 . . . . . 61 GLN HB1 . 27623 1 488 . 1 . 1 61 61 GLN HB3 H 1 2.3460 0.02 . 2 . . . . . 61 GLN HB2 . 27623 1 489 . 1 . 1 61 61 GLN HG2 H 1 2.3830 0.02 . 2 . . . . . 61 GLN HG1 . 27623 1 490 . 1 . 1 61 61 GLN HG3 H 1 2.6630 0.02 . 2 . . . . . 61 GLN HG2 . 27623 1 491 . 1 . 1 61 61 GLN C C 13 179.2890 0.2 . 1 . . . . . 61 GLN C . 27623 1 492 . 1 . 1 61 61 GLN CA C 13 58.9160 0.2 . 1 . . . . . 61 GLN CA . 27623 1 493 . 1 . 1 61 61 GLN CB C 13 27.7730 0.2 . 1 . . . . . 61 GLN CB . 27623 1 494 . 1 . 1 61 61 GLN CG C 13 33.2720 0.2 . 1 . . . . . 61 GLN CG . 27623 1 495 . 1 . 1 61 61 GLN N N 15 117.9420 0.2 . 1 . . . . . 61 GLN N . 27623 1 496 . 1 . 1 62 62 ILE H H 1 8.2460 0.02 . 1 . . . . . 62 ILE HN . 27623 1 497 . 1 . 1 62 62 ILE HA H 1 3.6870 0.02 . 1 . . . . . 62 ILE HA . 27623 1 498 . 1 . 1 62 62 ILE HB H 1 1.8070 0.02 . 1 . . . . . 62 ILE HB . 27623 1 499 . 1 . 1 62 62 ILE HG12 H 1 1.8710 0.02 . 2 . . . . . 62 ILE HG12 . 27623 1 500 . 1 . 1 62 62 ILE HG21 H 1 0.8190 0.02 . 1 . . . . . 62 ILE HG21 . 27623 1 501 . 1 . 1 62 62 ILE HG22 H 1 0.8190 0.02 . 1 . . . . . 62 ILE HG21 . 27623 1 502 . 1 . 1 62 62 ILE HG23 H 1 0.8190 0.02 . 1 . . . . . 62 ILE HG21 . 27623 1 503 . 1 . 1 62 62 ILE HD11 H 1 0.6190 0.02 . 1 . . . . . 62 ILE HD11 . 27623 1 504 . 1 . 1 62 62 ILE HD12 H 1 0.6190 0.02 . 1 . . . . . 62 ILE HD11 . 27623 1 505 . 1 . 1 62 62 ILE HD13 H 1 0.6190 0.02 . 1 . . . . . 62 ILE HD11 . 27623 1 506 . 1 . 1 62 62 ILE C C 13 178.0040 0.2 . 1 . . . . . 62 ILE C . 27623 1 507 . 1 . 1 62 62 ILE CA C 13 65.4090 0.2 . 1 . . . . . 62 ILE CA . 27623 1 508 . 1 . 1 62 62 ILE CB C 13 37.8790 0.2 . 1 . . . . . 62 ILE CB . 27623 1 509 . 1 . 1 62 62 ILE CG1 C 13 28.4400 0.2 . 1 . . . . . 62 ILE CG1 . 27623 1 510 . 1 . 1 62 62 ILE CG2 C 13 17.7810 0.2 . 1 . . . . . 62 ILE CG2 . 27623 1 511 . 1 . 1 62 62 ILE CD1 C 13 13.9560 0.2 . 1 . . . . . 62 ILE CD1 . 27623 1 512 . 1 . 1 62 62 ILE N N 15 122.3340 0.2 . 1 . . . . . 62 ILE N . 27623 1 513 . 1 . 1 63 63 GLU HA H 1 3.6610 0.02 . 1 . . . . . 63 GLU HA . 27623 1 514 . 1 . 1 63 63 GLU HB2 H 1 1.8900 0.02 . 2 . . . . . 63 GLU HB1 . 27623 1 515 . 1 . 1 63 63 GLU HB3 H 1 2.1770 0.02 . 2 . . . . . 63 GLU HB2 . 27623 1 516 . 1 . 1 63 63 GLU HG2 H 1 1.9360 0.02 . 2 . . . . . 63 GLU HG1 . 27623 1 517 . 1 . 1 63 63 GLU HG3 H 1 2.0660 0.02 . 2 . . . . . 63 GLU HG2 . 27623 1 518 . 1 . 1 63 63 GLU C C 13 177.2790 0.2 . 1 . . . . . 63 GLU C . 27623 1 519 . 1 . 1 63 63 GLU CA C 13 59.8940 0.2 . 1 . . . . . 63 GLU CA . 27623 1 520 . 1 . 1 63 63 GLU CB C 13 29.9610 0.2 . 1 . . . . . 63 GLU CB . 27623 1 521 . 1 . 1 63 63 GLU CG C 13 37.1170 0.2 . 1 . . . . . 63 GLU CG . 27623 1 522 . 1 . 1 64 64 ALA H H 1 8.3050 0.02 . 1 . . . . . 64 ALA HN . 27623 1 523 . 1 . 1 64 64 ALA HA H 1 4.1010 0.02 . 1 . . . . . 64 ALA HA . 27623 1 524 . 1 . 1 64 64 ALA HB1 H 1 1.5020 0.02 . 1 . . . . . 64 ALA HB1 . 27623 1 525 . 1 . 1 64 64 ALA HB2 H 1 1.5020 0.02 . 1 . . . . . 64 ALA HB1 . 27623 1 526 . 1 . 1 64 64 ALA HB3 H 1 1.5020 0.02 . 1 . . . . . 64 ALA HB1 . 27623 1 527 . 1 . 1 64 64 ALA C C 13 180.9870 0.2 . 1 . . . . . 64 ALA C . 27623 1 528 . 1 . 1 64 64 ALA CA C 13 55.2560 0.2 . 1 . . . . . 64 ALA CA . 27623 1 529 . 1 . 1 64 64 ALA CB C 13 17.6260 0.2 . 1 . . . . . 64 ALA CB . 27623 1 530 . 1 . 1 64 64 ALA N N 15 118.7150 0.2 . 1 . . . . . 64 ALA N . 27623 1 531 . 1 . 1 65 65 LYS H H 1 8.0300 0.02 . 1 . . . . . 65 LYS HN . 27623 1 532 . 1 . 1 65 65 LYS HA H 1 3.9910 0.02 . 1 . . . . . 65 LYS HA . 27623 1 533 . 1 . 1 65 65 LYS HB2 H 1 2.0010 0.02 . 2 . . . . . 65 LYS HB1 . 27623 1 534 . 1 . 1 65 65 LYS HB3 H 1 2.0010 0.02 . 2 . . . . . 65 LYS HB2 . 27623 1 535 . 1 . 1 65 65 LYS C C 13 178.4980 0.2 . 1 . . . . . 65 LYS C . 27623 1 536 . 1 . 1 65 65 LYS CA C 13 59.3920 0.2 . 1 . . . . . 65 LYS CA . 27623 1 537 . 1 . 1 65 65 LYS CB C 13 31.5340 0.2 . 1 . . . . . 65 LYS CB . 27623 1 538 . 1 . 1 65 65 LYS CG C 13 24.9730 0.2 . 1 . . . . . 65 LYS CG . 27623 1 539 . 1 . 1 65 65 LYS CD C 13 29.4930 0.2 . 1 . . . . . 65 LYS CD . 27623 1 540 . 1 . 1 65 65 LYS N N 15 119.2480 0.2 . 1 . . . . . 65 LYS N . 27623 1 541 . 1 . 1 66 66 ALA H H 1 8.5260 0.02 . 1 . . . . . 66 ALA HN . 27623 1 542 . 1 . 1 66 66 ALA HA H 1 3.9210 0.02 . 1 . . . . . 66 ALA HA . 27623 1 543 . 1 . 1 66 66 ALA HB1 H 1 1.4630 0.02 . 1 . . . . . 66 ALA HB1 . 27623 1 544 . 1 . 1 66 66 ALA HB2 H 1 1.4630 0.02 . 1 . . . . . 66 ALA HB1 . 27623 1 545 . 1 . 1 66 66 ALA HB3 H 1 1.4630 0.02 . 1 . . . . . 66 ALA HB1 . 27623 1 546 . 1 . 1 66 66 ALA C C 13 179.1740 0.2 . 1 . . . . . 66 ALA C . 27623 1 547 . 1 . 1 66 66 ALA CA C 13 55.0410 0.2 . 1 . . . . . 66 ALA CA . 27623 1 548 . 1 . 1 66 66 ALA CB C 13 18.0830 0.2 . 1 . . . . . 66 ALA CB . 27623 1 549 . 1 . 1 66 66 ALA N N 15 122.0750 0.2 . 1 . . . . . 66 ALA N . 27623 1 550 . 1 . 1 67 67 LEU H H 1 8.5300 0.02 . 1 . . . . . 67 LEU HN . 27623 1 551 . 1 . 1 67 67 LEU HA H 1 3.8500 0.02 . 1 . . . . . 67 LEU HA . 27623 1 552 . 1 . 1 67 67 LEU HB2 H 1 1.2080 0.02 . 2 . . . . . 67 LEU HB1 . 27623 1 553 . 1 . 1 67 67 LEU HB3 H 1 1.9480 0.02 . 2 . . . . . 67 LEU HB2 . 27623 1 554 . 1 . 1 67 67 LEU C C 13 178.7950 0.2 . 1 . . . . . 67 LEU C . 27623 1 555 . 1 . 1 67 67 LEU CA C 13 58.1390 0.2 . 1 . . . . . 67 LEU CA . 27623 1 556 . 1 . 1 67 67 LEU CB C 13 40.7210 0.2 . 1 . . . . . 67 LEU CB . 27623 1 557 . 1 . 1 67 67 LEU CG C 13 26.5970 0.2 . 1 . . . . . 67 LEU CG . 27623 1 558 . 1 . 1 67 67 LEU N N 15 116.0090 0.2 . 1 . . . . . 67 LEU N . 27623 1 559 . 1 . 1 68 68 ARG H H 1 7.8810 0.02 . 1 . . . . . 68 ARG HN . 27623 1 560 . 1 . 1 68 68 ARG HA H 1 3.9160 0.02 . 1 . . . . . 68 ARG HA . 27623 1 561 . 1 . 1 68 68 ARG HB2 H 1 1.9920 0.02 . 2 . . . . . 68 ARG HB1 . 27623 1 562 . 1 . 1 68 68 ARG HB3 H 1 1.9920 0.02 . 2 . . . . . 68 ARG HB2 . 27623 1 563 . 1 . 1 68 68 ARG HG2 H 1 1.6380 0.02 . 2 . . . . . 68 ARG HG1 . 27623 1 564 . 1 . 1 68 68 ARG HG3 H 1 1.6380 0.02 . 2 . . . . . 68 ARG HG2 . 27623 1 565 . 1 . 1 68 68 ARG C C 13 180.1300 0.2 . 1 . . . . . 68 ARG C . 27623 1 566 . 1 . 1 68 68 ARG CA C 13 60.1690 0.2 . 1 . . . . . 68 ARG CA . 27623 1 567 . 1 . 1 68 68 ARG CB C 13 29.1990 0.2 . 1 . . . . . 68 ARG CB . 27623 1 568 . 1 . 1 68 68 ARG CG C 13 26.9920 0.2 . 1 . . . . . 68 ARG CG . 27623 1 569 . 1 . 1 68 68 ARG CD C 13 44.7570 0.2 . 1 . . . . . 68 ARG CD . 27623 1 570 . 1 . 1 68 68 ARG N N 15 117.3530 0.2 . 1 . . . . . 68 ARG N . 27623 1 571 . 1 . 1 69 69 LYS H H 1 7.9270 0.02 . 1 . . . . . 69 LYS HN . 27623 1 572 . 1 . 1 69 69 LYS HA H 1 3.9730 0.02 . 1 . . . . . 69 LYS HA . 27623 1 573 . 1 . 1 69 69 LYS HB2 H 1 1.6130 0.02 . 2 . . . . . 69 LYS HB1 . 27623 1 574 . 1 . 1 69 69 LYS HB3 H 1 2.0490 0.02 . 2 . . . . . 69 LYS HB2 . 27623 1 575 . 1 . 1 69 69 LYS HG2 H 1 1.3080 0.02 . 2 . . . . . 69 LYS HG1 . 27623 1 576 . 1 . 1 69 69 LYS HG3 H 1 1.3080 0.02 . 2 . . . . . 69 LYS HG2 . 27623 1 577 . 1 . 1 69 69 LYS C C 13 180.0150 0.2 . 1 . . . . . 69 LYS C . 27623 1 578 . 1 . 1 69 69 LYS CA C 13 60.1190 0.2 . 1 . . . . . 69 LYS CA . 27623 1 579 . 1 . 1 69 69 LYS CB C 13 32.0420 0.2 . 1 . . . . . 69 LYS CB . 27623 1 580 . 1 . 1 69 69 LYS CG C 13 25.6760 0.2 . 1 . . . . . 69 LYS CG . 27623 1 581 . 1 . 1 69 69 LYS N N 15 119.2040 0.2 . 1 . . . . . 69 LYS N . 27623 1 582 . 1 . 1 70 70 LEU H H 1 7.8290 0.02 . 1 . . . . . 70 LEU HN . 27623 1 583 . 1 . 1 70 70 LEU HA H 1 3.9120 0.02 . 1 . . . . . 70 LEU HA . 27623 1 584 . 1 . 1 70 70 LEU HB2 H 1 1.2340 0.02 . 2 . . . . . 70 LEU HB1 . 27623 1 585 . 1 . 1 70 70 LEU HB3 H 1 1.9040 0.02 . 2 . . . . . 70 LEU HB2 . 27623 1 586 . 1 . 1 70 70 LEU C C 13 175.3840 0.2 . 1 . . . . . 70 LEU C . 27623 1 587 . 1 . 1 70 70 LEU CA C 13 56.6340 0.2 . 1 . . . . . 70 LEU CA . 27623 1 588 . 1 . 1 70 70 LEU CB C 13 40.5180 0.2 . 1 . . . . . 70 LEU CB . 27623 1 589 . 1 . 1 70 70 LEU CG C 13 25.8080 0.2 . 1 . . . . . 70 LEU CG . 27623 1 590 . 1 . 1 70 70 LEU CD1 C 13 23.0440 0.2 . 1 . . . . . 70 LEU CD1 . 27623 1 591 . 1 . 1 70 70 LEU CD2 C 13 23.0440 0.2 . 1 . . . . . 70 LEU CD2 . 27623 1 592 . 1 . 1 70 70 LEU N N 15 117.6450 0.2 . 1 . . . . . 70 LEU N . 27623 1 593 . 1 . 1 71 71 ARG H H 1 7.3880 0.02 . 1 . . . . . 71 ARG HN . 27623 1 594 . 1 . 1 71 71 ARG HA H 1 3.7660 0.02 . 1 . . . . . 71 ARG HA . 27623 1 595 . 1 . 1 71 71 ARG HB2 H 1 1.7140 0.02 . 2 . . . . . 71 ARG HB1 . 27623 1 596 . 1 . 1 71 71 ARG HB3 H 1 1.8990 0.02 . 2 . . . . . 71 ARG HB2 . 27623 1 597 . 1 . 1 71 71 ARG C C 13 177.3290 0.2 . 1 . . . . . 71 ARG C . 27623 1 598 . 1 . 1 71 71 ARG CA C 13 56.7980 0.2 . 1 . . . . . 71 ARG CA . 27623 1 599 . 1 . 1 71 71 ARG CB C 13 29.8590 0.2 . 1 . . . . . 71 ARG CB . 27623 1 600 . 1 . 1 71 71 ARG N N 15 112.9480 0.2 . 1 . . . . . 71 ARG N . 27623 1 601 . 1 . 1 72 72 HIS H H 1 7.5980 0.02 . 1 . . . . . 72 HIS HN . 27623 1 602 . 1 . 1 72 72 HIS C C 13 175.9610 0.2 . 1 . . . . . 72 HIS C . 27623 1 603 . 1 . 1 72 72 HIS CA C 13 56.6720 0.2 . 1 . . . . . 72 HIS CA . 27623 1 604 . 1 . 1 72 72 HIS CB C 13 31.0260 0.2 . 1 . . . . . 72 HIS CB . 27623 1 605 . 1 . 1 72 72 HIS N N 15 123.5640 0.2 . 1 . . . . . 72 HIS N . 27623 1 606 . 1 . 1 73 73 PRO HA H 1 4.5110 0.02 . 1 . . . . . 73 PRO HA . 27623 1 607 . 1 . 1 73 73 PRO HB2 H 1 1.9260 0.02 . 2 . . . . . 73 PRO HB1 . 27623 1 608 . 1 . 1 73 73 PRO HB3 H 1 2.3750 0.02 . 2 . . . . . 73 PRO HB2 . 27623 1 609 . 1 . 1 73 73 PRO C C 13 175.7630 0.2 . 1 . . . . . 73 PRO C . 27623 1 610 . 1 . 1 73 73 PRO CA C 13 61.1440 0.2 . 1 . . . . . 73 PRO CA . 27623 1 611 . 1 . 1 73 73 PRO CB C 13 31.4830 0.2 . 1 . . . . . 73 PRO CB . 27623 1 612 . 1 . 1 73 73 PRO CG C 13 27.3210 0.2 . 1 . . . . . 73 PRO CG . 27623 1 613 . 1 . 1 73 73 PRO CD C 13 50.3500 0.2 . 1 . . . . . 73 PRO CD . 27623 1 614 . 1 . 1 74 74 SER H H 1 9.4760 0.02 . 1 . . . . . 74 SER HN . 27623 1 615 . 1 . 1 74 74 SER HA H 1 4.3140 0.02 . 1 . . . . . 74 SER HA . 27623 1 616 . 1 . 1 74 74 SER HB2 H 1 3.9920 0.02 . 2 . . . . . 74 SER HB1 . 27623 1 617 . 1 . 1 74 74 SER HB3 H 1 3.9920 0.02 . 2 . . . . . 74 SER HB2 . 27623 1 618 . 1 . 1 74 74 SER C C 13 177.9710 0.2 . 1 . . . . . 74 SER C . 27623 1 619 . 1 . 1 74 74 SER CA C 13 65.2960 0.2 . 1 . . . . . 74 SER CA . 27623 1 620 . 1 . 1 74 74 SER CB C 13 62.4970 0.2 . 1 . . . . . 74 SER CB . 27623 1 621 . 1 . 1 74 74 SER N N 15 114.0860 0.2 . 1 . . . . . 74 SER N . 27623 1 622 . 1 . 1 75 75 ARG H H 1 8.2470 0.02 . 1 . . . . . 75 ARG HN . 27623 1 623 . 1 . 1 75 75 ARG HA H 1 4.6650 0.02 . 1 . . . . . 75 ARG HA . 27623 1 624 . 1 . 1 75 75 ARG HB2 H 1 1.7980 0.02 . 2 . . . . . 75 ARG HB1 . 27623 1 625 . 1 . 1 75 75 ARG HB3 H 1 2.1150 0.02 . 2 . . . . . 75 ARG HB2 . 27623 1 626 . 1 . 1 75 75 ARG C C 13 177.5920 0.2 . 1 . . . . . 75 ARG C . 27623 1 627 . 1 . 1 75 75 ARG CA C 13 57.2410 0.2 . 1 . . . . . 75 ARG CA . 27623 1 628 . 1 . 1 75 75 ARG CB C 13 30.8740 0.2 . 1 . . . . . 75 ARG CB . 27623 1 629 . 1 . 1 75 75 ARG CG C 13 27.7820 0.2 . 1 . . . . . 75 ARG CG . 27623 1 630 . 1 . 1 75 75 ARG CD C 13 43.0470 0.2 . 1 . . . . . 75 ARG CD . 27623 1 631 . 1 . 1 75 75 ARG N N 15 120.1870 0.2 . 1 . . . . . 75 ARG N . 27623 1 632 . 1 . 1 76 76 SER H H 1 8.4580 0.02 . 1 . . . . . 76 SER HN . 27623 1 633 . 1 . 1 76 76 SER HA H 1 4.3340 0.02 . 1 . . . . . 76 SER HA . 27623 1 634 . 1 . 1 76 76 SER HB2 H 1 4.1520 0.02 . 2 . . . . . 76 SER HB1 . 27623 1 635 . 1 . 1 76 76 SER HB3 H 1 4.1520 0.02 . 2 . . . . . 76 SER HB2 . 27623 1 636 . 1 . 1 76 76 SER C C 13 176.9170 0.2 . 1 . . . . . 76 SER C . 27623 1 637 . 1 . 1 76 76 SER CA C 13 60.0830 0.2 . 1 . . . . . 76 SER CA . 27623 1 638 . 1 . 1 76 76 SER CB C 13 63.2580 0.2 . 1 . . . . . 76 SER CB . 27623 1 639 . 1 . 1 76 76 SER N N 15 112.3450 0.2 . 1 . . . . . 76 SER N . 27623 1 640 . 1 . 1 77 77 GLU H H 1 8.1940 0.02 . 1 . . . . . 77 GLU HN . 27623 1 641 . 1 . 1 77 77 GLU HA H 1 4.1500 0.02 . 1 . . . . . 77 GLU HA . 27623 1 642 . 1 . 1 77 77 GLU HB2 H 1 2.0800 0.02 . 2 . . . . . 77 GLU HB1 . 27623 1 643 . 1 . 1 77 77 GLU HB3 H 1 2.2820 0.02 . 2 . . . . . 77 GLU HB2 . 27623 1 644 . 1 . 1 77 77 GLU HG2 H 1 2.3760 0.02 . 2 . . . . . 77 GLU HG1 . 27623 1 645 . 1 . 1 77 77 GLU HG3 H 1 2.3760 0.02 . 2 . . . . . 77 GLU HG2 . 27623 1 646 . 1 . 1 77 77 GLU C C 13 178.8770 0.2 . 1 . . . . . 77 GLU C . 27623 1 647 . 1 . 1 77 77 GLU CA C 13 59.7110 0.2 . 1 . . . . . 77 GLU CA . 27623 1 648 . 1 . 1 77 77 GLU CB C 13 28.3870 0.2 . 1 . . . . . 77 GLU CB . 27623 1 649 . 1 . 1 77 77 GLU CG C 13 35.9410 0.2 . 1 . . . . . 77 GLU CG . 27623 1 650 . 1 . 1 77 77 GLU N N 15 122.8560 0.2 . 1 . . . . . 77 GLU N . 27623 1 651 . 1 . 1 78 78 VAL H H 1 7.8800 0.02 . 1 . . . . . 78 VAL HN . 27623 1 652 . 1 . 1 78 78 VAL HA H 1 3.9730 0.02 . 1 . . . . . 78 VAL HA . 27623 1 653 . 1 . 1 78 78 VAL HB H 1 2.2560 0.02 . 1 . . . . . 78 VAL HB . 27623 1 654 . 1 . 1 78 78 VAL HG11 H 1 1.0720 0.02 . 2 . . . . . 78 VAL HG11 . 27623 1 655 . 1 . 1 78 78 VAL HG12 H 1 1.0720 0.02 . 2 . . . . . 78 VAL HG11 . 27623 1 656 . 1 . 1 78 78 VAL HG13 H 1 1.0720 0.02 . 2 . . . . . 78 VAL HG11 . 27623 1 657 . 1 . 1 78 78 VAL HG21 H 1 1.0720 0.02 . 2 . . . . . 78 VAL HG21 . 27623 1 658 . 1 . 1 78 78 VAL HG22 H 1 1.0720 0.02 . 2 . . . . . 78 VAL HG21 . 27623 1 659 . 1 . 1 78 78 VAL HG23 H 1 1.0720 0.02 . 2 . . . . . 78 VAL HG21 . 27623 1 660 . 1 . 1 78 78 VAL C C 13 177.4420 0.2 . 1 . . . . . 78 VAL C . 27623 1 661 . 1 . 1 78 78 VAL CA C 13 64.5470 0.2 . 1 . . . . . 78 VAL CA . 27623 1 662 . 1 . 1 78 78 VAL CB C 13 31.0770 0.2 . 1 . . . . . 78 VAL CB . 27623 1 663 . 1 . 1 78 78 VAL CG1 C 13 20.7030 0.2 . 2 . . . . . 78 VAL CG1 . 27623 1 664 . 1 . 1 78 78 VAL CG2 C 13 20.7030 0.2 . 2 . . . . . 78 VAL CG2 . 27623 1 665 . 1 . 1 78 78 VAL N N 15 116.1370 0.2 . 1 . . . . . 78 VAL N . 27623 1 666 . 1 . 1 79 79 LEU H H 1 7.6540 0.02 . 1 . . . . . 79 LEU HN . 27623 1 667 . 1 . 1 79 79 LEU HA H 1 4.6030 0.02 . 1 . . . . . 79 LEU HA . 27623 1 668 . 1 . 1 79 79 LEU HB2 H 1 1.7980 0.02 . 2 . . . . . 79 LEU HB1 . 27623 1 669 . 1 . 1 79 79 LEU HB3 H 1 2.1190 0.02 . 2 . . . . . 79 LEU HB2 . 27623 1 670 . 1 . 1 79 79 LEU C C 13 178.1190 0.2 . 1 . . . . . 79 LEU C . 27623 1 671 . 1 . 1 79 79 LEU CA C 13 55.6850 0.2 . 1 . . . . . 79 LEU CA . 27623 1 672 . 1 . 1 79 79 LEU CB C 13 41.3310 0.2 . 1 . . . . . 79 LEU CB . 27623 1 673 . 1 . 1 79 79 LEU CG C 13 25.2820 0.2 . 1 . . . . . 79 LEU CG . 27623 1 674 . 1 . 1 79 79 LEU CD1 C 13 18.5700 0.2 . 2 . . . . . 79 LEU CD1 . 27623 1 675 . 1 . 1 79 79 LEU CD2 C 13 22.4520 0.2 . 2 . . . . . 79 LEU CD2 . 27623 1 676 . 1 . 1 79 79 LEU N N 15 117.5260 0.2 . 1 . . . . . 79 LEU N . 27623 1 677 . 1 . 1 80 80 ARG H H 1 8.0080 0.02 . 1 . . . . . 80 ARG HN . 27623 1 678 . 1 . 1 80 80 ARG HA H 1 3.3980 0.02 . 1 . . . . . 80 ARG HA . 27623 1 679 . 1 . 1 80 80 ARG HB2 H 1 1.8110 0.02 . 2 . . . . . 80 ARG HB1 . 27623 1 680 . 1 . 1 80 80 ARG HB3 H 1 1.8110 0.02 . 2 . . . . . 80 ARG HB2 . 27623 1 681 . 1 . 1 80 80 ARG HG2 H 1 1.3990 0.02 . 2 . . . . . 80 ARG HG1 . 27623 1 682 . 1 . 1 80 80 ARG HG3 H 1 1.3990 0.02 . 2 . . . . . 80 ARG HG2 . 27623 1 683 . 1 . 1 80 80 ARG HD2 H 1 3.0950 0.02 . 2 . . . . . 80 ARG HD1 . 27623 1 684 . 1 . 1 80 80 ARG HD3 H 1 3.0950 0.02 . 2 . . . . . 80 ARG HD2 . 27623 1 685 . 1 . 1 80 80 ARG C C 13 178.5640 0.2 . 1 . . . . . 80 ARG C . 27623 1 686 . 1 . 1 80 80 ARG CA C 13 59.2710 0.2 . 1 . . . . . 80 ARG CA . 27623 1 687 . 1 . 1 80 80 ARG CB C 13 29.1480 0.2 . 1 . . . . . 80 ARG CB . 27623 1 688 . 1 . 1 80 80 ARG CG C 13 26.9920 0.2 . 1 . . . . . 80 ARG CG . 27623 1 689 . 1 . 1 80 80 ARG CD C 13 42.7180 0.2 . 1 . . . . . 80 ARG CD . 27623 1 690 . 1 . 1 80 80 ARG N N 15 117.8410 0.2 . 1 . . . . . 80 ARG N . 27623 1 691 . 1 . 1 81 81 SER H H 1 7.8840 0.02 . 1 . . . . . 81 SER HN . 27623 1 692 . 1 . 1 81 81 SER HA H 1 4.0150 0.02 . 1 . . . . . 81 SER HA . 27623 1 693 . 1 . 1 81 81 SER HB2 H 1 3.5740 0.02 . 2 . . . . . 81 SER HB1 . 27623 1 694 . 1 . 1 81 81 SER HB3 H 1 3.5740 0.02 . 2 . . . . . 81 SER HB2 . 27623 1 695 . 1 . 1 81 81 SER C C 13 174.7750 0.2 . 1 . . . . . 81 SER C . 27623 1 696 . 1 . 1 81 81 SER CA C 13 60.5220 0.2 . 1 . . . . . 81 SER CA . 27623 1 697 . 1 . 1 81 81 SER CB C 13 62.0910 0.2 . 1 . . . . . 81 SER CB . 27623 1 698 . 1 . 1 81 81 SER N N 15 112.9110 0.2 . 1 . . . . . 81 SER N . 27623 1 699 . 1 . 1 82 82 PHE H H 1 7.6260 0.02 . 1 . . . . . 82 PHE HN . 27623 1 700 . 1 . 1 82 82 PHE HA H 1 4.4230 0.02 . 1 . . . . . 82 PHE HA . 27623 1 701 . 1 . 1 82 82 PHE HB2 H 1 2.9210 0.02 . 2 . . . . . 82 PHE HB1 . 27623 1 702 . 1 . 1 82 82 PHE HB3 H 1 3.3390 0.02 . 2 . . . . . 82 PHE HB2 . 27623 1 703 . 1 . 1 82 82 PHE C C 13 175.8460 0.2 . 1 . . . . . 82 PHE C . 27623 1 704 . 1 . 1 82 82 PHE CA C 13 58.8650 0.2 . 1 . . . . . 82 PHE CA . 27623 1 705 . 1 . 1 82 82 PHE CB C 13 38.9450 0.2 . 1 . . . . . 82 PHE CB . 27623 1 706 . 1 . 1 82 82 PHE N N 15 117.9520 0.2 . 1 . . . . . 82 PHE N . 27623 1 707 . 1 . 1 83 83 LEU H H 1 7.3190 0.02 . 1 . . . . . 83 LEU HN . 27623 1 708 . 1 . 1 83 83 LEU HA H 1 4.0880 0.02 . 1 . . . . . 83 LEU HA . 27623 1 709 . 1 . 1 83 83 LEU HB2 H 1 1.4320 0.02 . 2 . . . . . 83 LEU HB1 . 27623 1 710 . 1 . 1 83 83 LEU HB3 H 1 1.4320 0.02 . 2 . . . . . 83 LEU HB2 . 27623 1 711 . 1 . 1 83 83 LEU C C 13 177.4450 0.2 . 1 . . . . . 83 LEU C . 27623 1 712 . 1 . 1 83 83 LEU CA C 13 55.6860 0.2 . 1 . . . . . 83 LEU CA . 27623 1 713 . 1 . 1 83 83 LEU CB C 13 41.1780 0.2 . 1 . . . . . 83 LEU CB . 27623 1 714 . 1 . 1 83 83 LEU CG C 13 27.6500 0.2 . 1 . . . . . 83 LEU CG . 27623 1 715 . 1 . 1 83 83 LEU CD1 C 13 24.5580 0.2 . 2 . . . . . 83 LEU CD1 . 27623 1 716 . 1 . 1 83 83 LEU CD2 C 13 24.5580 0.2 . 2 . . . . . 83 LEU CD2 . 27623 1 717 . 1 . 1 83 83 LEU N N 15 119.5080 0.2 . 1 . . . . . 83 LEU N . 27623 1 718 . 1 . 1 84 84 GLY H H 1 8.2000 0.02 . 1 . . . . . 84 GLY HN . 27623 1 719 . 1 . 1 84 84 GLY HA2 H 1 3.8470 0.02 . 2 . . . . . 84 GLY HA1 . 27623 1 720 . 1 . 1 84 84 GLY HA3 H 1 4.0180 0.02 . 2 . . . . . 84 GLY HA2 . 27623 1 721 . 1 . 1 84 84 GLY C C 13 174.5110 0.2 . 1 . . . . . 84 GLY C . 27623 1 722 . 1 . 1 84 84 GLY CA C 13 45.2340 0.2 . 1 . . . . . 84 GLY CA . 27623 1 723 . 1 . 1 84 84 GLY N N 15 108.9180 0.2 . 1 . . . . . 84 GLY N . 27623 1 724 . 1 . 1 85 85 SER H H 1 8.4400 0.02 . 1 . . . . . 85 SER HN . 27623 1 725 . 1 . 1 85 85 SER HA H 1 4.3620 0.02 . 1 . . . . . 85 SER HA . 27623 1 726 . 1 . 1 85 85 SER HB2 H 1 3.8550 0.02 . 2 . . . . . 85 SER HB1 . 27623 1 727 . 1 . 1 85 85 SER HB3 H 1 3.8550 0.02 . 2 . . . . . 85 SER HB2 . 27623 1 728 . 1 . 1 85 85 SER C C 13 175.1370 0.2 . 1 . . . . . 85 SER C . 27623 1 729 . 1 . 1 85 85 SER CA C 13 58.7290 0.2 . 1 . . . . . 85 SER CA . 27623 1 730 . 1 . 1 85 85 SER CB C 13 63.2080 0.2 . 1 . . . . . 85 SER CB . 27623 1 731 . 1 . 1 85 85 SER N N 15 116.2120 0.2 . 1 . . . . . 85 SER N . 27623 1 732 . 1 . 1 86 86 GLY H H 1 8.3640 0.02 . 1 . . . . . 86 GLY HN . 27623 1 733 . 1 . 1 86 86 GLY HA2 H 1 3.7210 0.02 . 2 . . . . . 86 GLY HA1 . 27623 1 734 . 1 . 1 86 86 GLY HA3 H 1 3.9690 0.02 . 2 . . . . . 86 GLY HA2 . 27623 1 735 . 1 . 1 86 86 GLY C C 13 173.7690 0.2 . 1 . . . . . 86 GLY C . 27623 1 736 . 1 . 1 86 86 GLY CA C 13 45.0980 0.2 . 1 . . . . . 86 GLY CA . 27623 1 737 . 1 . 1 86 86 GLY N N 15 110.5030 0.2 . 1 . . . . . 86 GLY N . 27623 1 738 . 1 . 1 87 87 TRP H H 1 8.2120 0.02 . 1 . . . . . 87 TRP HN . 27623 1 739 . 1 . 1 87 87 TRP HA H 1 4.6650 0.02 . 1 . . . . . 87 TRP HA . 27623 1 740 . 1 . 1 87 87 TRP HB2 H 1 3.2600 0.02 . 2 . . . . . 87 TRP HB1 . 27623 1 741 . 1 . 1 87 87 TRP HB3 H 1 3.2600 0.02 . 2 . . . . . 87 TRP HB2 . 27623 1 742 . 1 . 1 87 87 TRP C C 13 176.6860 0.2 . 1 . . . . . 87 TRP C . 27623 1 743 . 1 . 1 87 87 TRP CA C 13 57.5120 0.2 . 1 . . . . . 87 TRP CA . 27623 1 744 . 1 . 1 87 87 TRP CB C 13 28.9960 0.2 . 1 . . . . . 87 TRP CB . 27623 1 745 . 1 . 1 87 87 TRP N N 15 120.6150 0.2 . 1 . . . . . 87 TRP N . 27623 1 746 . 1 . 1 88 88 LYS H H 1 8.2190 0.02 . 1 . . . . . 88 LYS HN . 27623 1 747 . 1 . 1 88 88 LYS HA H 1 4.1760 0.02 . 1 . . . . . 88 LYS HA . 27623 1 748 . 1 . 1 88 88 LYS HB2 H 1 1.5500 0.02 . 2 . . . . . 88 LYS HB1 . 27623 1 749 . 1 . 1 88 88 LYS HB3 H 1 1.7390 0.02 . 2 . . . . . 88 LYS HB2 . 27623 1 750 . 1 . 1 88 88 LYS C C 13 176.6040 0.2 . 1 . . . . . 88 LYS C . 27623 1 751 . 1 . 1 88 88 LYS CA C 13 56.4290 0.2 . 1 . . . . . 88 LYS CA . 27623 1 752 . 1 . 1 88 88 LYS CB C 13 32.4480 0.2 . 1 . . . . . 88 LYS CB . 27623 1 753 . 1 . 1 88 88 LYS CG C 13 23.9730 0.2 . 1 . . . . . 88 LYS CG . 27623 1 754 . 1 . 1 88 88 LYS CD C 13 28.5060 0.2 . 1 . . . . . 88 LYS CD . 27623 1 755 . 1 . 1 88 88 LYS CE C 13 41.1390 0.2 . 1 . . . . . 88 LYS CE . 27623 1 756 . 1 . 1 88 88 LYS N N 15 123.5410 0.2 . 1 . . . . . 88 LYS N . 27623 1 757 . 1 . 1 89 89 GLY H H 1 7.8470 0.02 . 1 . . . . . 89 GLY HN . 27623 1 758 . 1 . 1 89 89 GLY HA2 H 1 3.7960 0.02 . 2 . . . . . 89 GLY HA1 . 27623 1 759 . 1 . 1 89 89 GLY HA3 H 1 3.7960 0.02 . 2 . . . . . 89 GLY HA2 . 27623 1 760 . 1 . 1 89 89 GLY C C 13 174.4120 0.2 . 1 . . . . . 89 GLY C . 27623 1 761 . 1 . 1 89 89 GLY CA C 13 45.2010 0.2 . 1 . . . . . 89 GLY CA . 27623 1 762 . 1 . 1 89 89 GLY N N 15 107.7530 0.2 . 1 . . . . . 89 GLY N . 27623 1 763 . 1 . 1 90 90 GLU H H 1 8.4190 0.02 . 1 . . . . . 90 GLU HN . 27623 1 764 . 1 . 1 90 90 GLU HA H 1 4.1850 0.02 . 1 . . . . . 90 GLU HA . 27623 1 765 . 1 . 1 90 90 GLU HB2 H 1 2.0520 0.02 . 2 . . . . . 90 GLU HB1 . 27623 1 766 . 1 . 1 90 90 GLU HB3 H 1 2.0520 0.02 . 2 . . . . . 90 GLU HB2 . 27623 1 767 . 1 . 1 90 90 GLU C C 13 177.1310 0.2 . 1 . . . . . 90 GLU C . 27623 1 768 . 1 . 1 90 90 GLU CA C 13 57.4110 0.2 . 1 . . . . . 90 GLU CA . 27623 1 769 . 1 . 1 90 90 GLU CB C 13 29.4530 0.2 . 1 . . . . . 90 GLU CB . 27623 1 770 . 1 . 1 90 90 GLU CG C 13 36.1820 0.2 . 1 . . . . . 90 GLU CG . 27623 1 771 . 1 . 1 90 90 GLU N N 15 119.8000 0.2 . 1 . . . . . 90 GLU N . 27623 1 772 . 1 . 1 91 91 THR H H 1 8.0660 0.02 . 1 . . . . . 91 THR HN . 27623 1 773 . 1 . 1 91 91 THR HA H 1 4.3090 0.02 . 1 . . . . . 91 THR HA . 27623 1 774 . 1 . 1 91 91 THR HB H 1 4.2110 0.02 . 1 . . . . . 91 THR HB . 27623 1 775 . 1 . 1 91 91 THR HG21 H 1 1.2290 0.02 . 1 . . . . . 91 THR HG21 . 27623 1 776 . 1 . 1 91 91 THR HG22 H 1 1.2290 0.02 . 1 . . . . . 91 THR HG21 . 27623 1 777 . 1 . 1 91 91 THR HG23 H 1 1.2290 0.02 . 1 . . . . . 91 THR HG21 . 27623 1 778 . 1 . 1 91 91 THR C C 13 174.6760 0.2 . 1 . . . . . 91 THR C . 27623 1 779 . 1 . 1 91 91 THR CA C 13 62.4160 0.2 . 1 . . . . . 91 THR CA . 27623 1 780 . 1 . 1 91 91 THR CB C 13 69.5020 0.2 . 1 . . . . . 91 THR CB . 27623 1 781 . 1 . 1 91 91 THR CG2 C 13 21.7710 0.2 . 1 . . . . . 91 THR CG2 . 27623 1 782 . 1 . 1 91 91 THR N N 15 111.5700 0.2 . 1 . . . . . 91 THR N . 27623 1 783 . 1 . 1 92 92 GLN H H 1 8.4120 0.02 . 1 . . . . . 92 GLN HN . 27623 1 784 . 1 . 1 92 92 GLN HA H 1 4.3890 0.02 . 1 . . . . . 92 GLN HA . 27623 1 785 . 1 . 1 92 92 GLN HB2 H 1 1.9940 0.02 . 2 . . . . . 92 GLN HB1 . 27623 1 786 . 1 . 1 92 92 GLN HB3 H 1 2.1300 0.02 . 2 . . . . . 92 GLN HB2 . 27623 1 787 . 1 . 1 92 92 GLN HG2 H 1 2.3310 0.02 . 2 . . . . . 92 GLN HG1 . 27623 1 788 . 1 . 1 92 92 GLN HG3 H 1 2.3310 0.02 . 2 . . . . . 92 GLN HG2 . 27623 1 789 . 1 . 1 92 92 GLN C C 13 175.3680 0.2 . 1 . . . . . 92 GLN C . 27623 1 790 . 1 . 1 92 92 GLN CA C 13 55.4260 0.2 . 1 . . . . . 92 GLN CA . 27623 1 791 . 1 . 1 92 92 GLN CB C 13 28.5390 0.2 . 1 . . . . . 92 GLN CB . 27623 1 792 . 1 . 1 92 92 GLN CG C 13 33.9810 0.2 . 1 . . . . . 92 GLN CG . 27623 1 793 . 1 . 1 92 92 GLN N N 15 121.4260 0.2 . 1 . . . . . 92 GLN N . 27623 1 794 . 1 . 1 93 93 LEU H H 1 7.9840 0.02 . 1 . . . . . 93 LEU HN . 27623 1 795 . 1 . 1 93 93 LEU HA H 1 4.5300 0.02 . 1 . . . . . 93 LEU HA . 27623 1 796 . 1 . 1 93 93 LEU HB2 H 1 1.5220 0.02 . 2 . . . . . 93 LEU HB1 . 27623 1 797 . 1 . 1 93 93 LEU HB3 H 1 1.5220 0.02 . 2 . . . . . 93 LEU HB2 . 27623 1 798 . 1 . 1 93 93 LEU C C 13 177.8560 0.2 . 1 . . . . . 93 LEU C . 27623 1 799 . 1 . 1 93 93 LEU CA C 13 54.7050 0.2 . 1 . . . . . 93 LEU CA . 27623 1 800 . 1 . 1 93 93 LEU CB C 13 42.9040 0.2 . 1 . . . . . 93 LEU CB . 27623 1 801 . 1 . 1 93 93 LEU N N 15 123.4510 0.2 . 1 . . . . . 93 LEU N . 27623 1 802 . 1 . 1 94 94 THR H H 1 9.0940 0.02 . 1 . . . . . 94 THR HN . 27623 1 803 . 1 . 1 94 94 THR HA H 1 4.5470 0.02 . 1 . . . . . 94 THR HA . 27623 1 804 . 1 . 1 94 94 THR HB H 1 4.7730 0.02 . 1 . . . . . 94 THR HB . 27623 1 805 . 1 . 1 94 94 THR HG21 H 1 1.4080 0.02 . 1 . . . . . 94 THR HG2 . 27623 1 806 . 1 . 1 94 94 THR HG22 H 1 1.4080 0.02 . 1 . . . . . 94 THR HG2 . 27623 1 807 . 1 . 1 94 94 THR HG23 H 1 1.4080 0.02 . 1 . . . . . 94 THR HG2 . 27623 1 808 . 1 . 1 94 94 THR C C 13 173.2920 0.2 . 1 . . . . . 94 THR C . 27623 1 809 . 1 . 1 94 94 THR CA C 13 60.5820 0.2 . 1 . . . . . 94 THR CA . 27623 1 810 . 1 . 1 94 94 THR CB C 13 68.1310 0.2 . 1 . . . . . 94 THR CB . 27623 1 811 . 1 . 1 94 94 THR N N 15 115.0070 0.2 . 1 . . . . . 94 THR N . 27623 1 812 . 1 . 1 95 95 PRO HA H 1 4.2270 0.02 . 1 . . . . . 95 PRO HA . 27623 1 813 . 1 . 1 95 95 PRO HB2 H 1 1.6510 0.02 . 2 . . . . . 95 PRO HB1 . 27623 1 814 . 1 . 1 95 95 PRO HB3 H 1 2.4710 0.02 . 2 . . . . . 95 PRO HB2 . 27623 1 815 . 1 . 1 95 95 PRO C C 13 178.3670 0.2 . 1 . . . . . 95 PRO C . 27623 1 816 . 1 . 1 95 95 PRO CA C 13 66.4930 0.2 . 1 . . . . . 95 PRO CA . 27623 1 817 . 1 . 1 95 95 PRO CB C 13 32.8540 0.2 . 1 . . . . . 95 PRO CB . 27623 1 818 . 1 . 1 95 95 PRO CG C 13 28.5320 0.2 . 1 . . . . . 95 PRO CG . 27623 1 819 . 1 . 1 95 95 PRO CD C 13 49.8340 0.2 . 1 . . . . . 95 PRO CD . 27623 1 820 . 1 . 1 96 96 GLU H H 1 9.0010 0.02 . 1 . . . . . 96 GLU HN . 27623 1 821 . 1 . 1 96 96 GLU HA H 1 3.6570 0.02 . 1 . . . . . 96 GLU HA . 27623 1 822 . 1 . 1 96 96 GLU HB2 H 1 1.6680 0.02 . 2 . . . . . 96 GLU HB1 . 27623 1 823 . 1 . 1 96 96 GLU HB3 H 1 2.0310 0.02 . 2 . . . . . 96 GLU HB2 . 27623 1 824 . 1 . 1 96 96 GLU HG2 H 1 2.3760 0.02 . 2 . . . . . 96 GLU HG1 . 27623 1 825 . 1 . 1 96 96 GLU HG3 H 1 2.3760 0.02 . 2 . . . . . 96 GLU HG2 . 27623 1 826 . 1 . 1 96 96 GLU C C 13 179.0750 0.2 . 1 . . . . . 96 GLU C . 27623 1 827 . 1 . 1 96 96 GLU CA C 13 61.5780 0.2 . 1 . . . . . 96 GLU CA . 27623 1 828 . 1 . 1 96 96 GLU CB C 13 27.3210 0.2 . 1 . . . . . 96 GLU CB . 27623 1 829 . 1 . 1 96 96 GLU CG C 13 39.0730 0.2 . 1 . . . . . 96 GLU CG . 27623 1 830 . 1 . 1 96 96 GLU N N 15 113.6340 0.2 . 1 . . . . . 96 GLU N . 27623 1 831 . 1 . 1 97 97 GLU H H 1 7.7510 0.02 . 1 . . . . . 97 GLU HN . 27623 1 832 . 1 . 1 97 97 GLU HA H 1 3.8220 0.02 . 1 . . . . . 97 GLU HA . 27623 1 833 . 1 . 1 97 97 GLU HB2 H 1 1.9450 0.02 . 2 . . . . . 97 GLU HB1 . 27623 1 834 . 1 . 1 97 97 GLU HB3 H 1 2.3850 0.02 . 2 . . . . . 97 GLU HB2 . 27623 1 835 . 1 . 1 97 97 GLU C C 13 179.1410 0.2 . 1 . . . . . 97 GLU C . 27623 1 836 . 1 . 1 97 97 GLU CA C 13 59.4820 0.2 . 1 . . . . . 97 GLU CA . 27623 1 837 . 1 . 1 97 97 GLU CB C 13 30.1640 0.2 . 1 . . . . . 97 GLU CB . 27623 1 838 . 1 . 1 97 97 GLU CG C 13 37.8290 0.2 . 1 . . . . . 97 GLU CG . 27623 1 839 . 1 . 1 97 97 GLU N N 15 119.0090 0.2 . 1 . . . . . 97 GLU N . 27623 1 840 . 1 . 1 98 98 LYS H H 1 8.4090 0.02 . 1 . . . . . 98 LYS HN . 27623 1 841 . 1 . 1 98 98 LYS HA H 1 3.7920 0.02 . 1 . . . . . 98 LYS HA . 27623 1 842 . 1 . 1 98 98 LYS HB2 H 1 2.0050 0.02 . 2 . . . . . 98 LYS HB1 . 27623 1 843 . 1 . 1 98 98 LYS HB3 H 1 2.3110 0.02 . 2 . . . . . 98 LYS HB2 . 27623 1 844 . 1 . 1 98 98 LYS C C 13 179.6850 0.2 . 1 . . . . . 98 LYS C . 27623 1 845 . 1 . 1 98 98 LYS CA C 13 60.3410 0.2 . 1 . . . . . 98 LYS CA . 27623 1 846 . 1 . 1 98 98 LYS CB C 13 31.6350 0.2 . 1 . . . . . 98 LYS CB . 27623 1 847 . 1 . 1 98 98 LYS N N 15 120.1530 0.2 . 1 . . . . . 98 LYS N . 27623 1 848 . 1 . 1 99 99 LEU H H 1 7.7010 0.02 . 1 . . . . . 99 LEU HN . 27623 1 849 . 1 . 1 99 99 LEU HA H 1 3.0710 0.02 . 1 . . . . . 99 LEU HA . 27623 1 850 . 1 . 1 99 99 LEU HB2 H 1 1.8970 0.02 . 2 . . . . . 99 LEU HB1 . 27623 1 851 . 1 . 1 99 99 LEU HB3 H 1 1.8970 0.02 . 2 . . . . . 99 LEU HB2 . 27623 1 852 . 1 . 1 99 99 LEU C C 13 177.4610 0.2 . 1 . . . . . 99 LEU C . 27623 1 853 . 1 . 1 99 99 LEU CA C 13 57.4880 0.2 . 1 . . . . . 99 LEU CA . 27623 1 854 . 1 . 1 99 99 LEU CB C 13 39.1480 0.2 . 1 . . . . . 99 LEU CB . 27623 1 855 . 1 . 1 99 99 LEU CG C 13 25.7500 0.2 . 1 . . . . . 99 LEU CG . 27623 1 856 . 1 . 1 99 99 LEU N N 15 121.9760 0.2 . 1 . . . . . 99 LEU N . 27623 1 857 . 1 . 1 100 100 LEU H H 1 8.0140 0.02 . 1 . . . . . 100 LEU HN . 27623 1 858 . 1 . 1 100 100 LEU HA H 1 3.8780 0.02 . 1 . . . . . 100 LEU HA . 27623 1 859 . 1 . 1 100 100 LEU HB2 H 1 1.8240 0.02 . 2 . . . . . 100 LEU HB1 . 27623 1 860 . 1 . 1 100 100 LEU HB3 H 1 2.0010 0.02 . 2 . . . . . 100 LEU HB2 . 27623 1 861 . 1 . 1 100 100 LEU C C 13 178.8770 0.2 . 1 . . . . . 100 LEU C . 27623 1 862 . 1 . 1 100 100 LEU CA C 13 58.7600 0.2 . 1 . . . . . 100 LEU CA . 27623 1 863 . 1 . 1 100 100 LEU CB C 13 41.3810 0.2 . 1 . . . . . 100 LEU CB . 27623 1 864 . 1 . 1 100 100 LEU CG C 13 25.9740 0.2 . 1 . . . . . 100 LEU CG . 27623 1 865 . 1 . 1 100 100 LEU N N 15 119.1630 0.2 . 1 . . . . . 100 LEU N . 27623 1 866 . 1 . 1 101 101 ARG H H 1 7.8860 0.02 . 1 . . . . . 101 ARG HN . 27623 1 867 . 1 . 1 101 101 ARG HA H 1 3.8910 0.02 . 1 . . . . . 101 ARG HA . 27623 1 868 . 1 . 1 101 101 ARG HB2 H 1 1.4960 0.02 . 2 . . . . . 101 ARG HB1 . 27623 1 869 . 1 . 1 101 101 ARG HB3 H 1 1.8110 0.02 . 2 . . . . . 101 ARG HB2 . 27623 1 870 . 1 . 1 101 101 ARG C C 13 178.7130 0.2 . 1 . . . . . 101 ARG C . 27623 1 871 . 1 . 1 101 101 ARG CA C 13 58.6570 0.2 . 1 . . . . . 101 ARG CA . 27623 1 872 . 1 . 1 101 101 ARG CB C 13 28.9950 0.2 . 1 . . . . . 101 ARG CB . 27623 1 873 . 1 . 1 101 101 ARG CG C 13 26.3750 0.2 . 1 . . . . . 101 ARG CG . 27623 1 874 . 1 . 1 101 101 ARG CD C 13 43.5380 0.2 . 1 . . . . . 101 ARG CD . 27623 1 875 . 1 . 1 101 101 ARG N N 15 116.7800 0.2 . 1 . . . . . 101 ARG N . 27623 1 876 . 1 . 1 102 102 ALA H H 1 7.6070 0.02 . 1 . . . . . 102 ALA HN . 27623 1 877 . 1 . 1 102 102 ALA HA H 1 4.1410 0.02 . 1 . . . . . 102 ALA HA . 27623 1 878 . 1 . 1 102 102 ALA HB1 H 1 1.4910 0.02 . 1 . . . . . 102 ALA HB1 . 27623 1 879 . 1 . 1 102 102 ALA HB2 H 1 1.4910 0.02 . 1 . . . . . 102 ALA HB1 . 27623 1 880 . 1 . 1 102 102 ALA HB3 H 1 1.4910 0.02 . 1 . . . . . 102 ALA HB1 . 27623 1 881 . 1 . 1 102 102 ALA C C 13 180.0640 0.2 . 1 . . . . . 102 ALA C . 27623 1 882 . 1 . 1 102 102 ALA CA C 13 54.4640 0.2 . 1 . . . . . 102 ALA CA . 27623 1 883 . 1 . 1 102 102 ALA CB C 13 18.8950 0.2 . 1 . . . . . 102 ALA CB . 27623 1 884 . 1 . 1 102 102 ALA N N 15 122.3410 0.2 . 1 . . . . . 102 ALA N . 27623 1 885 . 1 . 1 103 103 ILE H H 1 8.2840 0.02 . 1 . . . . . 103 ILE HN . 27623 1 886 . 1 . 1 103 103 ILE HA H 1 3.2450 0.02 . 1 . . . . . 103 ILE HA . 27623 1 887 . 1 . 1 103 103 ILE HB H 1 1.4800 0.02 . 1 . . . . . 103 ILE HB . 27623 1 888 . 1 . 1 103 103 ILE HG12 H 1 0.4300 0.02 . 2 . . . . . 103 ILE HG11 . 27623 1 889 . 1 . 1 103 103 ILE HG13 H 1 1.6800 0.02 . 2 . . . . . 103 ILE HG12 . 27623 1 890 . 1 . 1 103 103 ILE HG21 H 1 -0.2300 0.02 . 1 . . . . . 103 ILE HG21 . 27623 1 891 . 1 . 1 103 103 ILE HG22 H 1 -0.2300 0.02 . 1 . . . . . 103 ILE HG21 . 27623 1 892 . 1 . 1 103 103 ILE HG23 H 1 -0.2300 0.02 . 1 . . . . . 103 ILE HG21 . 27623 1 893 . 1 . 1 103 103 ILE HD11 H 1 0.5610 0.02 . 1 . . . . . 103 ILE HD11 . 27623 1 894 . 1 . 1 103 103 ILE HD12 H 1 0.5610 0.02 . 1 . . . . . 103 ILE HD11 . 27623 1 895 . 1 . 1 103 103 ILE HD13 H 1 0.5610 0.02 . 1 . . . . . 103 ILE HD11 . 27623 1 896 . 1 . 1 103 103 ILE C C 13 177.8730 0.2 . 1 . . . . . 103 ILE C . 27623 1 897 . 1 . 1 103 103 ILE CA C 13 65.8060 0.2 . 1 . . . . . 103 ILE CA . 27623 1 898 . 1 . 1 103 103 ILE CB C 13 38.6400 0.2 . 1 . . . . . 103 ILE CB . 27623 1 899 . 1 . 1 103 103 ILE CG1 C 13 28.5100 0.2 . 1 . . . . . 103 ILE CG1 . 27623 1 900 . 1 . 1 103 103 ILE CG2 C 13 16.1480 0.2 . 1 . . . . . 103 ILE CG2 . 27623 1 901 . 1 . 1 103 103 ILE CD1 C 13 15.6090 0.2 . 1 . . . . . 103 ILE CD1 . 27623 1 902 . 1 . 1 103 103 ILE N N 15 117.9040 0.2 . 1 . . . . . 103 ILE N . 27623 1 903 . 1 . 1 104 104 PHE H H 1 8.1870 0.02 . 1 . . . . . 104 PHE HN . 27623 1 904 . 1 . 1 104 104 PHE HA H 1 4.5470 0.02 . 1 . . . . . 104 PHE HA . 27623 1 905 . 1 . 1 104 104 PHE HB2 H 1 2.7900 0.02 . 2 . . . . . 104 PHE HB1 . 27623 1 906 . 1 . 1 104 104 PHE HB3 H 1 3.3820 0.02 . 2 . . . . . 104 PHE HB2 . 27623 1 907 . 1 . 1 104 104 PHE C C 13 176.5380 0.2 . 1 . . . . . 104 PHE C . 27623 1 908 . 1 . 1 104 104 PHE CA C 13 60.0660 0.2 . 1 . . . . . 104 PHE CA . 27623 1 909 . 1 . 1 104 104 PHE CB C 13 39.4020 0.2 . 1 . . . . . 104 PHE CB . 27623 1 910 . 1 . 1 104 104 PHE N N 15 114.1280 0.2 . 1 . . . . . 104 PHE N . 27623 1 911 . 1 . 1 105 105 GLY H H 1 8.0610 0.02 . 1 . . . . . 105 GLY HN . 27623 1 912 . 1 . 1 105 105 GLY HA2 H 1 4.0910 0.02 . 2 . . . . . 105 GLY HA1 . 27623 1 913 . 1 . 1 105 105 GLY HA3 H 1 4.0910 0.02 . 2 . . . . . 105 GLY HA2 . 27623 1 914 . 1 . 1 105 105 GLY C C 13 173.7530 0.2 . 1 . . . . . 105 GLY C . 27623 1 915 . 1 . 1 105 105 GLY CA C 13 45.5280 0.2 . 1 . . . . . 105 GLY CA . 27623 1 916 . 1 . 1 105 105 GLY N N 15 109.1260 0.2 . 1 . . . . . 105 GLY N . 27623 1 917 . 1 . 1 106 106 GLU H H 1 8.3000 0.02 . 1 . . . . . 106 GLU HN . 27623 1 918 . 1 . 1 106 106 GLU HA H 1 4.3520 0.02 . 1 . . . . . 106 GLU HA . 27623 1 919 . 1 . 1 106 106 GLU HB2 H 1 1.9400 0.02 . 2 . . . . . 106 GLU HB1 . 27623 1 920 . 1 . 1 106 106 GLU HB3 H 1 2.2850 0.02 . 2 . . . . . 106 GLU HB2 . 27623 1 921 . 1 . 1 106 106 GLU C C 13 176.2080 0.2 . 1 . . . . . 106 GLU C . 27623 1 922 . 1 . 1 106 106 GLU CA C 13 56.3540 0.2 . 1 . . . . . 106 GLU CA . 27623 1 923 . 1 . 1 106 106 GLU CB C 13 30.2140 0.2 . 1 . . . . . 106 GLU CB . 27623 1 924 . 1 . 1 106 106 GLU CG C 13 36.4380 0.2 . 1 . . . . . 106 GLU CG . 27623 1 925 . 1 . 1 106 106 GLU N N 15 119.2940 0.2 . 1 . . . . . 106 GLU N . 27623 1 926 . 1 . 1 107 107 LYS H H 1 8.4240 0.02 . 1 . . . . . 107 LYS HN . 27623 1 927 . 1 . 1 107 107 LYS HA H 1 4.3350 0.02 . 1 . . . . . 107 LYS HA . 27623 1 928 . 1 . 1 107 107 LYS HB2 H 1 1.7500 0.02 . 2 . . . . . 107 LYS HB1 . 27623 1 929 . 1 . 1 107 107 LYS HB3 H 1 1.8840 0.02 . 2 . . . . . 107 LYS HB2 . 27623 1 930 . 1 . 1 107 107 LYS C C 13 175.3350 0.2 . 1 . . . . . 107 LYS C . 27623 1 931 . 1 . 1 107 107 LYS CA C 13 56.0110 0.2 . 1 . . . . . 107 LYS CA . 27623 1 932 . 1 . 1 107 107 LYS CB C 13 32.2950 0.2 . 1 . . . . . 107 LYS CB . 27623 1 933 . 1 . 1 107 107 LYS CG C 13 24.5790 0.2 . 1 . . . . . 107 LYS CG . 27623 1 934 . 1 . 1 107 107 LYS CD C 13 28.4590 0.2 . 1 . . . . . 107 LYS CD . 27623 1 935 . 1 . 1 107 107 LYS CE C 13 38.9270 0.2 . 1 . . . . . 107 LYS CE . 27623 1 936 . 1 . 1 107 107 LYS N N 15 121.6530 0.2 . 1 . . . . . 107 LYS N . 27623 1 937 . 1 . 1 108 108 ALA H H 1 8.0700 0.02 . 1 . . . . . 108 ALA HN . 27623 1 938 . 1 . 1 108 108 ALA HA H 1 4.0920 0.02 . 1 . . . . . 108 ALA HA . 27623 1 939 . 1 . 1 108 108 ALA HB1 H 1 1.3130 0.02 . 1 . . . . . 108 ALA HB1 . 27623 1 940 . 1 . 1 108 108 ALA HB2 H 1 1.3130 0.02 . 1 . . . . . 108 ALA HB1 . 27623 1 941 . 1 . 1 108 108 ALA HB3 H 1 1.3130 0.02 . 1 . . . . . 108 ALA HB1 . 27623 1 942 . 1 . 1 108 108 ALA C C 13 182.5030 0.2 . 1 . . . . . 108 ALA C . 27623 1 943 . 1 . 1 108 108 ALA CA C 13 53.8450 0.2 . 1 . . . . . 108 ALA CA . 27623 1 944 . 1 . 1 108 108 ALA CB C 13 19.4030 0.2 . 1 . . . . . 108 ALA CB . 27623 1 945 . 1 . 1 108 108 ALA N N 15 130.8260 0.2 . 1 . . . . . 108 ALA N . 27623 1 stop_ save_