data_25925 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 25925 _Entry.Title ; Chemical shift assignments of rv3053c from Mycobacterium tuberculosis in the oxidized state ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2015-12-18 _Entry.Accession_date 2015-12-18 _Entry.Last_release_date 2016-01-12 _Entry.Original_release_date 2016-01-12 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _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 Yingang Feng . . . . 25925 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 25925 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 360 25925 '15N chemical shifts' 88 25925 '1H chemical shifts' 571 25925 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 . . 2016-07-22 2015-12-01 update BMRB 'update entry citation' 25925 1 . . 2016-01-12 2015-12-01 original author 'original release' 25925 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 25925 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 26786191 _Citation.Full_citation . _Citation.Title ; Low stability of the reduced state of Mycobacterium tuberculosis NrdH redoxin ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'FEBS Lett.' _Citation.Journal_name_full . _Citation.Journal_volume 590 _Citation.Journal_issue 3 _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 387 _Citation.Page_last 395 _Citation.Year 2016 _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 Ya-Jun Liu . . . . 25925 1 2 Xiaxia Song . . . . 25925 1 3 Yifei Li . . . . 25925 1 4 Jinsong Xuan . . . . 25925 1 5 Qiu Cui . . . . 25925 1 6 Jinfeng Wang . . . . 25925 1 7 Yingang Feng . . . . 25925 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 25925 _Assembly.ID 1 _Assembly.Name 'rv3053c from Mycobacterium tuberculosis in the oxidized state' _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 rv3053c 1 $rv3053c A . yes native no no . . . 25925 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 11 11 SG . 1 . 1 CYS 14 14 SG . . . . . . . . . . 25925 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_rv3053c _Entity.Sf_category entity _Entity.Sf_framecode rv3053c _Entity.Entry_ID 25925 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name rv3053c _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 ; MTVTVYTKPACVQCSATSKA LDKQGIAYQKVDISLDSEAR DYVMALGYLQAPVVVAGNDH WSGFRPDRIKALAGAALTAL EHHHHHH ; _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 87 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all disulfide bound' _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 . MET . 25925 1 2 . THR . 25925 1 3 . VAL . 25925 1 4 . THR . 25925 1 5 . VAL . 25925 1 6 . TYR . 25925 1 7 . THR . 25925 1 8 . LYS . 25925 1 9 . PRO . 25925 1 10 . ALA . 25925 1 11 . CYS . 25925 1 12 . VAL . 25925 1 13 . GLN . 25925 1 14 . CYS . 25925 1 15 . SER . 25925 1 16 . ALA . 25925 1 17 . THR . 25925 1 18 . SER . 25925 1 19 . LYS . 25925 1 20 . ALA . 25925 1 21 . LEU . 25925 1 22 . ASP . 25925 1 23 . LYS . 25925 1 24 . GLN . 25925 1 25 . GLY . 25925 1 26 . ILE . 25925 1 27 . ALA . 25925 1 28 . TYR . 25925 1 29 . GLN . 25925 1 30 . LYS . 25925 1 31 . VAL . 25925 1 32 . ASP . 25925 1 33 . ILE . 25925 1 34 . SER . 25925 1 35 . LEU . 25925 1 36 . ASP . 25925 1 37 . SER . 25925 1 38 . GLU . 25925 1 39 . ALA . 25925 1 40 . ARG . 25925 1 41 . ASP . 25925 1 42 . TYR . 25925 1 43 . VAL . 25925 1 44 . MET . 25925 1 45 . ALA . 25925 1 46 . LEU . 25925 1 47 . GLY . 25925 1 48 . TYR . 25925 1 49 . LEU . 25925 1 50 . GLN . 25925 1 51 . ALA . 25925 1 52 . PRO . 25925 1 53 . VAL . 25925 1 54 . VAL . 25925 1 55 . VAL . 25925 1 56 . ALA . 25925 1 57 . GLY . 25925 1 58 . ASN . 25925 1 59 . ASP . 25925 1 60 . HIS . 25925 1 61 . TRP . 25925 1 62 . SER . 25925 1 63 . GLY . 25925 1 64 . PHE . 25925 1 65 . ARG . 25925 1 66 . PRO . 25925 1 67 . ASP . 25925 1 68 . ARG . 25925 1 69 . ILE . 25925 1 70 . LYS . 25925 1 71 . ALA . 25925 1 72 . LEU . 25925 1 73 . ALA . 25925 1 74 . GLY . 25925 1 75 . ALA . 25925 1 76 . ALA . 25925 1 77 . LEU . 25925 1 78 . THR . 25925 1 79 . ALA . 25925 1 80 . LEU . 25925 1 81 . GLU . 25925 1 82 . HIS . 25925 1 83 . HIS . 25925 1 84 . HIS . 25925 1 85 . HIS . 25925 1 86 . HIS . 25925 1 87 . HIS . 25925 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 25925 1 . THR 2 2 25925 1 . VAL 3 3 25925 1 . THR 4 4 25925 1 . VAL 5 5 25925 1 . TYR 6 6 25925 1 . THR 7 7 25925 1 . LYS 8 8 25925 1 . PRO 9 9 25925 1 . ALA 10 10 25925 1 . CYS 11 11 25925 1 . VAL 12 12 25925 1 . GLN 13 13 25925 1 . CYS 14 14 25925 1 . SER 15 15 25925 1 . ALA 16 16 25925 1 . THR 17 17 25925 1 . SER 18 18 25925 1 . LYS 19 19 25925 1 . ALA 20 20 25925 1 . LEU 21 21 25925 1 . ASP 22 22 25925 1 . LYS 23 23 25925 1 . GLN 24 24 25925 1 . GLY 25 25 25925 1 . ILE 26 26 25925 1 . ALA 27 27 25925 1 . TYR 28 28 25925 1 . GLN 29 29 25925 1 . LYS 30 30 25925 1 . VAL 31 31 25925 1 . ASP 32 32 25925 1 . ILE 33 33 25925 1 . SER 34 34 25925 1 . LEU 35 35 25925 1 . ASP 36 36 25925 1 . SER 37 37 25925 1 . GLU 38 38 25925 1 . ALA 39 39 25925 1 . ARG 40 40 25925 1 . ASP 41 41 25925 1 . TYR 42 42 25925 1 . VAL 43 43 25925 1 . MET 44 44 25925 1 . ALA 45 45 25925 1 . LEU 46 46 25925 1 . GLY 47 47 25925 1 . TYR 48 48 25925 1 . LEU 49 49 25925 1 . GLN 50 50 25925 1 . ALA 51 51 25925 1 . PRO 52 52 25925 1 . VAL 53 53 25925 1 . VAL 54 54 25925 1 . VAL 55 55 25925 1 . ALA 56 56 25925 1 . GLY 57 57 25925 1 . ASN 58 58 25925 1 . ASP 59 59 25925 1 . HIS 60 60 25925 1 . TRP 61 61 25925 1 . SER 62 62 25925 1 . GLY 63 63 25925 1 . PHE 64 64 25925 1 . ARG 65 65 25925 1 . PRO 66 66 25925 1 . ASP 67 67 25925 1 . ARG 68 68 25925 1 . ILE 69 69 25925 1 . LYS 70 70 25925 1 . ALA 71 71 25925 1 . LEU 72 72 25925 1 . ALA 73 73 25925 1 . GLY 74 74 25925 1 . ALA 75 75 25925 1 . ALA 76 76 25925 1 . LEU 77 77 25925 1 . THR 78 78 25925 1 . ALA 79 79 25925 1 . LEU 80 80 25925 1 . GLU 81 81 25925 1 . HIS 82 82 25925 1 . HIS 83 83 25925 1 . HIS 84 84 25925 1 . HIS 85 85 25925 1 . HIS 86 86 25925 1 . HIS 87 87 25925 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 25925 _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 $rv3053c . 1773 organism . 'Mycobacterium tuberculosis' 'Mycobacterium tuberculosis' . . Bacteria . Mycobacterium tuberculosis H37Rv . . . . . . . . . . rv3053c . 25925 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 25925 _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 $rv3053c . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Rosetta(DE3)pLysS . . . . . pET30a . . . 25925 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 25925 _Sample.ID 1 _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 rv3053c '[U-13C; U-15N]' . . 1 $rv3053c . . 1.0 . . mM . . . . 25925 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 25925 1 3 'potassium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 25925 1 4 DSS 'natural abundance' . . . . . . 0.02 . . '% w/v' . . . . 25925 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 25925 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 150 . mM 25925 1 pH 6 . pH 25925 1 pressure 1 . atm 25925 1 temperature 298 . K 25925 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 25925 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 25925 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 25925 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 25925 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 25925 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 25925 2 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 25925 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 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 25925 _NMR_spectrometer_list.ID 1 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 . 600 . . . 25925 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 25925 _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 . . . . . . . . . . . . . . . . 25925 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25925 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25925 1 4 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25925 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25925 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25925 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25925 1 8 '3D HBHANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25925 1 9 '3D CCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25925 1 10 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25925 1 11 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25925 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 25925 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 25925 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 25925 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 25925 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 25925 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 25925 _Assigned_chem_shift_list.ID 1 _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' . . . 25925 1 2 '2D 1H-13C HSQC' . . . 25925 1 3 '3D HNCO' . . . 25925 1 4 '3D HN(CA)CO' . . . 25925 1 5 '3D HNCACB' . . . 25925 1 6 '3D CBCA(CO)NH' . . . 25925 1 7 '3D HBHA(CO)NH' . . . 25925 1 8 '3D HBHANH' . . . 25925 1 9 '3D CCH-TOCSY' . . . 25925 1 10 '3D 1H-15N NOESY' . . . 25925 1 11 '3D 1H-13C NOESY aliphatic' . . . 25925 1 12 '3D 1H-13C NOESY aromatic' . . . 25925 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_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.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 THR HA H 1 3.8900 0.02 . 1 . . . . 2 THR HA . 25925 1 2 . 1 1 2 2 THR HB H 1 4.0640 0.02 . 1 . . . . 2 THR HB . 25925 1 3 . 1 1 2 2 THR HG21 H 1 1.2170 0.02 . 1 . . . . 2 THR HG21 . 25925 1 4 . 1 1 2 2 THR HG22 H 1 1.2170 0.02 . 1 . . . . 2 THR HG21 . 25925 1 5 . 1 1 2 2 THR HG23 H 1 1.2170 0.02 . 1 . . . . 2 THR HG21 . 25925 1 6 . 1 1 2 2 THR C C 13 170.6670 0.3 . 1 . . . . 2 THR C . 25925 1 7 . 1 1 2 2 THR CA C 13 61.7400 0.3 . 1 . . . . 2 THR CA . 25925 1 8 . 1 1 2 2 THR CB C 13 69.5900 0.3 . 1 . . . . 2 THR CB . 25925 1 9 . 1 1 2 2 THR CG2 C 13 21.7060 0.3 . 1 . . . . 2 THR CG2 . 25925 1 10 . 1 1 3 3 VAL H H 1 8.7030 0.02 . 1 . . . . 3 VAL H . 25925 1 11 . 1 1 3 3 VAL HA H 1 4.7770 0.02 . 1 . . . . 3 VAL HA . 25925 1 12 . 1 1 3 3 VAL HB H 1 2.3370 0.02 . 1 . . . . 3 VAL HB . 25925 1 13 . 1 1 3 3 VAL HG11 H 1 0.7040 0.02 . 2 . . . . 3 VAL HG11 . 25925 1 14 . 1 1 3 3 VAL HG12 H 1 0.7040 0.02 . 2 . . . . 3 VAL HG11 . 25925 1 15 . 1 1 3 3 VAL HG13 H 1 0.7040 0.02 . 2 . . . . 3 VAL HG11 . 25925 1 16 . 1 1 3 3 VAL HG21 H 1 1.0220 0.02 . 2 . . . . 3 VAL HG21 . 25925 1 17 . 1 1 3 3 VAL HG22 H 1 1.0220 0.02 . 2 . . . . 3 VAL HG21 . 25925 1 18 . 1 1 3 3 VAL HG23 H 1 1.0220 0.02 . 2 . . . . 3 VAL HG21 . 25925 1 19 . 1 1 3 3 VAL C C 13 174.6400 0.3 . 1 . . . . 3 VAL C . 25925 1 20 . 1 1 3 3 VAL CA C 13 62.2780 0.3 . 1 . . . . 3 VAL CA . 25925 1 21 . 1 1 3 3 VAL CB C 13 33.0460 0.3 . 1 . . . . 3 VAL CB . 25925 1 22 . 1 1 3 3 VAL CG1 C 13 21.5800 0.3 . 2 . . . . 3 VAL CG1 . 25925 1 23 . 1 1 3 3 VAL CG2 C 13 21.5800 0.3 . 2 . . . . 3 VAL CG2 . 25925 1 24 . 1 1 3 3 VAL N N 15 126.6360 0.2 . 1 . . . . 3 VAL N . 25925 1 25 . 1 1 4 4 THR H H 1 8.9550 0.02 . 1 . . . . 4 THR H . 25925 1 26 . 1 1 4 4 THR HA H 1 4.9530 0.02 . 1 . . . . 4 THR HA . 25925 1 27 . 1 1 4 4 THR HB H 1 3.6850 0.02 . 1 . . . . 4 THR HB . 25925 1 28 . 1 1 4 4 THR HG21 H 1 0.4110 0.02 . 1 . . . . 4 THR HG21 . 25925 1 29 . 1 1 4 4 THR HG22 H 1 0.4110 0.02 . 1 . . . . 4 THR HG21 . 25925 1 30 . 1 1 4 4 THR HG23 H 1 0.4110 0.02 . 1 . . . . 4 THR HG21 . 25925 1 31 . 1 1 4 4 THR C C 13 172.0200 0.3 . 1 . . . . 4 THR C . 25925 1 32 . 1 1 4 4 THR CA C 13 61.7150 0.3 . 1 . . . . 4 THR CA . 25925 1 33 . 1 1 4 4 THR CB C 13 70.4750 0.3 . 1 . . . . 4 THR CB . 25925 1 34 . 1 1 4 4 THR CG2 C 13 21.3400 0.3 . 1 . . . . 4 THR CG2 . 25925 1 35 . 1 1 4 4 THR N N 15 124.2850 0.2 . 1 . . . . 4 THR N . 25925 1 36 . 1 1 5 5 VAL H H 1 8.9330 0.02 . 1 . . . . 5 VAL H . 25925 1 37 . 1 1 5 5 VAL HA H 1 4.4650 0.02 . 1 . . . . 5 VAL HA . 25925 1 38 . 1 1 5 5 VAL HB H 1 1.8290 0.02 . 1 . . . . 5 VAL HB . 25925 1 39 . 1 1 5 5 VAL HG11 H 1 0.4770 0.02 . 2 . . . . 5 VAL HG11 . 25925 1 40 . 1 1 5 5 VAL HG12 H 1 0.4770 0.02 . 2 . . . . 5 VAL HG11 . 25925 1 41 . 1 1 5 5 VAL HG13 H 1 0.4770 0.02 . 2 . . . . 5 VAL HG11 . 25925 1 42 . 1 1 5 5 VAL HG21 H 1 0.6350 0.02 . 2 . . . . 5 VAL HG21 . 25925 1 43 . 1 1 5 5 VAL HG22 H 1 0.6350 0.02 . 2 . . . . 5 VAL HG21 . 25925 1 44 . 1 1 5 5 VAL HG23 H 1 0.6350 0.02 . 2 . . . . 5 VAL HG21 . 25925 1 45 . 1 1 5 5 VAL C C 13 173.5400 0.3 . 1 . . . . 5 VAL C . 25925 1 46 . 1 1 5 5 VAL CA C 13 60.8330 0.3 . 1 . . . . 5 VAL CA . 25925 1 47 . 1 1 5 5 VAL CB C 13 33.2130 0.3 . 1 . . . . 5 VAL CB . 25925 1 48 . 1 1 5 5 VAL CG1 C 13 22.1000 0.3 . 2 . . . . 5 VAL CG1 . 25925 1 49 . 1 1 5 5 VAL CG2 C 13 20.6400 0.3 . 2 . . . . 5 VAL CG2 . 25925 1 50 . 1 1 5 5 VAL N N 15 125.7600 0.2 . 1 . . . . 5 VAL N . 25925 1 51 . 1 1 6 6 TYR H H 1 9.7180 0.02 . 1 . . . . 6 TYR H . 25925 1 52 . 1 1 6 6 TYR HA H 1 5.2960 0.02 . 1 . . . . 6 TYR HA . 25925 1 53 . 1 1 6 6 TYR HB2 H 1 2.8040 0.02 . 2 . . . . 6 TYR HB2 . 25925 1 54 . 1 1 6 6 TYR HB3 H 1 3.0320 0.02 . 2 . . . . 6 TYR HB3 . 25925 1 55 . 1 1 6 6 TYR HD1 H 1 6.8640 0.02 . 3 . . . . 6 TYR HD1 . 25925 1 56 . 1 1 6 6 TYR HD2 H 1 6.8640 0.02 . 3 . . . . 6 TYR HD2 . 25925 1 57 . 1 1 6 6 TYR HE1 H 1 6.6280 0.02 . 3 . . . . 6 TYR HE1 . 25925 1 58 . 1 1 6 6 TYR HE2 H 1 6.6280 0.02 . 3 . . . . 6 TYR HE2 . 25925 1 59 . 1 1 6 6 TYR C C 13 176.1100 0.3 . 1 . . . . 6 TYR C . 25925 1 60 . 1 1 6 6 TYR CA C 13 57.5840 0.3 . 1 . . . . 6 TYR CA . 25925 1 61 . 1 1 6 6 TYR CB C 13 37.5510 0.3 . 1 . . . . 6 TYR CB . 25925 1 62 . 1 1 6 6 TYR CD1 C 13 133.2600 0.3 . 3 . . . . 6 TYR CD1 . 25925 1 63 . 1 1 6 6 TYR CD2 C 13 133.2600 0.3 . 3 . . . . 6 TYR CD2 . 25925 1 64 . 1 1 6 6 TYR CE1 C 13 117.8000 0.3 . 3 . . . . 6 TYR CE1 . 25925 1 65 . 1 1 6 6 TYR CE2 C 13 117.8000 0.3 . 3 . . . . 6 TYR CE2 . 25925 1 66 . 1 1 6 6 TYR N N 15 128.8140 0.2 . 1 . . . . 6 TYR N . 25925 1 67 . 1 1 7 7 THR H H 1 9.2240 0.02 . 1 . . . . 7 THR H . 25925 1 68 . 1 1 7 7 THR HA H 1 4.7250 0.02 . 1 . . . . 7 THR HA . 25925 1 69 . 1 1 7 7 THR HB H 1 3.9520 0.02 . 1 . . . . 7 THR HB . 25925 1 70 . 1 1 7 7 THR HG21 H 1 0.9860 0.02 . 1 . . . . 7 THR HG21 . 25925 1 71 . 1 1 7 7 THR HG22 H 1 0.9860 0.02 . 1 . . . . 7 THR HG21 . 25925 1 72 . 1 1 7 7 THR HG23 H 1 0.9860 0.02 . 1 . . . . 7 THR HG21 . 25925 1 73 . 1 1 7 7 THR C C 13 171.2000 0.3 . 1 . . . . 7 THR C . 25925 1 74 . 1 1 7 7 THR CA C 13 59.7330 0.3 . 1 . . . . 7 THR CA . 25925 1 75 . 1 1 7 7 THR CB C 13 71.5300 0.3 . 1 . . . . 7 THR CB . 25925 1 76 . 1 1 7 7 THR CG2 C 13 21.0600 0.3 . 1 . . . . 7 THR CG2 . 25925 1 77 . 1 1 7 7 THR N N 15 116.1760 0.2 . 1 . . . . 7 THR N . 25925 1 78 . 1 1 8 8 LYS H H 1 7.6050 0.02 . 1 . . . . 8 LYS H . 25925 1 79 . 1 1 8 8 LYS HA H 1 4.9450 0.02 . 1 . . . . 8 LYS HA . 25925 1 80 . 1 1 8 8 LYS HB2 H 1 1.8670 0.02 . 2 . . . . 8 LYS HB2 . 25925 1 81 . 1 1 8 8 LYS HB3 H 1 1.7920 0.02 . 2 . . . . 8 LYS HB3 . 25925 1 82 . 1 1 8 8 LYS HG2 H 1 1.4520 0.02 . 2 . . . . 8 LYS HG2 . 25925 1 83 . 1 1 8 8 LYS HG3 H 1 1.3050 0.02 . 2 . . . . 8 LYS HG3 . 25925 1 84 . 1 1 8 8 LYS HD2 H 1 1.6860 0.02 . 2 . . . . 8 LYS HD2 . 25925 1 85 . 1 1 8 8 LYS HD3 H 1 1.7450 0.02 . 2 . . . . 8 LYS HD3 . 25925 1 86 . 1 1 8 8 LYS HE2 H 1 2.9850 0.02 . 2 . . . . 8 LYS HE2 . 25925 1 87 . 1 1 8 8 LYS HE3 H 1 2.9850 0.02 . 2 . . . . 8 LYS HE3 . 25925 1 88 . 1 1 8 8 LYS C C 13 173.0500 0.3 . 1 . . . . 8 LYS C . 25925 1 89 . 1 1 8 8 LYS CA C 13 54.6010 0.3 . 1 . . . . 8 LYS CA . 25925 1 90 . 1 1 8 8 LYS CB C 13 33.9400 0.3 . 1 . . . . 8 LYS CB . 25925 1 91 . 1 1 8 8 LYS CG C 13 24.0400 0.3 . 1 . . . . 8 LYS CG . 25925 1 92 . 1 1 8 8 LYS CD C 13 29.5900 0.3 . 1 . . . . 8 LYS CD . 25925 1 93 . 1 1 8 8 LYS CE C 13 42.2000 0.3 . 1 . . . . 8 LYS CE . 25925 1 94 . 1 1 8 8 LYS N N 15 116.4940 0.2 . 1 . . . . 8 LYS N . 25925 1 95 . 1 1 9 9 PRO HA H 1 4.4180 0.02 . 1 . . . . 9 PRO HA . 25925 1 96 . 1 1 9 9 PRO HB2 H 1 2.3770 0.02 . 2 . . . . 9 PRO HB2 . 25925 1 97 . 1 1 9 9 PRO HB3 H 1 1.7900 0.02 . 2 . . . . 9 PRO HB3 . 25925 1 98 . 1 1 9 9 PRO HG2 H 1 2.0400 0.02 . 2 . . . . 9 PRO HG2 . 25925 1 99 . 1 1 9 9 PRO HG3 H 1 1.9840 0.02 . 2 . . . . 9 PRO HG3 . 25925 1 100 . 1 1 9 9 PRO HD2 H 1 4.1280 0.02 . 2 . . . . 9 PRO HD2 . 25925 1 101 . 1 1 9 9 PRO HD3 H 1 3.5690 0.02 . 2 . . . . 9 PRO HD3 . 25925 1 102 . 1 1 9 9 PRO C C 13 175.8400 0.3 . 1 . . . . 9 PRO C . 25925 1 103 . 1 1 9 9 PRO CA C 13 63.0330 0.3 . 1 . . . . 9 PRO CA . 25925 1 104 . 1 1 9 9 PRO CB C 13 32.3010 0.3 . 1 . . . . 9 PRO CB . 25925 1 105 . 1 1 9 9 PRO CG C 13 27.7500 0.3 . 1 . . . . 9 PRO CG . 25925 1 106 . 1 1 9 9 PRO CD C 13 50.8000 0.3 . 1 . . . . 9 PRO CD . 25925 1 107 . 1 1 10 10 ALA H H 1 8.7440 0.02 . 1 . . . . 10 ALA H . 25925 1 108 . 1 1 10 10 ALA HA H 1 3.9540 0.02 . 1 . . . . 10 ALA HA . 25925 1 109 . 1 1 10 10 ALA HB1 H 1 1.3370 0.02 . 1 . . . . 10 ALA HB1 . 25925 1 110 . 1 1 10 10 ALA HB2 H 1 1.3370 0.02 . 1 . . . . 10 ALA HB1 . 25925 1 111 . 1 1 10 10 ALA HB3 H 1 1.3370 0.02 . 1 . . . . 10 ALA HB1 . 25925 1 112 . 1 1 10 10 ALA C C 13 175.7000 0.3 . 1 . . . . 10 ALA C . 25925 1 113 . 1 1 10 10 ALA CA C 13 52.6030 0.3 . 1 . . . . 10 ALA CA . 25925 1 114 . 1 1 10 10 ALA CB C 13 16.4720 0.3 . 1 . . . . 10 ALA CB . 25925 1 115 . 1 1 10 10 ALA N N 15 122.1830 0.2 . 1 . . . . 10 ALA N . 25925 1 116 . 1 1 11 11 CYS H H 1 8.2280 0.02 . 1 . . . . 11 CYS H . 25925 1 117 . 1 1 11 11 CYS HA H 1 4.9410 0.02 . 1 . . . . 11 CYS HA . 25925 1 118 . 1 1 11 11 CYS HB2 H 1 3.2320 0.02 . 2 . . . . 11 CYS HB2 . 25925 1 119 . 1 1 11 11 CYS HB3 H 1 3.4530 0.02 . 2 . . . . 11 CYS HB3 . 25925 1 120 . 1 1 11 11 CYS C C 13 174.8300 0.3 . 1 . . . . 11 CYS C . 25925 1 121 . 1 1 11 11 CYS CA C 13 52.4730 0.3 . 1 . . . . 11 CYS CA . 25925 1 122 . 1 1 11 11 CYS CB C 13 43.4900 0.3 . 1 . . . . 11 CYS CB . 25925 1 123 . 1 1 11 11 CYS N N 15 118.9960 0.2 . 1 . . . . 11 CYS N . 25925 1 124 . 1 1 12 12 VAL H H 1 9.2170 0.02 . 1 . . . . 12 VAL H . 25925 1 125 . 1 1 12 12 VAL HA H 1 3.9800 0.02 . 1 . . . . 12 VAL HA . 25925 1 126 . 1 1 12 12 VAL HB H 1 2.1110 0.02 . 1 . . . . 12 VAL HB . 25925 1 127 . 1 1 12 12 VAL HG11 H 1 0.9890 0.02 . 2 . . . . 12 VAL HG11 . 25925 1 128 . 1 1 12 12 VAL HG12 H 1 0.9890 0.02 . 2 . . . . 12 VAL HG11 . 25925 1 129 . 1 1 12 12 VAL HG13 H 1 0.9890 0.02 . 2 . . . . 12 VAL HG11 . 25925 1 130 . 1 1 12 12 VAL HG21 H 1 1.0700 0.02 . 2 . . . . 12 VAL HG21 . 25925 1 131 . 1 1 12 12 VAL HG22 H 1 1.0700 0.02 . 2 . . . . 12 VAL HG21 . 25925 1 132 . 1 1 12 12 VAL HG23 H 1 1.0700 0.02 . 2 . . . . 12 VAL HG21 . 25925 1 133 . 1 1 12 12 VAL C C 13 179.4900 0.3 . 1 . . . . 12 VAL C . 25925 1 134 . 1 1 12 12 VAL CA C 13 66.4500 0.3 . 1 . . . . 12 VAL CA . 25925 1 135 . 1 1 12 12 VAL CB C 13 31.5080 0.3 . 1 . . . . 12 VAL CB . 25925 1 136 . 1 1 12 12 VAL CG1 C 13 21.1400 0.3 . 2 . . . . 12 VAL CG1 . 25925 1 137 . 1 1 12 12 VAL CG2 C 13 21.1400 0.3 . 2 . . . . 12 VAL CG2 . 25925 1 138 . 1 1 12 12 VAL N N 15 132.0100 0.2 . 1 . . . . 12 VAL N . 25925 1 139 . 1 1 13 13 GLN H H 1 9.5180 0.02 . 1 . . . . 13 GLN H . 25925 1 140 . 1 1 13 13 GLN HA H 1 4.1390 0.02 . 1 . . . . 13 GLN HA . 25925 1 141 . 1 1 13 13 GLN HB2 H 1 2.1110 0.02 . 2 . . . . 13 GLN HB2 . 25925 1 142 . 1 1 13 13 GLN HB3 H 1 2.1110 0.02 . 2 . . . . 13 GLN HB3 . 25925 1 143 . 1 1 13 13 GLN HG2 H 1 2.7670 0.02 . 2 . . . . 13 GLN HG2 . 25925 1 144 . 1 1 13 13 GLN HG3 H 1 2.5710 0.02 . 2 . . . . 13 GLN HG3 . 25925 1 145 . 1 1 13 13 GLN HE21 H 1 7.6540 0.02 . 2 . . . . 13 GLN HE21 . 25925 1 146 . 1 1 13 13 GLN HE22 H 1 7.0190 0.02 . 2 . . . . 13 GLN HE22 . 25925 1 147 . 1 1 13 13 GLN C C 13 179.6400 0.3 . 1 . . . . 13 GLN C . 25925 1 148 . 1 1 13 13 GLN CA C 13 59.3410 0.3 . 1 . . . . 13 GLN CA . 25925 1 149 . 1 1 13 13 GLN CB C 13 28.7440 0.3 . 1 . . . . 13 GLN CB . 25925 1 150 . 1 1 13 13 GLN CG C 13 35.0800 0.3 . 1 . . . . 13 GLN CG . 25925 1 151 . 1 1 13 13 GLN N N 15 118.5430 0.2 . 1 . . . . 13 GLN N . 25925 1 152 . 1 1 13 13 GLN NE2 N 15 112.2350 0.2 . 1 . . . . 13 GLN NE2 . 25925 1 153 . 1 1 14 14 CYS H H 1 8.7040 0.02 . 1 . . . . 14 CYS H . 25925 1 154 . 1 1 14 14 CYS HA H 1 4.1930 0.02 . 1 . . . . 14 CYS HA . 25925 1 155 . 1 1 14 14 CYS HB2 H 1 3.1900 0.02 . 2 . . . . 14 CYS HB2 . 25925 1 156 . 1 1 14 14 CYS HB3 H 1 4.2560 0.02 . 2 . . . . 14 CYS HB3 . 25925 1 157 . 1 1 14 14 CYS C C 13 175.1900 0.3 . 1 . . . . 14 CYS C . 25925 1 158 . 1 1 14 14 CYS CA C 13 64.2380 0.3 . 1 . . . . 14 CYS CA . 25925 1 159 . 1 1 14 14 CYS CB C 13 32.7710 0.3 . 1 . . . . 14 CYS CB . 25925 1 160 . 1 1 14 14 CYS N N 15 120.5330 0.2 . 1 . . . . 14 CYS N . 25925 1 161 . 1 1 15 15 SER H H 1 8.1010 0.02 . 1 . . . . 15 SER H . 25925 1 162 . 1 1 15 15 SER HA H 1 4.3410 0.02 . 1 . . . . 15 SER HA . 25925 1 163 . 1 1 15 15 SER HB2 H 1 3.9620 0.02 . 2 . . . . 15 SER HB2 . 25925 1 164 . 1 1 15 15 SER HB3 H 1 3.9620 0.02 . 2 . . . . 15 SER HB3 . 25925 1 165 . 1 1 15 15 SER C C 13 176.3300 0.3 . 1 . . . . 15 SER C . 25925 1 166 . 1 1 15 15 SER CA C 13 61.3170 0.3 . 1 . . . . 15 SER CA . 25925 1 167 . 1 1 15 15 SER CB C 13 62.3830 0.3 . 1 . . . . 15 SER CB . 25925 1 168 . 1 1 15 15 SER N N 15 118.4760 0.2 . 1 . . . . 15 SER N . 25925 1 169 . 1 1 16 16 ALA H H 1 8.1070 0.02 . 1 . . . . 16 ALA H . 25925 1 170 . 1 1 16 16 ALA HA H 1 3.7840 0.02 . 1 . . . . 16 ALA HA . 25925 1 171 . 1 1 16 16 ALA HB1 H 1 0.4340 0.02 . 1 . . . . 16 ALA HB1 . 25925 1 172 . 1 1 16 16 ALA HB2 H 1 0.4340 0.02 . 1 . . . . 16 ALA HB1 . 25925 1 173 . 1 1 16 16 ALA HB3 H 1 0.4340 0.02 . 1 . . . . 16 ALA HB1 . 25925 1 174 . 1 1 16 16 ALA C C 13 180.1800 0.3 . 1 . . . . 16 ALA C . 25925 1 175 . 1 1 16 16 ALA CA C 13 55.1240 0.3 . 1 . . . . 16 ALA CA . 25925 1 176 . 1 1 16 16 ALA CB C 13 16.6680 0.3 . 1 . . . . 16 ALA CB . 25925 1 177 . 1 1 16 16 ALA N N 15 122.7020 0.2 . 1 . . . . 16 ALA N . 25925 1 178 . 1 1 17 17 THR H H 1 7.2420 0.02 . 1 . . . . 17 THR H . 25925 1 179 . 1 1 17 17 THR HA H 1 3.9210 0.02 . 1 . . . . 17 THR HA . 25925 1 180 . 1 1 17 17 THR HB H 1 4.4540 0.02 . 1 . . . . 17 THR HB . 25925 1 181 . 1 1 17 17 THR HG21 H 1 1.1030 0.02 . 1 . . . . 17 THR HG21 . 25925 1 182 . 1 1 17 17 THR HG22 H 1 1.1030 0.02 . 1 . . . . 17 THR HG21 . 25925 1 183 . 1 1 17 17 THR HG23 H 1 1.1030 0.02 . 1 . . . . 17 THR HG21 . 25925 1 184 . 1 1 17 17 THR C C 13 174.4900 0.3 . 1 . . . . 17 THR C . 25925 1 185 . 1 1 17 17 THR CA C 13 67.8890 0.3 . 1 . . . . 17 THR CA . 25925 1 186 . 1 1 17 17 THR CB C 13 69.0160 0.3 . 1 . . . . 17 THR CB . 25925 1 187 . 1 1 17 17 THR CG2 C 13 21.1090 0.3 . 1 . . . . 17 THR CG2 . 25925 1 188 . 1 1 17 17 THR N N 15 114.3960 0.2 . 1 . . . . 17 THR N . 25925 1 189 . 1 1 18 18 SER H H 1 8.0630 0.02 . 1 . . . . 18 SER H . 25925 1 190 . 1 1 18 18 SER HA H 1 3.6520 0.02 . 1 . . . . 18 SER HA . 25925 1 191 . 1 1 18 18 SER HB2 H 1 3.7890 0.02 . 2 . . . . 18 SER HB2 . 25925 1 192 . 1 1 18 18 SER HB3 H 1 4.1890 0.02 . 2 . . . . 18 SER HB3 . 25925 1 193 . 1 1 18 18 SER C C 13 175.1500 0.3 . 1 . . . . 18 SER C . 25925 1 194 . 1 1 18 18 SER CA C 13 62.8230 0.3 . 1 . . . . 18 SER CA . 25925 1 195 . 1 1 18 18 SER CB C 13 62.0310 0.3 . 1 . . . . 18 SER CB . 25925 1 196 . 1 1 18 18 SER N N 15 117.7850 0.2 . 1 . . . . 18 SER N . 25925 1 197 . 1 1 19 19 LYS H H 1 8.1210 0.02 . 1 . . . . 19 LYS H . 25925 1 198 . 1 1 19 19 LYS HA H 1 4.1500 0.02 . 1 . . . . 19 LYS HA . 25925 1 199 . 1 1 19 19 LYS HB2 H 1 1.8020 0.02 . 2 . . . . 19 LYS HB2 . 25925 1 200 . 1 1 19 19 LYS HB3 H 1 1.8020 0.02 . 2 . . . . 19 LYS HB3 . 25925 1 201 . 1 1 19 19 LYS HG2 H 1 1.4700 0.02 . 2 . . . . 19 LYS HG2 . 25925 1 202 . 1 1 19 19 LYS HG3 H 1 1.5960 0.02 . 2 . . . . 19 LYS HG3 . 25925 1 203 . 1 1 19 19 LYS HD2 H 1 1.6200 0.02 . 2 . . . . 19 LYS HD2 . 25925 1 204 . 1 1 19 19 LYS HD3 H 1 1.6200 0.02 . 2 . . . . 19 LYS HD3 . 25925 1 205 . 1 1 19 19 LYS HE2 H 1 2.9230 0.02 . 2 . . . . 19 LYS HE2 . 25925 1 206 . 1 1 19 19 LYS HE3 H 1 2.9230 0.02 . 2 . . . . 19 LYS HE3 . 25925 1 207 . 1 1 19 19 LYS C C 13 179.2200 0.3 . 1 . . . . 19 LYS C . 25925 1 208 . 1 1 19 19 LYS CA C 13 59.5220 0.3 . 1 . . . . 19 LYS CA . 25925 1 209 . 1 1 19 19 LYS CB C 13 32.2990 0.3 . 1 . . . . 19 LYS CB . 25925 1 210 . 1 1 19 19 LYS CG C 13 25.4100 0.3 . 1 . . . . 19 LYS CG . 25925 1 211 . 1 1 19 19 LYS CD C 13 29.2400 0.3 . 1 . . . . 19 LYS CD . 25925 1 212 . 1 1 19 19 LYS CE C 13 42.2000 0.3 . 1 . . . . 19 LYS CE . 25925 1 213 . 1 1 19 19 LYS N N 15 120.5200 0.2 . 1 . . . . 19 LYS N . 25925 1 214 . 1 1 20 20 ALA H H 1 7.7520 0.02 . 1 . . . . 20 ALA H . 25925 1 215 . 1 1 20 20 ALA HA H 1 4.3080 0.02 . 1 . . . . 20 ALA HA . 25925 1 216 . 1 1 20 20 ALA HB1 H 1 1.7910 0.02 . 1 . . . . 20 ALA HB1 . 25925 1 217 . 1 1 20 20 ALA HB2 H 1 1.7910 0.02 . 1 . . . . 20 ALA HB1 . 25925 1 218 . 1 1 20 20 ALA HB3 H 1 1.7910 0.02 . 1 . . . . 20 ALA HB1 . 25925 1 219 . 1 1 20 20 ALA C C 13 180.7900 0.3 . 1 . . . . 20 ALA C . 25925 1 220 . 1 1 20 20 ALA CA C 13 55.1800 0.3 . 1 . . . . 20 ALA CA . 25925 1 221 . 1 1 20 20 ALA CB C 13 18.9930 0.3 . 1 . . . . 20 ALA CB . 25925 1 222 . 1 1 20 20 ALA N N 15 121.3270 0.2 . 1 . . . . 20 ALA N . 25925 1 223 . 1 1 21 21 LEU H H 1 8.1110 0.02 . 1 . . . . 21 LEU H . 25925 1 224 . 1 1 21 21 LEU HA H 1 3.8470 0.02 . 1 . . . . 21 LEU HA . 25925 1 225 . 1 1 21 21 LEU HB2 H 1 1.3580 0.02 . 2 . . . . 21 LEU HB2 . 25925 1 226 . 1 1 21 21 LEU HB3 H 1 1.7310 0.02 . 2 . . . . 21 LEU HB3 . 25925 1 227 . 1 1 21 21 LEU HG H 1 1.6480 0.02 . 1 . . . . 21 LEU HG . 25925 1 228 . 1 1 21 21 LEU HD11 H 1 0.0360 0.02 . 2 . . . . 21 LEU HD11 . 25925 1 229 . 1 1 21 21 LEU HD12 H 1 0.0360 0.02 . 2 . . . . 21 LEU HD11 . 25925 1 230 . 1 1 21 21 LEU HD13 H 1 0.0360 0.02 . 2 . . . . 21 LEU HD11 . 25925 1 231 . 1 1 21 21 LEU HD21 H 1 0.7210 0.02 . 2 . . . . 21 LEU HD21 . 25925 1 232 . 1 1 21 21 LEU HD22 H 1 0.7210 0.02 . 2 . . . . 21 LEU HD21 . 25925 1 233 . 1 1 21 21 LEU HD23 H 1 0.7210 0.02 . 2 . . . . 21 LEU HD21 . 25925 1 234 . 1 1 21 21 LEU C C 13 179.2800 0.3 . 1 . . . . 21 LEU C . 25925 1 235 . 1 1 21 21 LEU CA C 13 58.7040 0.3 . 1 . . . . 21 LEU CA . 25925 1 236 . 1 1 21 21 LEU CB C 13 42.0000 0.3 . 1 . . . . 21 LEU CB . 25925 1 237 . 1 1 21 21 LEU CG C 13 26.6480 0.3 . 1 . . . . 21 LEU CG . 25925 1 238 . 1 1 21 21 LEU CD1 C 13 26.6480 0.3 . 2 . . . . 21 LEU CD1 . 25925 1 239 . 1 1 21 21 LEU CD2 C 13 25.1510 0.3 . 2 . . . . 21 LEU CD2 . 25925 1 240 . 1 1 21 21 LEU N N 15 120.3790 0.2 . 1 . . . . 21 LEU N . 25925 1 241 . 1 1 22 22 ASP H H 1 8.6560 0.02 . 1 . . . . 22 ASP H . 25925 1 242 . 1 1 22 22 ASP HA H 1 4.5830 0.02 . 1 . . . . 22 ASP HA . 25925 1 243 . 1 1 22 22 ASP HB2 H 1 3.0300 0.02 . 2 . . . . 22 ASP HB2 . 25925 1 244 . 1 1 22 22 ASP HB3 H 1 2.7610 0.02 . 2 . . . . 22 ASP HB3 . 25925 1 245 . 1 1 22 22 ASP C C 13 180.6600 0.3 . 1 . . . . 22 ASP C . 25925 1 246 . 1 1 22 22 ASP CA C 13 57.5440 0.3 . 1 . . . . 22 ASP CA . 25925 1 247 . 1 1 22 22 ASP CB C 13 40.2050 0.3 . 1 . . . . 22 ASP CB . 25925 1 248 . 1 1 22 22 ASP N N 15 119.9310 0.2 . 1 . . . . 22 ASP N . 25925 1 249 . 1 1 23 23 LYS H H 1 8.2530 0.02 . 1 . . . . 23 LYS H . 25925 1 250 . 1 1 23 23 LYS HA H 1 4.1000 0.02 . 1 . . . . 23 LYS HA . 25925 1 251 . 1 1 23 23 LYS HB2 H 1 2.0160 0.02 . 2 . . . . 23 LYS HB2 . 25925 1 252 . 1 1 23 23 LYS HB3 H 1 2.0160 0.02 . 2 . . . . 23 LYS HB3 . 25925 1 253 . 1 1 23 23 LYS HG2 H 1 1.5740 0.02 . 2 . . . . 23 LYS HG2 . 25925 1 254 . 1 1 23 23 LYS HG3 H 1 1.5740 0.02 . 2 . . . . 23 LYS HG3 . 25925 1 255 . 1 1 23 23 LYS HD2 H 1 1.7460 0.02 . 2 . . . . 23 LYS HD2 . 25925 1 256 . 1 1 23 23 LYS HD3 H 1 1.7460 0.02 . 2 . . . . 23 LYS HD3 . 25925 1 257 . 1 1 23 23 LYS HE2 H 1 3.0050 0.02 . 2 . . . . 23 LYS HE2 . 25925 1 258 . 1 1 23 23 LYS HE3 H 1 3.0050 0.02 . 2 . . . . 23 LYS HE3 . 25925 1 259 . 1 1 23 23 LYS C C 13 178.3000 0.3 . 1 . . . . 23 LYS C . 25925 1 260 . 1 1 23 23 LYS CA C 13 58.8790 0.3 . 1 . . . . 23 LYS CA . 25925 1 261 . 1 1 23 23 LYS CB C 13 32.3680 0.3 . 1 . . . . 23 LYS CB . 25925 1 262 . 1 1 23 23 LYS CG C 13 24.9500 0.3 . 1 . . . . 23 LYS CG . 25925 1 263 . 1 1 23 23 LYS CD C 13 29.1100 0.3 . 1 . . . . 23 LYS CD . 25925 1 264 . 1 1 23 23 LYS CE C 13 42.2800 0.3 . 1 . . . . 23 LYS CE . 25925 1 265 . 1 1 23 23 LYS N N 15 120.8520 0.2 . 1 . . . . 23 LYS N . 25925 1 266 . 1 1 24 24 GLN H H 1 7.5340 0.02 . 1 . . . . 24 GLN H . 25925 1 267 . 1 1 24 24 GLN HA H 1 4.3400 0.02 . 1 . . . . 24 GLN HA . 25925 1 268 . 1 1 24 24 GLN HB2 H 1 2.3530 0.02 . 2 . . . . 24 GLN HB2 . 25925 1 269 . 1 1 24 24 GLN HB3 H 1 1.9830 0.02 . 2 . . . . 24 GLN HB3 . 25925 1 270 . 1 1 24 24 GLN HG2 H 1 2.5310 0.02 . 2 . . . . 24 GLN HG2 . 25925 1 271 . 1 1 24 24 GLN HG3 H 1 2.3790 0.02 . 2 . . . . 24 GLN HG3 . 25925 1 272 . 1 1 24 24 GLN HE21 H 1 7.4210 0.02 . 2 . . . . 24 GLN HE21 . 25925 1 273 . 1 1 24 24 GLN HE22 H 1 6.9190 0.02 . 2 . . . . 24 GLN HE22 . 25925 1 274 . 1 1 24 24 GLN C C 13 176.0000 0.3 . 1 . . . . 24 GLN C . 25925 1 275 . 1 1 24 24 GLN CA C 13 55.1940 0.3 . 1 . . . . 24 GLN CA . 25925 1 276 . 1 1 24 24 GLN CB C 13 29.7100 0.3 . 1 . . . . 24 GLN CB . 25925 1 277 . 1 1 24 24 GLN CG C 13 34.1400 0.3 . 1 . . . . 24 GLN CG . 25925 1 278 . 1 1 24 24 GLN N N 15 115.1170 0.2 . 1 . . . . 24 GLN N . 25925 1 279 . 1 1 24 24 GLN NE2 N 15 111.4310 0.2 . 1 . . . . 24 GLN NE2 . 25925 1 280 . 1 1 25 25 GLY H H 1 7.9490 0.02 . 1 . . . . 25 GLY H . 25925 1 281 . 1 1 25 25 GLY HA2 H 1 3.8980 0.02 . 2 . . . . 25 GLY HA2 . 25925 1 282 . 1 1 25 25 GLY HA3 H 1 4.0140 0.02 . 2 . . . . 25 GLY HA3 . 25925 1 283 . 1 1 25 25 GLY C C 13 174.6300 0.3 . 1 . . . . 25 GLY C . 25925 1 284 . 1 1 25 25 GLY CA C 13 46.3170 0.3 . 1 . . . . 25 GLY CA . 25925 1 285 . 1 1 25 25 GLY N N 15 108.4240 0.2 . 1 . . . . 25 GLY N . 25925 1 286 . 1 1 26 26 ILE H H 1 7.6820 0.02 . 1 . . . . 26 ILE H . 25925 1 287 . 1 1 26 26 ILE HA H 1 4.0840 0.02 . 1 . . . . 26 ILE HA . 25925 1 288 . 1 1 26 26 ILE HB H 1 1.7850 0.02 . 1 . . . . 26 ILE HB . 25925 1 289 . 1 1 26 26 ILE HG12 H 1 1.4350 0.02 . 2 . . . . 26 ILE HG12 . 25925 1 290 . 1 1 26 26 ILE HG13 H 1 1.1770 0.02 . 2 . . . . 26 ILE HG13 . 25925 1 291 . 1 1 26 26 ILE HG21 H 1 0.9510 0.02 . 1 . . . . 26 ILE HG21 . 25925 1 292 . 1 1 26 26 ILE HG22 H 1 0.9510 0.02 . 1 . . . . 26 ILE HG21 . 25925 1 293 . 1 1 26 26 ILE HG23 H 1 0.9510 0.02 . 1 . . . . 26 ILE HG21 . 25925 1 294 . 1 1 26 26 ILE HD11 H 1 0.8170 0.02 . 1 . . . . 26 ILE HD11 . 25925 1 295 . 1 1 26 26 ILE HD12 H 1 0.8170 0.02 . 1 . . . . 26 ILE HD11 . 25925 1 296 . 1 1 26 26 ILE HD13 H 1 0.8170 0.02 . 1 . . . . 26 ILE HD11 . 25925 1 297 . 1 1 26 26 ILE C C 13 175.3900 0.3 . 1 . . . . 26 ILE C . 25925 1 298 . 1 1 26 26 ILE CA C 13 59.8080 0.3 . 1 . . . . 26 ILE CA . 25925 1 299 . 1 1 26 26 ILE CB C 13 38.8790 0.3 . 1 . . . . 26 ILE CB . 25925 1 300 . 1 1 26 26 ILE CG1 C 13 27.5100 0.3 . 1 . . . . 26 ILE CG1 . 25925 1 301 . 1 1 26 26 ILE CG2 C 13 17.5340 0.3 . 1 . . . . 26 ILE CG2 . 25925 1 302 . 1 1 26 26 ILE CD1 C 13 13.2000 0.3 . 1 . . . . 26 ILE CD1 . 25925 1 303 . 1 1 26 26 ILE N N 15 120.9480 0.2 . 1 . . . . 26 ILE N . 25925 1 304 . 1 1 27 27 ALA H H 1 8.4710 0.02 . 1 . . . . 27 ALA H . 25925 1 305 . 1 1 27 27 ALA HA H 1 4.4290 0.02 . 1 . . . . 27 ALA HA . 25925 1 306 . 1 1 27 27 ALA HB1 H 1 1.3700 0.02 . 1 . . . . 27 ALA HB1 . 25925 1 307 . 1 1 27 27 ALA HB2 H 1 1.3700 0.02 . 1 . . . . 27 ALA HB1 . 25925 1 308 . 1 1 27 27 ALA HB3 H 1 1.3700 0.02 . 1 . . . . 27 ALA HB1 . 25925 1 309 . 1 1 27 27 ALA C C 13 177.2360 0.3 . 1 . . . . 27 ALA C . 25925 1 310 . 1 1 27 27 ALA CA C 13 51.9910 0.3 . 1 . . . . 27 ALA CA . 25925 1 311 . 1 1 27 27 ALA CB C 13 18.9930 0.3 . 1 . . . . 27 ALA CB . 25925 1 312 . 1 1 27 27 ALA N N 15 131.2600 0.2 . 1 . . . . 27 ALA N . 25925 1 313 . 1 1 28 28 TYR H H 1 7.9100 0.02 . 1 . . . . 28 TYR H . 25925 1 314 . 1 1 28 28 TYR HA H 1 5.3550 0.02 . 1 . . . . 28 TYR HA . 25925 1 315 . 1 1 28 28 TYR HB2 H 1 2.5980 0.02 . 2 . . . . 28 TYR HB2 . 25925 1 316 . 1 1 28 28 TYR HB3 H 1 2.6900 0.02 . 2 . . . . 28 TYR HB3 . 25925 1 317 . 1 1 28 28 TYR HD1 H 1 6.9070 0.02 . 3 . . . . 28 TYR HD1 . 25925 1 318 . 1 1 28 28 TYR HD2 H 1 6.9070 0.02 . 3 . . . . 28 TYR HD2 . 25925 1 319 . 1 1 28 28 TYR HE1 H 1 6.7150 0.02 . 3 . . . . 28 TYR HE1 . 25925 1 320 . 1 1 28 28 TYR HE2 H 1 6.7150 0.02 . 3 . . . . 28 TYR HE2 . 25925 1 321 . 1 1 28 28 TYR C C 13 173.6900 0.3 . 1 . . . . 28 TYR C . 25925 1 322 . 1 1 28 28 TYR CA C 13 55.6910 0.3 . 1 . . . . 28 TYR CA . 25925 1 323 . 1 1 28 28 TYR CB C 13 41.2620 0.3 . 1 . . . . 28 TYR CB . 25925 1 324 . 1 1 28 28 TYR CD1 C 13 134.2700 0.3 . 3 . . . . 28 TYR CD1 . 25925 1 325 . 1 1 28 28 TYR CD2 C 13 134.2700 0.3 . 3 . . . . 28 TYR CD2 . 25925 1 326 . 1 1 28 28 TYR CE1 C 13 117.5400 0.3 . 3 . . . . 28 TYR CE1 . 25925 1 327 . 1 1 28 28 TYR CE2 C 13 117.5400 0.3 . 3 . . . . 28 TYR CE2 . 25925 1 328 . 1 1 28 28 TYR N N 15 117.4990 0.2 . 1 . . . . 28 TYR N . 25925 1 329 . 1 1 29 29 GLN H H 1 8.5760 0.02 . 1 . . . . 29 GLN H . 25925 1 330 . 1 1 29 29 GLN HA H 1 4.5700 0.02 . 1 . . . . 29 GLN HA . 25925 1 331 . 1 1 29 29 GLN HB2 H 1 1.9490 0.02 . 2 . . . . 29 GLN HB2 . 25925 1 332 . 1 1 29 29 GLN HB3 H 1 1.9490 0.02 . 2 . . . . 29 GLN HB3 . 25925 1 333 . 1 1 29 29 GLN HG2 H 1 2.2540 0.02 . 2 . . . . 29 GLN HG2 . 25925 1 334 . 1 1 29 29 GLN HG3 H 1 2.2540 0.02 . 2 . . . . 29 GLN HG3 . 25925 1 335 . 1 1 29 29 GLN HE21 H 1 7.3900 0.02 . 2 . . . . 29 GLN HE21 . 25925 1 336 . 1 1 29 29 GLN HE22 H 1 6.7880 0.02 . 2 . . . . 29 GLN HE22 . 25925 1 337 . 1 1 29 29 GLN C C 13 174.4400 0.3 . 1 . . . . 29 GLN C . 25925 1 338 . 1 1 29 29 GLN CA C 13 53.7430 0.3 . 1 . . . . 29 GLN CA . 25925 1 339 . 1 1 29 29 GLN CB C 13 31.2140 0.3 . 1 . . . . 29 GLN CB . 25925 1 340 . 1 1 29 29 GLN CG C 13 33.6000 0.3 . 1 . . . . 29 GLN CG . 25925 1 341 . 1 1 29 29 GLN N N 15 118.9380 0.2 . 1 . . . . 29 GLN N . 25925 1 342 . 1 1 29 29 GLN NE2 N 15 111.9210 0.2 . 1 . . . . 29 GLN NE2 . 25925 1 343 . 1 1 30 30 LYS H H 1 8.7580 0.02 . 1 . . . . 30 LYS H . 25925 1 344 . 1 1 30 30 LYS HA H 1 5.3400 0.02 . 1 . . . . 30 LYS HA . 25925 1 345 . 1 1 30 30 LYS HB2 H 1 1.6970 0.02 . 2 . . . . 30 LYS HB2 . 25925 1 346 . 1 1 30 30 LYS HB3 H 1 1.6970 0.02 . 2 . . . . 30 LYS HB3 . 25925 1 347 . 1 1 30 30 LYS HG2 H 1 1.4980 0.02 . 2 . . . . 30 LYS HG2 . 25925 1 348 . 1 1 30 30 LYS HG3 H 1 1.2990 0.02 . 2 . . . . 30 LYS HG3 . 25925 1 349 . 1 1 30 30 LYS HD2 H 1 1.7580 0.02 . 2 . . . . 30 LYS HD2 . 25925 1 350 . 1 1 30 30 LYS HD3 H 1 1.7580 0.02 . 2 . . . . 30 LYS HD3 . 25925 1 351 . 1 1 30 30 LYS HE2 H 1 3.0230 0.02 . 2 . . . . 30 LYS HE2 . 25925 1 352 . 1 1 30 30 LYS HE3 H 1 3.0230 0.02 . 2 . . . . 30 LYS HE3 . 25925 1 353 . 1 1 30 30 LYS C C 13 176.0400 0.3 . 1 . . . . 30 LYS C . 25925 1 354 . 1 1 30 30 LYS CA C 13 55.3800 0.3 . 1 . . . . 30 LYS CA . 25925 1 355 . 1 1 30 30 LYS CB C 13 34.8730 0.3 . 1 . . . . 30 LYS CB . 25925 1 356 . 1 1 30 30 LYS CG C 13 25.3500 0.3 . 1 . . . . 30 LYS CG . 25925 1 357 . 1 1 30 30 LYS CD C 13 29.6800 0.3 . 1 . . . . 30 LYS CD . 25925 1 358 . 1 1 30 30 LYS CE C 13 41.8000 0.3 . 1 . . . . 30 LYS CE . 25925 1 359 . 1 1 30 30 LYS N N 15 123.9020 0.2 . 1 . . . . 30 LYS N . 25925 1 360 . 1 1 31 31 VAL H H 1 8.7870 0.02 . 1 . . . . 31 VAL H . 25925 1 361 . 1 1 31 31 VAL HA H 1 4.0950 0.02 . 1 . . . . 31 VAL HA . 25925 1 362 . 1 1 31 31 VAL HB H 1 1.5470 0.02 . 1 . . . . 31 VAL HB . 25925 1 363 . 1 1 31 31 VAL HG11 H 1 0.8680 0.02 . 2 . . . . 31 VAL HG11 . 25925 1 364 . 1 1 31 31 VAL HG12 H 1 0.8680 0.02 . 2 . . . . 31 VAL HG11 . 25925 1 365 . 1 1 31 31 VAL HG13 H 1 0.8680 0.02 . 2 . . . . 31 VAL HG11 . 25925 1 366 . 1 1 31 31 VAL HG21 H 1 0.5590 0.02 . 2 . . . . 31 VAL HG21 . 25925 1 367 . 1 1 31 31 VAL HG22 H 1 0.5590 0.02 . 2 . . . . 31 VAL HG21 . 25925 1 368 . 1 1 31 31 VAL HG23 H 1 0.5590 0.02 . 2 . . . . 31 VAL HG21 . 25925 1 369 . 1 1 31 31 VAL C C 13 173.8200 0.3 . 1 . . . . 31 VAL C . 25925 1 370 . 1 1 31 31 VAL CA C 13 61.5610 0.3 . 1 . . . . 31 VAL CA . 25925 1 371 . 1 1 31 31 VAL CB C 13 34.8780 0.3 . 1 . . . . 31 VAL CB . 25925 1 372 . 1 1 31 31 VAL CG1 C 13 21.2500 0.3 . 2 . . . . 31 VAL CG1 . 25925 1 373 . 1 1 31 31 VAL CG2 C 13 20.7100 0.3 . 2 . . . . 31 VAL CG2 . 25925 1 374 . 1 1 31 31 VAL N N 15 125.9550 0.2 . 1 . . . . 31 VAL N . 25925 1 375 . 1 1 32 32 ASP H H 1 8.7430 0.02 . 1 . . . . 32 ASP H . 25925 1 376 . 1 1 32 32 ASP HA H 1 4.9640 0.02 . 1 . . . . 32 ASP HA . 25925 1 377 . 1 1 32 32 ASP HB2 H 1 3.0050 0.02 . 2 . . . . 32 ASP HB2 . 25925 1 378 . 1 1 32 32 ASP HB3 H 1 2.3100 0.02 . 2 . . . . 32 ASP HB3 . 25925 1 379 . 1 1 32 32 ASP C C 13 178.3800 0.3 . 1 . . . . 32 ASP C . 25925 1 380 . 1 1 32 32 ASP CA C 13 52.4550 0.3 . 1 . . . . 32 ASP CA . 25925 1 381 . 1 1 32 32 ASP CB C 13 41.1880 0.3 . 1 . . . . 32 ASP CB . 25925 1 382 . 1 1 32 32 ASP N N 15 127.8020 0.2 . 1 . . . . 32 ASP N . 25925 1 383 . 1 1 33 33 ILE H H 1 9.2430 0.02 . 1 . . . . 33 ILE H . 25925 1 384 . 1 1 33 33 ILE HA H 1 4.4290 0.02 . 1 . . . . 33 ILE HA . 25925 1 385 . 1 1 33 33 ILE HB H 1 2.0670 0.02 . 1 . . . . 33 ILE HB . 25925 1 386 . 1 1 33 33 ILE HG12 H 1 1.3800 0.02 . 2 . . . . 33 ILE HG12 . 25925 1 387 . 1 1 33 33 ILE HG13 H 1 1.3800 0.02 . 2 . . . . 33 ILE HG13 . 25925 1 388 . 1 1 33 33 ILE HG21 H 1 1.1990 0.02 . 1 . . . . 33 ILE HG21 . 25925 1 389 . 1 1 33 33 ILE HG22 H 1 1.1990 0.02 . 1 . . . . 33 ILE HG21 . 25925 1 390 . 1 1 33 33 ILE HG23 H 1 1.1990 0.02 . 1 . . . . 33 ILE HG21 . 25925 1 391 . 1 1 33 33 ILE HD11 H 1 0.7940 0.02 . 1 . . . . 33 ILE HD11 . 25925 1 392 . 1 1 33 33 ILE HD12 H 1 0.7940 0.02 . 1 . . . . 33 ILE HD11 . 25925 1 393 . 1 1 33 33 ILE HD13 H 1 0.7940 0.02 . 1 . . . . 33 ILE HD11 . 25925 1 394 . 1 1 33 33 ILE C C 13 176.4500 0.3 . 1 . . . . 33 ILE C . 25925 1 395 . 1 1 33 33 ILE CA C 13 63.5460 0.3 . 1 . . . . 33 ILE CA . 25925 1 396 . 1 1 33 33 ILE CB C 13 37.9140 0.3 . 1 . . . . 33 ILE CB . 25925 1 397 . 1 1 33 33 ILE CG1 C 13 25.1900 0.3 . 1 . . . . 33 ILE CG1 . 25925 1 398 . 1 1 33 33 ILE CG2 C 13 20.1000 0.3 . 1 . . . . 33 ILE CG2 . 25925 1 399 . 1 1 33 33 ILE CD1 C 13 14.4520 0.3 . 1 . . . . 33 ILE CD1 . 25925 1 400 . 1 1 33 33 ILE N N 15 120.9840 0.2 . 1 . . . . 33 ILE N . 25925 1 401 . 1 1 34 34 SER H H 1 9.4550 0.02 . 1 . . . . 34 SER H . 25925 1 402 . 1 1 34 34 SER HA H 1 4.4680 0.02 . 1 . . . . 34 SER HA . 25925 1 403 . 1 1 34 34 SER HB2 H 1 3.8470 0.02 . 2 . . . . 34 SER HB2 . 25925 1 404 . 1 1 34 34 SER HB3 H 1 4.0410 0.02 . 2 . . . . 34 SER HB3 . 25925 1 405 . 1 1 34 34 SER C C 13 175.0960 0.3 . 1 . . . . 34 SER C . 25925 1 406 . 1 1 34 34 SER CA C 13 60.7570 0.3 . 1 . . . . 34 SER CA . 25925 1 407 . 1 1 34 34 SER CB C 13 63.7140 0.3 . 1 . . . . 34 SER CB . 25925 1 408 . 1 1 34 34 SER N N 15 119.8350 0.2 . 1 . . . . 34 SER N . 25925 1 409 . 1 1 35 35 LEU H H 1 7.1280 0.02 . 1 . . . . 35 LEU H . 25925 1 410 . 1 1 35 35 LEU HA H 1 4.5630 0.02 . 1 . . . . 35 LEU HA . 25925 1 411 . 1 1 35 35 LEU HB2 H 1 1.6230 0.02 . 2 . . . . 35 LEU HB2 . 25925 1 412 . 1 1 35 35 LEU HB3 H 1 1.7050 0.02 . 2 . . . . 35 LEU HB3 . 25925 1 413 . 1 1 35 35 LEU HG H 1 1.5290 0.02 . 1 . . . . 35 LEU HG . 25925 1 414 . 1 1 35 35 LEU HD11 H 1 0.8460 0.02 . 2 . . . . 35 LEU HD11 . 25925 1 415 . 1 1 35 35 LEU HD12 H 1 0.8460 0.02 . 2 . . . . 35 LEU HD11 . 25925 1 416 . 1 1 35 35 LEU HD13 H 1 0.8460 0.02 . 2 . . . . 35 LEU HD11 . 25925 1 417 . 1 1 35 35 LEU HD21 H 1 0.9110 0.02 . 2 . . . . 35 LEU HD21 . 25925 1 418 . 1 1 35 35 LEU HD22 H 1 0.9110 0.02 . 2 . . . . 35 LEU HD21 . 25925 1 419 . 1 1 35 35 LEU HD23 H 1 0.9110 0.02 . 2 . . . . 35 LEU HD21 . 25925 1 420 . 1 1 35 35 LEU C C 13 176.8100 0.3 . 1 . . . . 35 LEU C . 25925 1 421 . 1 1 35 35 LEU CA C 13 55.1160 0.3 . 1 . . . . 35 LEU CA . 25925 1 422 . 1 1 35 35 LEU CB C 13 44.1000 0.3 . 1 . . . . 35 LEU CB . 25925 1 423 . 1 1 35 35 LEU CG C 13 26.8900 0.3 . 1 . . . . 35 LEU CG . 25925 1 424 . 1 1 35 35 LEU CD1 C 13 23.3900 0.3 . 2 . . . . 35 LEU CD1 . 25925 1 425 . 1 1 35 35 LEU CD2 C 13 25.0400 0.3 . 2 . . . . 35 LEU CD2 . 25925 1 426 . 1 1 35 35 LEU N N 15 121.3530 0.2 . 1 . . . . 35 LEU N . 25925 1 427 . 1 1 36 36 ASP H H 1 7.6880 0.02 . 1 . . . . 36 ASP H . 25925 1 428 . 1 1 36 36 ASP HA H 1 4.8590 0.02 . 1 . . . . 36 ASP HA . 25925 1 429 . 1 1 36 36 ASP HB2 H 1 2.8680 0.02 . 2 . . . . 36 ASP HB2 . 25925 1 430 . 1 1 36 36 ASP HB3 H 1 2.4600 0.02 . 2 . . . . 36 ASP HB3 . 25925 1 431 . 1 1 36 36 ASP C C 13 175.4700 0.3 . 1 . . . . 36 ASP C . 25925 1 432 . 1 1 36 36 ASP CA C 13 52.9790 0.3 . 1 . . . . 36 ASP CA . 25925 1 433 . 1 1 36 36 ASP CB C 13 41.5860 0.3 . 1 . . . . 36 ASP CB . 25925 1 434 . 1 1 36 36 ASP N N 15 120.0510 0.2 . 1 . . . . 36 ASP N . 25925 1 435 . 1 1 37 37 SER H H 1 8.6260 0.02 . 1 . . . . 37 SER H . 25925 1 436 . 1 1 37 37 SER HA H 1 4.0940 0.02 . 1 . . . . 37 SER HA . 25925 1 437 . 1 1 37 37 SER HB2 H 1 3.9090 0.02 . 2 . . . . 37 SER HB2 . 25925 1 438 . 1 1 37 37 SER HB3 H 1 3.9860 0.02 . 2 . . . . 37 SER HB3 . 25925 1 439 . 1 1 37 37 SER C C 13 176.1500 0.3 . 1 . . . . 37 SER C . 25925 1 440 . 1 1 37 37 SER CA C 13 61.3930 0.3 . 1 . . . . 37 SER CA . 25925 1 441 . 1 1 37 37 SER CB C 13 62.8770 0.3 . 1 . . . . 37 SER CB . 25925 1 442 . 1 1 37 37 SER N N 15 121.1870 0.2 . 1 . . . . 37 SER N . 25925 1 443 . 1 1 38 38 GLU H H 1 8.1630 0.02 . 1 . . . . 38 GLU H . 25925 1 444 . 1 1 38 38 GLU HA H 1 4.1540 0.02 . 1 . . . . 38 GLU HA . 25925 1 445 . 1 1 38 38 GLU HB2 H 1 2.1810 0.02 . 2 . . . . 38 GLU HB2 . 25925 1 446 . 1 1 38 38 GLU HB3 H 1 2.1090 0.02 . 2 . . . . 38 GLU HB3 . 25925 1 447 . 1 1 38 38 GLU HG2 H 1 2.3860 0.02 . 2 . . . . 38 GLU HG2 . 25925 1 448 . 1 1 38 38 GLU HG3 H 1 2.2710 0.02 . 2 . . . . 38 GLU HG3 . 25925 1 449 . 1 1 38 38 GLU C C 13 179.8000 0.3 . 1 . . . . 38 GLU C . 25925 1 450 . 1 1 38 38 GLU CA C 13 59.4350 0.3 . 1 . . . . 38 GLU CA . 25925 1 451 . 1 1 38 38 GLU CB C 13 29.0750 0.3 . 1 . . . . 38 GLU CB . 25925 1 452 . 1 1 38 38 GLU CG C 13 36.7500 0.3 . 1 . . . . 38 GLU CG . 25925 1 453 . 1 1 38 38 GLU N N 15 123.3160 0.2 . 1 . . . . 38 GLU N . 25925 1 454 . 1 1 39 39 ALA H H 1 8.1330 0.02 . 1 . . . . 39 ALA H . 25925 1 455 . 1 1 39 39 ALA HA H 1 4.2930 0.02 . 1 . . . . 39 ALA HA . 25925 1 456 . 1 1 39 39 ALA HB1 H 1 1.5840 0.02 . 1 . . . . 39 ALA HB1 . 25925 1 457 . 1 1 39 39 ALA HB2 H 1 1.5840 0.02 . 1 . . . . 39 ALA HB1 . 25925 1 458 . 1 1 39 39 ALA HB3 H 1 1.5840 0.02 . 1 . . . . 39 ALA HB1 . 25925 1 459 . 1 1 39 39 ALA C C 13 179.0800 0.3 . 1 . . . . 39 ALA C . 25925 1 460 . 1 1 39 39 ALA CA C 13 54.5130 0.3 . 1 . . . . 39 ALA CA . 25925 1 461 . 1 1 39 39 ALA CB C 13 19.7720 0.3 . 1 . . . . 39 ALA CB . 25925 1 462 . 1 1 39 39 ALA N N 15 124.6310 0.2 . 1 . . . . 39 ALA N . 25925 1 463 . 1 1 40 40 ARG H H 1 8.0900 0.02 . 1 . . . . 40 ARG H . 25925 1 464 . 1 1 40 40 ARG HA H 1 3.7620 0.02 . 1 . . . . 40 ARG HA . 25925 1 465 . 1 1 40 40 ARG HB2 H 1 2.1490 0.02 . 2 . . . . 40 ARG HB2 . 25925 1 466 . 1 1 40 40 ARG HB3 H 1 2.3350 0.02 . 2 . . . . 40 ARG HB3 . 25925 1 467 . 1 1 40 40 ARG HG2 H 1 1.5230 0.02 . 2 . . . . 40 ARG HG2 . 25925 1 468 . 1 1 40 40 ARG HG3 H 1 1.6660 0.02 . 2 . . . . 40 ARG HG3 . 25925 1 469 . 1 1 40 40 ARG HD2 H 1 3.2740 0.02 . 2 . . . . 40 ARG HD2 . 25925 1 470 . 1 1 40 40 ARG HD3 H 1 3.2740 0.02 . 2 . . . . 40 ARG HD3 . 25925 1 471 . 1 1 40 40 ARG HE H 1 7.0130 0.02 . 1 . . . . 40 ARG HE . 25925 1 472 . 1 1 40 40 ARG C C 13 178.1870 0.3 . 1 . . . . 40 ARG C . 25925 1 473 . 1 1 40 40 ARG CA C 13 60.3710 0.3 . 1 . . . . 40 ARG CA . 25925 1 474 . 1 1 40 40 ARG CB C 13 29.4080 0.3 . 1 . . . . 40 ARG CB . 25925 1 475 . 1 1 40 40 ARG CG C 13 27.4300 0.3 . 1 . . . . 40 ARG CG . 25925 1 476 . 1 1 40 40 ARG CD C 13 43.5000 0.3 . 1 . . . . 40 ARG CD . 25925 1 477 . 1 1 40 40 ARG N N 15 118.7250 0.2 . 1 . . . . 40 ARG N . 25925 1 478 . 1 1 40 40 ARG NE N 15 84.3770 0.2 . 1 . . . . 40 ARG NE . 25925 1 479 . 1 1 41 41 ASP H H 1 8.1840 0.02 . 1 . . . . 41 ASP H . 25925 1 480 . 1 1 41 41 ASP HA H 1 4.3560 0.02 . 1 . . . . 41 ASP HA . 25925 1 481 . 1 1 41 41 ASP HB2 H 1 2.8470 0.02 . 2 . . . . 41 ASP HB2 . 25925 1 482 . 1 1 41 41 ASP HB3 H 1 2.6580 0.02 . 2 . . . . 41 ASP HB3 . 25925 1 483 . 1 1 41 41 ASP C C 13 178.8300 0.3 . 1 . . . . 41 ASP C . 25925 1 484 . 1 1 41 41 ASP CA C 13 57.4470 0.3 . 1 . . . . 41 ASP CA . 25925 1 485 . 1 1 41 41 ASP CB C 13 39.7680 0.3 . 1 . . . . 41 ASP CB . 25925 1 486 . 1 1 41 41 ASP N N 15 118.9870 0.2 . 1 . . . . 41 ASP N . 25925 1 487 . 1 1 42 42 TYR H H 1 8.0270 0.02 . 1 . . . . 42 TYR H . 25925 1 488 . 1 1 42 42 TYR HA H 1 4.2620 0.02 . 1 . . . . 42 TYR HA . 25925 1 489 . 1 1 42 42 TYR HB2 H 1 3.1610 0.02 . 2 . . . . 42 TYR HB2 . 25925 1 490 . 1 1 42 42 TYR HB3 H 1 3.1610 0.02 . 2 . . . . 42 TYR HB3 . 25925 1 491 . 1 1 42 42 TYR HD1 H 1 6.8210 0.02 . 3 . . . . 42 TYR HD1 . 25925 1 492 . 1 1 42 42 TYR HD2 H 1 6.8210 0.02 . 3 . . . . 42 TYR HD2 . 25925 1 493 . 1 1 42 42 TYR HE1 H 1 6.6310 0.02 . 3 . . . . 42 TYR HE1 . 25925 1 494 . 1 1 42 42 TYR HE2 H 1 6.6310 0.02 . 3 . . . . 42 TYR HE2 . 25925 1 495 . 1 1 42 42 TYR C C 13 177.1700 0.3 . 1 . . . . 42 TYR C . 25925 1 496 . 1 1 42 42 TYR CA C 13 61.0080 0.3 . 1 . . . . 42 TYR CA . 25925 1 497 . 1 1 42 42 TYR CB C 13 38.0520 0.3 . 1 . . . . 42 TYR CB . 25925 1 498 . 1 1 42 42 TYR CD1 C 13 133.1400 0.3 . 3 . . . . 42 TYR CD1 . 25925 1 499 . 1 1 42 42 TYR CD2 C 13 133.1400 0.3 . 3 . . . . 42 TYR CD2 . 25925 1 500 . 1 1 42 42 TYR CE1 C 13 117.8200 0.3 . 3 . . . . 42 TYR CE1 . 25925 1 501 . 1 1 42 42 TYR CE2 C 13 117.8200 0.3 . 3 . . . . 42 TYR CE2 . 25925 1 502 . 1 1 42 42 TYR N N 15 123.2250 0.2 . 1 . . . . 42 TYR N . 25925 1 503 . 1 1 43 43 VAL H H 1 7.9930 0.02 . 1 . . . . 43 VAL H . 25925 1 504 . 1 1 43 43 VAL HA H 1 3.3410 0.02 . 1 . . . . 43 VAL HA . 25925 1 505 . 1 1 43 43 VAL HB H 1 2.0230 0.02 . 1 . . . . 43 VAL HB . 25925 1 506 . 1 1 43 43 VAL HG11 H 1 0.4760 0.02 . 2 . . . . 43 VAL HG11 . 25925 1 507 . 1 1 43 43 VAL HG12 H 1 0.4760 0.02 . 2 . . . . 43 VAL HG11 . 25925 1 508 . 1 1 43 43 VAL HG13 H 1 0.4760 0.02 . 2 . . . . 43 VAL HG11 . 25925 1 509 . 1 1 43 43 VAL HG21 H 1 0.7510 0.02 . 2 . . . . 43 VAL HG21 . 25925 1 510 . 1 1 43 43 VAL HG22 H 1 0.7510 0.02 . 2 . . . . 43 VAL HG21 . 25925 1 511 . 1 1 43 43 VAL HG23 H 1 0.7510 0.02 . 2 . . . . 43 VAL HG21 . 25925 1 512 . 1 1 43 43 VAL C C 13 178.6500 0.3 . 1 . . . . 43 VAL C . 25925 1 513 . 1 1 43 43 VAL CA C 13 66.0080 0.3 . 1 . . . . 43 VAL CA . 25925 1 514 . 1 1 43 43 VAL CB C 13 31.2590 0.3 . 1 . . . . 43 VAL CB . 25925 1 515 . 1 1 43 43 VAL CG1 C 13 22.1400 0.3 . 2 . . . . 43 VAL CG1 . 25925 1 516 . 1 1 43 43 VAL CG2 C 13 21.0700 0.3 . 2 . . . . 43 VAL CG2 . 25925 1 517 . 1 1 43 43 VAL N N 15 115.0020 0.2 . 1 . . . . 43 VAL N . 25925 1 518 . 1 1 44 44 MET H H 1 7.9920 0.02 . 1 . . . . 44 MET H . 25925 1 519 . 1 1 44 44 MET HA H 1 4.4090 0.02 . 1 . . . . 44 MET HA . 25925 1 520 . 1 1 44 44 MET HB2 H 1 2.1240 0.02 . 2 . . . . 44 MET HB2 . 25925 1 521 . 1 1 44 44 MET HB3 H 1 2.1240 0.02 . 2 . . . . 44 MET HB3 . 25925 1 522 . 1 1 44 44 MET HG2 H 1 2.7570 0.02 . 2 . . . . 44 MET HG2 . 25925 1 523 . 1 1 44 44 MET HG3 H 1 2.5390 0.02 . 2 . . . . 44 MET HG3 . 25925 1 524 . 1 1 44 44 MET HE1 H 1 2.0650 0.02 . 1 . . . . 44 MET HE1 . 25925 1 525 . 1 1 44 44 MET HE2 H 1 2.0650 0.02 . 1 . . . . 44 MET HE1 . 25925 1 526 . 1 1 44 44 MET HE3 H 1 2.0650 0.02 . 1 . . . . 44 MET HE1 . 25925 1 527 . 1 1 44 44 MET C C 13 180.7000 0.3 . 1 . . . . 44 MET C . 25925 1 528 . 1 1 44 44 MET CA C 13 58.6760 0.3 . 1 . . . . 44 MET CA . 25925 1 529 . 1 1 44 44 MET CB C 13 32.4340 0.3 . 1 . . . . 44 MET CB . 25925 1 530 . 1 1 44 44 MET CG C 13 32.3000 0.3 . 1 . . . . 44 MET CG . 25925 1 531 . 1 1 44 44 MET CE C 13 17.0300 0.3 . 1 . . . . 44 MET CE . 25925 1 532 . 1 1 44 44 MET N N 15 119.4910 0.2 . 1 . . . . 44 MET N . 25925 1 533 . 1 1 45 45 ALA H H 1 8.0440 0.02 . 1 . . . . 45 ALA H . 25925 1 534 . 1 1 45 45 ALA HA H 1 4.0710 0.02 . 1 . . . . 45 ALA HA . 25925 1 535 . 1 1 45 45 ALA HB1 H 1 1.4390 0.02 . 1 . . . . 45 ALA HB1 . 25925 1 536 . 1 1 45 45 ALA HB2 H 1 1.4390 0.02 . 1 . . . . 45 ALA HB1 . 25925 1 537 . 1 1 45 45 ALA HB3 H 1 1.4390 0.02 . 1 . . . . 45 ALA HB1 . 25925 1 538 . 1 1 45 45 ALA C C 13 179.8000 0.3 . 1 . . . . 45 ALA C . 25925 1 539 . 1 1 45 45 ALA CA C 13 54.5420 0.3 . 1 . . . . 45 ALA CA . 25925 1 540 . 1 1 45 45 ALA CB C 13 17.6340 0.3 . 1 . . . . 45 ALA CB . 25925 1 541 . 1 1 45 45 ALA N N 15 124.8670 0.2 . 1 . . . . 45 ALA N . 25925 1 542 . 1 1 46 46 LEU H H 1 7.2650 0.02 . 1 . . . . 46 LEU H . 25925 1 543 . 1 1 46 46 LEU HA H 1 3.8590 0.02 . 1 . . . . 46 LEU HA . 25925 1 544 . 1 1 46 46 LEU HB2 H 1 1.6490 0.02 . 2 . . . . 46 LEU HB2 . 25925 1 545 . 1 1 46 46 LEU HB3 H 1 1.0180 0.02 . 2 . . . . 46 LEU HB3 . 25925 1 546 . 1 1 46 46 LEU HG H 1 1.1180 0.02 . 1 . . . . 46 LEU HG . 25925 1 547 . 1 1 46 46 LEU HD11 H 1 0.1900 0.02 . 2 . . . . 46 LEU HD11 . 25925 1 548 . 1 1 46 46 LEU HD12 H 1 0.1900 0.02 . 2 . . . . 46 LEU HD11 . 25925 1 549 . 1 1 46 46 LEU HD13 H 1 0.1900 0.02 . 2 . . . . 46 LEU HD11 . 25925 1 550 . 1 1 46 46 LEU HD21 H 1 0.3250 0.02 . 2 . . . . 46 LEU HD21 . 25925 1 551 . 1 1 46 46 LEU HD22 H 1 0.3250 0.02 . 2 . . . . 46 LEU HD21 . 25925 1 552 . 1 1 46 46 LEU HD23 H 1 0.3250 0.02 . 2 . . . . 46 LEU HD21 . 25925 1 553 . 1 1 46 46 LEU C C 13 176.9000 0.3 . 1 . . . . 46 LEU C . 25925 1 554 . 1 1 46 46 LEU CA C 13 55.4850 0.3 . 1 . . . . 46 LEU CA . 25925 1 555 . 1 1 46 46 LEU CB C 13 42.7970 0.3 . 1 . . . . 46 LEU CB . 25925 1 556 . 1 1 46 46 LEU CG C 13 25.3700 0.3 . 1 . . . . 46 LEU CG . 25925 1 557 . 1 1 46 46 LEU CD1 C 13 24.9300 0.3 . 2 . . . . 46 LEU CD1 . 25925 1 558 . 1 1 46 46 LEU CD2 C 13 21.7500 0.3 . 2 . . . . 46 LEU CD2 . 25925 1 559 . 1 1 46 46 LEU N N 15 117.4970 0.2 . 1 . . . . 46 LEU N . 25925 1 560 . 1 1 47 47 GLY H H 1 7.5100 0.02 . 1 . . . . 47 GLY H . 25925 1 561 . 1 1 47 47 GLY HA2 H 1 3.9400 0.02 . 2 . . . . 47 GLY HA2 . 25925 1 562 . 1 1 47 47 GLY HA3 H 1 3.4600 0.02 . 2 . . . . 47 GLY HA3 . 25925 1 563 . 1 1 47 47 GLY C C 13 173.9300 0.3 . 1 . . . . 47 GLY C . 25925 1 564 . 1 1 47 47 GLY CA C 13 44.4010 0.3 . 1 . . . . 47 GLY CA . 25925 1 565 . 1 1 47 47 GLY N N 15 104.1150 0.2 . 1 . . . . 47 GLY N . 25925 1 566 . 1 1 48 48 TYR H H 1 7.3230 0.02 . 1 . . . . 48 TYR H . 25925 1 567 . 1 1 48 48 TYR HA H 1 4.7770 0.02 . 1 . . . . 48 TYR HA . 25925 1 568 . 1 1 48 48 TYR HB2 H 1 2.9190 0.02 . 2 . . . . 48 TYR HB2 . 25925 1 569 . 1 1 48 48 TYR HB3 H 1 2.4390 0.02 . 2 . . . . 48 TYR HB3 . 25925 1 570 . 1 1 48 48 TYR HD1 H 1 6.9740 0.02 . 3 . . . . 48 TYR HD1 . 25925 1 571 . 1 1 48 48 TYR HD2 H 1 6.9740 0.02 . 3 . . . . 48 TYR HD2 . 25925 1 572 . 1 1 48 48 TYR HE1 H 1 6.6840 0.02 . 3 . . . . 48 TYR HE1 . 25925 1 573 . 1 1 48 48 TYR HE2 H 1 6.6840 0.02 . 3 . . . . 48 TYR HE2 . 25925 1 574 . 1 1 48 48 TYR C C 13 174.8800 0.3 . 1 . . . . 48 TYR C . 25925 1 575 . 1 1 48 48 TYR CA C 13 57.2740 0.3 . 1 . . . . 48 TYR CA . 25925 1 576 . 1 1 48 48 TYR CB C 13 40.1870 0.3 . 1 . . . . 48 TYR CB . 25925 1 577 . 1 1 48 48 TYR CD1 C 13 133.2800 0.3 . 3 . . . . 48 TYR CD1 . 25925 1 578 . 1 1 48 48 TYR CD2 C 13 133.2800 0.3 . 3 . . . . 48 TYR CD2 . 25925 1 579 . 1 1 48 48 TYR CE1 C 13 117.6000 0.3 . 3 . . . . 48 TYR CE1 . 25925 1 580 . 1 1 48 48 TYR CE2 C 13 117.6000 0.3 . 3 . . . . 48 TYR CE2 . 25925 1 581 . 1 1 48 48 TYR N N 15 119.4410 0.2 . 1 . . . . 48 TYR N . 25925 1 582 . 1 1 49 49 LEU H H 1 8.4040 0.02 . 1 . . . . 49 LEU H . 25925 1 583 . 1 1 49 49 LEU HA H 1 4.4570 0.02 . 1 . . . . 49 LEU HA . 25925 1 584 . 1 1 49 49 LEU HB2 H 1 1.6380 0.02 . 2 . . . . 49 LEU HB2 . 25925 1 585 . 1 1 49 49 LEU HB3 H 1 1.6380 0.02 . 2 . . . . 49 LEU HB3 . 25925 1 586 . 1 1 49 49 LEU HG H 1 1.6030 0.02 . 1 . . . . 49 LEU HG . 25925 1 587 . 1 1 49 49 LEU HD11 H 1 0.8440 0.02 . 2 . . . . 49 LEU HD11 . 25925 1 588 . 1 1 49 49 LEU HD12 H 1 0.8440 0.02 . 2 . . . . 49 LEU HD11 . 25925 1 589 . 1 1 49 49 LEU HD13 H 1 0.8440 0.02 . 2 . . . . 49 LEU HD11 . 25925 1 590 . 1 1 49 49 LEU HD21 H 1 0.9040 0.02 . 2 . . . . 49 LEU HD21 . 25925 1 591 . 1 1 49 49 LEU HD22 H 1 0.9040 0.02 . 2 . . . . 49 LEU HD21 . 25925 1 592 . 1 1 49 49 LEU HD23 H 1 0.9040 0.02 . 2 . . . . 49 LEU HD21 . 25925 1 593 . 1 1 49 49 LEU C C 13 177.0000 0.3 . 1 . . . . 49 LEU C . 25925 1 594 . 1 1 49 49 LEU CA C 13 55.0950 0.3 . 1 . . . . 49 LEU CA . 25925 1 595 . 1 1 49 49 LEU CB C 13 44.0630 0.3 . 1 . . . . 49 LEU CB . 25925 1 596 . 1 1 49 49 LEU CG C 13 27.0600 0.3 . 1 . . . . 49 LEU CG . 25925 1 597 . 1 1 49 49 LEU CD1 C 13 23.2700 0.3 . 2 . . . . 49 LEU CD1 . 25925 1 598 . 1 1 49 49 LEU CD2 C 13 25.0000 0.3 . 2 . . . . 49 LEU CD2 . 25925 1 599 . 1 1 49 49 LEU N N 15 119.6820 0.2 . 1 . . . . 49 LEU N . 25925 1 600 . 1 1 50 50 GLN H H 1 7.7650 0.02 . 1 . . . . 50 GLN H . 25925 1 601 . 1 1 50 50 GLN HA H 1 4.6510 0.02 . 1 . . . . 50 GLN HA . 25925 1 602 . 1 1 50 50 GLN HB2 H 1 2.0910 0.02 . 2 . . . . 50 GLN HB2 . 25925 1 603 . 1 1 50 50 GLN HB3 H 1 1.9290 0.02 . 2 . . . . 50 GLN HB3 . 25925 1 604 . 1 1 50 50 GLN HG2 H 1 2.3500 0.02 . 2 . . . . 50 GLN HG2 . 25925 1 605 . 1 1 50 50 GLN HG3 H 1 2.3500 0.02 . 2 . . . . 50 GLN HG3 . 25925 1 606 . 1 1 50 50 GLN HE21 H 1 7.5620 0.02 . 2 . . . . 50 GLN HE21 . 25925 1 607 . 1 1 50 50 GLN HE22 H 1 6.9490 0.02 . 2 . . . . 50 GLN HE22 . 25925 1 608 . 1 1 50 50 GLN C C 13 173.5300 0.3 . 1 . . . . 50 GLN C . 25925 1 609 . 1 1 50 50 GLN CA C 13 54.0470 0.3 . 1 . . . . 50 GLN CA . 25925 1 610 . 1 1 50 50 GLN CB C 13 31.4340 0.3 . 1 . . . . 50 GLN CB . 25925 1 611 . 1 1 50 50 GLN CG C 13 33.1900 0.3 . 1 . . . . 50 GLN CG . 25925 1 612 . 1 1 50 50 GLN N N 15 117.1070 0.2 . 1 . . . . 50 GLN N . 25925 1 613 . 1 1 50 50 GLN NE2 N 15 112.3630 0.2 . 1 . . . . 50 GLN NE2 . 25925 1 614 . 1 1 51 51 ALA H H 1 8.1570 0.02 . 1 . . . . 51 ALA H . 25925 1 615 . 1 1 51 51 ALA HA H 1 4.2680 0.02 . 1 . . . . 51 ALA HA . 25925 1 616 . 1 1 51 51 ALA HB1 H 1 1.3110 0.02 . 1 . . . . 51 ALA HB1 . 25925 1 617 . 1 1 51 51 ALA HB2 H 1 1.3110 0.02 . 1 . . . . 51 ALA HB1 . 25925 1 618 . 1 1 51 51 ALA HB3 H 1 1.3110 0.02 . 1 . . . . 51 ALA HB1 . 25925 1 619 . 1 1 51 51 ALA C C 13 174.5800 0.3 . 1 . . . . 51 ALA C . 25925 1 620 . 1 1 51 51 ALA CA C 13 49.6410 0.3 . 1 . . . . 51 ALA CA . 25925 1 621 . 1 1 51 51 ALA CB C 13 18.6940 0.3 . 1 . . . . 51 ALA CB . 25925 1 622 . 1 1 51 51 ALA N N 15 122.5590 0.2 . 1 . . . . 51 ALA N . 25925 1 623 . 1 1 52 52 PRO HA H 1 5.2250 0.02 . 1 . . . . 52 PRO HA . 25925 1 624 . 1 1 52 52 PRO HB2 H 1 2.3310 0.02 . 2 . . . . 52 PRO HB2 . 25925 1 625 . 1 1 52 52 PRO HB3 H 1 1.7670 0.02 . 2 . . . . 52 PRO HB3 . 25925 1 626 . 1 1 52 52 PRO HG2 H 1 1.7440 0.02 . 2 . . . . 52 PRO HG2 . 25925 1 627 . 1 1 52 52 PRO HG3 H 1 1.6850 0.02 . 2 . . . . 52 PRO HG3 . 25925 1 628 . 1 1 52 52 PRO HD2 H 1 3.5690 0.02 . 2 . . . . 52 PRO HD2 . 25925 1 629 . 1 1 52 52 PRO HD3 H 1 3.2280 0.02 . 2 . . . . 52 PRO HD3 . 25925 1 630 . 1 1 52 52 PRO C C 13 174.9200 0.3 . 1 . . . . 52 PRO C . 25925 1 631 . 1 1 52 52 PRO CA C 13 61.4220 0.3 . 1 . . . . 52 PRO CA . 25925 1 632 . 1 1 52 52 PRO CB C 13 35.2530 0.3 . 1 . . . . 52 PRO CB . 25925 1 633 . 1 1 52 52 PRO CG C 13 23.3700 0.3 . 1 . . . . 52 PRO CG . 25925 1 634 . 1 1 52 52 PRO CD C 13 51.0000 0.3 . 1 . . . . 52 PRO CD . 25925 1 635 . 1 1 53 53 VAL H H 1 8.2890 0.02 . 1 . . . . 53 VAL H . 25925 1 636 . 1 1 53 53 VAL HA H 1 4.5440 0.02 . 1 . . . . 53 VAL HA . 25925 1 637 . 1 1 53 53 VAL HB H 1 1.7710 0.02 . 1 . . . . 53 VAL HB . 25925 1 638 . 1 1 53 53 VAL HG11 H 1 0.6510 0.02 . 2 . . . . 53 VAL HG11 . 25925 1 639 . 1 1 53 53 VAL HG12 H 1 0.6510 0.02 . 2 . . . . 53 VAL HG11 . 25925 1 640 . 1 1 53 53 VAL HG13 H 1 0.6510 0.02 . 2 . . . . 53 VAL HG11 . 25925 1 641 . 1 1 53 53 VAL HG21 H 1 0.5120 0.02 . 2 . . . . 53 VAL HG21 . 25925 1 642 . 1 1 53 53 VAL HG22 H 1 0.5120 0.02 . 2 . . . . 53 VAL HG21 . 25925 1 643 . 1 1 53 53 VAL HG23 H 1 0.5120 0.02 . 2 . . . . 53 VAL HG21 . 25925 1 644 . 1 1 53 53 VAL C C 13 173.9900 0.3 . 1 . . . . 53 VAL C . 25925 1 645 . 1 1 53 53 VAL CA C 13 61.2520 0.3 . 1 . . . . 53 VAL CA . 25925 1 646 . 1 1 53 53 VAL CB C 13 35.3390 0.3 . 1 . . . . 53 VAL CB . 25925 1 647 . 1 1 53 53 VAL CG1 C 13 22.1600 0.3 . 2 . . . . 53 VAL CG1 . 25925 1 648 . 1 1 53 53 VAL CG2 C 13 20.9500 0.3 . 2 . . . . 53 VAL CG2 . 25925 1 649 . 1 1 53 53 VAL N N 15 119.3230 0.2 . 1 . . . . 53 VAL N . 25925 1 650 . 1 1 54 54 VAL H H 1 8.5290 0.02 . 1 . . . . 54 VAL H . 25925 1 651 . 1 1 54 54 VAL HA H 1 4.6050 0.02 . 1 . . . . 54 VAL HA . 25925 1 652 . 1 1 54 54 VAL HB H 1 -0.1720 0.02 . 1 . . . . 54 VAL HB . 25925 1 653 . 1 1 54 54 VAL HG11 H 1 0.1180 0.02 . 2 . . . . 54 VAL HG11 . 25925 1 654 . 1 1 54 54 VAL HG12 H 1 0.1180 0.02 . 2 . . . . 54 VAL HG11 . 25925 1 655 . 1 1 54 54 VAL HG13 H 1 0.1180 0.02 . 2 . . . . 54 VAL HG11 . 25925 1 656 . 1 1 54 54 VAL HG21 H 1 0.5590 0.02 . 2 . . . . 54 VAL HG21 . 25925 1 657 . 1 1 54 54 VAL HG22 H 1 0.5590 0.02 . 2 . . . . 54 VAL HG21 . 25925 1 658 . 1 1 54 54 VAL HG23 H 1 0.5590 0.02 . 2 . . . . 54 VAL HG21 . 25925 1 659 . 1 1 54 54 VAL C C 13 173.9280 0.3 . 1 . . . . 54 VAL C . 25925 1 660 . 1 1 54 54 VAL CA C 13 60.4330 0.3 . 1 . . . . 54 VAL CA . 25925 1 661 . 1 1 54 54 VAL CB C 13 32.4490 0.3 . 1 . . . . 54 VAL CB . 25925 1 662 . 1 1 54 54 VAL CG1 C 13 21.1600 0.3 . 2 . . . . 54 VAL CG1 . 25925 1 663 . 1 1 54 54 VAL CG2 C 13 21.9600 0.3 . 2 . . . . 54 VAL CG2 . 25925 1 664 . 1 1 54 54 VAL N N 15 128.0260 0.2 . 1 . . . . 54 VAL N . 25925 1 665 . 1 1 55 55 VAL H H 1 8.6690 0.02 . 1 . . . . 55 VAL H . 25925 1 666 . 1 1 55 55 VAL HA H 1 4.4810 0.02 . 1 . . . . 55 VAL HA . 25925 1 667 . 1 1 55 55 VAL HB H 1 2.1470 0.02 . 1 . . . . 55 VAL HB . 25925 1 668 . 1 1 55 55 VAL HG11 H 1 1.1210 0.02 . 2 . . . . 55 VAL HG11 . 25925 1 669 . 1 1 55 55 VAL HG12 H 1 1.1210 0.02 . 2 . . . . 55 VAL HG11 . 25925 1 670 . 1 1 55 55 VAL HG13 H 1 1.1210 0.02 . 2 . . . . 55 VAL HG11 . 25925 1 671 . 1 1 55 55 VAL HG21 H 1 1.0200 0.02 . 2 . . . . 55 VAL HG21 . 25925 1 672 . 1 1 55 55 VAL HG22 H 1 1.0200 0.02 . 2 . . . . 55 VAL HG21 . 25925 1 673 . 1 1 55 55 VAL HG23 H 1 1.0200 0.02 . 2 . . . . 55 VAL HG21 . 25925 1 674 . 1 1 55 55 VAL C C 13 174.8300 0.3 . 1 . . . . 55 VAL C . 25925 1 675 . 1 1 55 55 VAL CA C 13 61.6000 0.3 . 1 . . . . 55 VAL CA . 25925 1 676 . 1 1 55 55 VAL CB C 13 33.9310 0.3 . 1 . . . . 55 VAL CB . 25925 1 677 . 1 1 55 55 VAL CG1 C 13 21.0800 0.3 . 2 . . . . 55 VAL CG1 . 25925 1 678 . 1 1 55 55 VAL CG2 C 13 21.6700 0.3 . 2 . . . . 55 VAL CG2 . 25925 1 679 . 1 1 55 55 VAL N N 15 124.0950 0.2 . 1 . . . . 55 VAL N . 25925 1 680 . 1 1 56 56 ALA H H 1 8.9770 0.02 . 1 . . . . 56 ALA H . 25925 1 681 . 1 1 56 56 ALA HA H 1 5.1130 0.02 . 1 . . . . 56 ALA HA . 25925 1 682 . 1 1 56 56 ALA HB1 H 1 1.3020 0.02 . 1 . . . . 56 ALA HB1 . 25925 1 683 . 1 1 56 56 ALA HB2 H 1 1.3020 0.02 . 1 . . . . 56 ALA HB1 . 25925 1 684 . 1 1 56 56 ALA HB3 H 1 1.3020 0.02 . 1 . . . . 56 ALA HB1 . 25925 1 685 . 1 1 56 56 ALA C C 13 176.7000 0.3 . 1 . . . . 56 ALA C . 25925 1 686 . 1 1 56 56 ALA CA C 13 49.8750 0.3 . 1 . . . . 56 ALA CA . 25925 1 687 . 1 1 56 56 ALA CB C 13 21.1050 0.3 . 1 . . . . 56 ALA CB . 25925 1 688 . 1 1 56 56 ALA N N 15 133.2110 0.2 . 1 . . . . 56 ALA N . 25925 1 689 . 1 1 57 57 GLY H H 1 8.6140 0.02 . 1 . . . . 57 GLY H . 25925 1 690 . 1 1 57 57 GLY HA2 H 1 3.7520 0.02 . 2 . . . . 57 GLY HA2 . 25925 1 691 . 1 1 57 57 GLY HA3 H 1 4.0570 0.02 . 2 . . . . 57 GLY HA3 . 25925 1 692 . 1 1 57 57 GLY C C 13 174.5600 0.3 . 1 . . . . 57 GLY C . 25925 1 693 . 1 1 57 57 GLY CA C 13 47.4690 0.3 . 1 . . . . 57 GLY CA . 25925 1 694 . 1 1 57 57 GLY N N 15 114.2550 0.2 . 1 . . . . 57 GLY N . 25925 1 695 . 1 1 58 58 ASN H H 1 9.0250 0.02 . 1 . . . . 58 ASN H . 25925 1 696 . 1 1 58 58 ASN HA H 1 4.8570 0.02 . 1 . . . . 58 ASN HA . 25925 1 697 . 1 1 58 58 ASN HB2 H 1 2.9820 0.02 . 2 . . . . 58 ASN HB2 . 25925 1 698 . 1 1 58 58 ASN HB3 H 1 2.7650 0.02 . 2 . . . . 58 ASN HB3 . 25925 1 699 . 1 1 58 58 ASN HD21 H 1 7.6740 0.02 . 2 . . . . 58 ASN HD21 . 25925 1 700 . 1 1 58 58 ASN HD22 H 1 6.9870 0.02 . 2 . . . . 58 ASN HD22 . 25925 1 701 . 1 1 58 58 ASN C C 13 174.2700 0.3 . 1 . . . . 58 ASN C . 25925 1 702 . 1 1 58 58 ASN CA C 13 53.5030 0.3 . 1 . . . . 58 ASN CA . 25925 1 703 . 1 1 58 58 ASN CB C 13 39.0870 0.3 . 1 . . . . 58 ASN CB . 25925 1 704 . 1 1 58 58 ASN N N 15 125.1260 0.2 . 1 . . . . 58 ASN N . 25925 1 705 . 1 1 58 58 ASN ND2 N 15 113.2290 0.2 . 1 . . . . 58 ASN ND2 . 25925 1 706 . 1 1 59 59 ASP H H 1 8.1220 0.02 . 1 . . . . 59 ASP H . 25925 1 707 . 1 1 59 59 ASP HA H 1 4.9400 0.02 . 1 . . . . 59 ASP HA . 25925 1 708 . 1 1 59 59 ASP HB2 H 1 2.8870 0.02 . 2 . . . . 59 ASP HB2 . 25925 1 709 . 1 1 59 59 ASP HB3 H 1 2.8870 0.02 . 2 . . . . 59 ASP HB3 . 25925 1 710 . 1 1 59 59 ASP C C 13 174.1350 0.3 . 1 . . . . 59 ASP C . 25925 1 711 . 1 1 59 59 ASP CA C 13 53.4230 0.3 . 1 . . . . 59 ASP CA . 25925 1 712 . 1 1 59 59 ASP CB C 13 43.7520 0.3 . 1 . . . . 59 ASP CB . 25925 1 713 . 1 1 59 59 ASP N N 15 120.9900 0.2 . 1 . . . . 59 ASP N . 25925 1 714 . 1 1 60 60 HIS H H 1 7.9980 0.02 . 1 . . . . 60 HIS H . 25925 1 715 . 1 1 60 60 HIS HA H 1 5.5440 0.02 . 1 . . . . 60 HIS HA . 25925 1 716 . 1 1 60 60 HIS HB2 H 1 3.4650 0.02 . 2 . . . . 60 HIS HB2 . 25925 1 717 . 1 1 60 60 HIS HB3 H 1 2.8930 0.02 . 2 . . . . 60 HIS HB3 . 25925 1 718 . 1 1 60 60 HIS HD2 H 1 7.0520 0.02 . 1 . . . . 60 HIS HD2 . 25925 1 719 . 1 1 60 60 HIS HE1 H 1 8.0130 0.02 . 1 . . . . 60 HIS HE1 . 25925 1 720 . 1 1 60 60 HIS C C 13 174.3760 0.3 . 1 . . . . 60 HIS C . 25925 1 721 . 1 1 60 60 HIS CA C 13 54.0390 0.3 . 1 . . . . 60 HIS CA . 25925 1 722 . 1 1 60 60 HIS CB C 13 33.8300 0.3 . 1 . . . . 60 HIS CB . 25925 1 723 . 1 1 60 60 HIS CD2 C 13 119.7500 0.3 . 1 . . . . 60 HIS CD2 . 25925 1 724 . 1 1 60 60 HIS CE1 C 13 138.0200 0.3 . 1 . . . . 60 HIS CE1 . 25925 1 725 . 1 1 60 60 HIS N N 15 115.5080 0.2 . 1 . . . . 60 HIS N . 25925 1 726 . 1 1 61 61 TRP H H 1 8.4150 0.02 . 1 . . . . 61 TRP H . 25925 1 727 . 1 1 61 61 TRP HA H 1 5.1630 0.02 . 1 . . . . 61 TRP HA . 25925 1 728 . 1 1 61 61 TRP HB2 H 1 3.6890 0.02 . 2 . . . . 61 TRP HB2 . 25925 1 729 . 1 1 61 61 TRP HB3 H 1 3.1570 0.02 . 2 . . . . 61 TRP HB3 . 25925 1 730 . 1 1 61 61 TRP HD1 H 1 6.8130 0.02 . 1 . . . . 61 TRP HD1 . 25925 1 731 . 1 1 61 61 TRP HE1 H 1 9.8770 0.02 . 1 . . . . 61 TRP HE1 . 25925 1 732 . 1 1 61 61 TRP HE3 H 1 7.1790 0.02 . 1 . . . . 61 TRP HE3 . 25925 1 733 . 1 1 61 61 TRP HZ2 H 1 6.8590 0.02 . 1 . . . . 61 TRP HZ2 . 25925 1 734 . 1 1 61 61 TRP HZ3 H 1 6.9180 0.02 . 1 . . . . 61 TRP HZ3 . 25925 1 735 . 1 1 61 61 TRP HH2 H 1 6.7830 0.02 . 1 . . . . 61 TRP HH2 . 25925 1 736 . 1 1 61 61 TRP C C 13 172.3100 0.3 . 1 . . . . 61 TRP C . 25925 1 737 . 1 1 61 61 TRP CA C 13 57.4650 0.3 . 1 . . . . 61 TRP CA . 25925 1 738 . 1 1 61 61 TRP CB C 13 30.3250 0.3 . 1 . . . . 61 TRP CB . 25925 1 739 . 1 1 61 61 TRP CD1 C 13 126.2200 0.3 . 1 . . . . 61 TRP CD1 . 25925 1 740 . 1 1 61 61 TRP CE3 C 13 121.2600 0.3 . 1 . . . . 61 TRP CE3 . 25925 1 741 . 1 1 61 61 TRP CZ2 C 13 112.8500 0.3 . 1 . . . . 61 TRP CZ2 . 25925 1 742 . 1 1 61 61 TRP CZ3 C 13 121.8000 0.3 . 1 . . . . 61 TRP CZ3 . 25925 1 743 . 1 1 61 61 TRP CH2 C 13 123.8940 0.3 . 1 . . . . 61 TRP CH2 . 25925 1 744 . 1 1 61 61 TRP N N 15 115.5770 0.2 . 1 . . . . 61 TRP N . 25925 1 745 . 1 1 61 61 TRP NE1 N 15 128.0590 0.2 . 1 . . . . 61 TRP NE1 . 25925 1 746 . 1 1 62 62 SER H H 1 8.4740 0.02 . 1 . . . . 62 SER H . 25925 1 747 . 1 1 62 62 SER HA H 1 5.5250 0.02 . 1 . . . . 62 SER HA . 25925 1 748 . 1 1 62 62 SER HB2 H 1 3.8390 0.02 . 2 . . . . 62 SER HB2 . 25925 1 749 . 1 1 62 62 SER HB3 H 1 3.3110 0.02 . 2 . . . . 62 SER HB3 . 25925 1 750 . 1 1 62 62 SER C C 13 175.3600 0.3 . 1 . . . . 62 SER C . 25925 1 751 . 1 1 62 62 SER CA C 13 55.5140 0.3 . 1 . . . . 62 SER CA . 25925 1 752 . 1 1 62 62 SER CB C 13 67.0990 0.3 . 1 . . . . 62 SER CB . 25925 1 753 . 1 1 62 62 SER N N 15 111.7460 0.2 . 1 . . . . 62 SER N . 25925 1 754 . 1 1 63 63 GLY H H 1 8.1610 0.02 . 1 . . . . 63 GLY H . 25925 1 755 . 1 1 63 63 GLY HA2 H 1 4.4770 0.02 . 2 . . . . 63 GLY HA2 . 25925 1 756 . 1 1 63 63 GLY HA3 H 1 3.7900 0.02 . 2 . . . . 63 GLY HA3 . 25925 1 757 . 1 1 63 63 GLY C C 13 173.6800 0.3 . 1 . . . . 63 GLY C . 25925 1 758 . 1 1 63 63 GLY CA C 13 44.1300 0.3 . 1 . . . . 63 GLY CA . 25925 1 759 . 1 1 63 63 GLY N N 15 106.0130 0.2 . 1 . . . . 63 GLY N . 25925 1 760 . 1 1 64 64 PHE H H 1 8.9660 0.02 . 1 . . . . 64 PHE H . 25925 1 761 . 1 1 64 64 PHE HA H 1 4.9730 0.02 . 1 . . . . 64 PHE HA . 25925 1 762 . 1 1 64 64 PHE HB2 H 1 3.1490 0.02 . 2 . . . . 64 PHE HB2 . 25925 1 763 . 1 1 64 64 PHE HB3 H 1 3.1490 0.02 . 2 . . . . 64 PHE HB3 . 25925 1 764 . 1 1 64 64 PHE HD1 H 1 7.3000 0.02 . 3 . . . . 64 PHE HD1 . 25925 1 765 . 1 1 64 64 PHE HD2 H 1 7.3000 0.02 . 3 . . . . 64 PHE HD2 . 25925 1 766 . 1 1 64 64 PHE HE1 H 1 7.2000 0.02 . 3 . . . . 64 PHE HE1 . 25925 1 767 . 1 1 64 64 PHE HE2 H 1 7.2000 0.02 . 3 . . . . 64 PHE HE2 . 25925 1 768 . 1 1 64 64 PHE C C 13 174.0900 0.3 . 1 . . . . 64 PHE C . 25925 1 769 . 1 1 64 64 PHE CA C 13 56.3400 0.3 . 1 . . . . 64 PHE CA . 25925 1 770 . 1 1 64 64 PHE CB C 13 38.2120 0.3 . 1 . . . . 64 PHE CB . 25925 1 771 . 1 1 64 64 PHE CD1 C 13 131.4000 0.3 . 3 . . . . 64 PHE CD1 . 25925 1 772 . 1 1 64 64 PHE CD2 C 13 131.4000 0.3 . 3 . . . . 64 PHE CD2 . 25925 1 773 . 1 1 64 64 PHE CE1 C 13 131.4000 0.3 . 3 . . . . 64 PHE CE1 . 25925 1 774 . 1 1 64 64 PHE CE2 C 13 131.4000 0.3 . 3 . . . . 64 PHE CE2 . 25925 1 775 . 1 1 64 64 PHE N N 15 119.5810 0.2 . 1 . . . . 64 PHE N . 25925 1 776 . 1 1 65 65 ARG H H 1 7.6700 0.02 . 1 . . . . 65 ARG H . 25925 1 777 . 1 1 65 65 ARG HA H 1 4.7340 0.02 . 1 . . . . 65 ARG HA . 25925 1 778 . 1 1 65 65 ARG HB2 H 1 1.1810 0.02 . 2 . . . . 65 ARG HB2 . 25925 1 779 . 1 1 65 65 ARG HB3 H 1 1.0910 0.02 . 2 . . . . 65 ARG HB3 . 25925 1 780 . 1 1 65 65 ARG HG2 H 1 1.3830 0.02 . 2 . . . . 65 ARG HG2 . 25925 1 781 . 1 1 65 65 ARG HG3 H 1 1.3180 0.02 . 2 . . . . 65 ARG HG3 . 25925 1 782 . 1 1 65 65 ARG HD2 H 1 3.2200 0.02 . 2 . . . . 65 ARG HD2 . 25925 1 783 . 1 1 65 65 ARG HD3 H 1 3.0440 0.02 . 2 . . . . 65 ARG HD3 . 25925 1 784 . 1 1 65 65 ARG HE H 1 7.8520 0.02 . 1 . . . . 65 ARG HE . 25925 1 785 . 1 1 65 65 ARG C C 13 173.0100 0.3 . 1 . . . . 65 ARG C . 25925 1 786 . 1 1 65 65 ARG CA C 13 50.8750 0.3 . 1 . . . . 65 ARG CA . 25925 1 787 . 1 1 65 65 ARG CB C 13 29.6880 0.3 . 1 . . . . 65 ARG CB . 25925 1 788 . 1 1 65 65 ARG CG C 13 26.1000 0.3 . 1 . . . . 65 ARG CG . 25925 1 789 . 1 1 65 65 ARG CD C 13 42.0700 0.3 . 1 . . . . 65 ARG CD . 25925 1 790 . 1 1 65 65 ARG N N 15 127.7070 0.2 . 1 . . . . 65 ARG N . 25925 1 791 . 1 1 65 65 ARG NE N 15 84.5130 0.2 . 1 . . . . 65 ARG NE . 25925 1 792 . 1 1 66 66 PRO HA H 1 3.7710 0.02 . 1 . . . . 66 PRO HA . 25925 1 793 . 1 1 66 66 PRO HB2 H 1 2.0350 0.02 . 2 . . . . 66 PRO HB2 . 25925 1 794 . 1 1 66 66 PRO HB3 H 1 1.8790 0.02 . 2 . . . . 66 PRO HB3 . 25925 1 795 . 1 1 66 66 PRO HG2 H 1 1.7850 0.02 . 2 . . . . 66 PRO HG2 . 25925 1 796 . 1 1 66 66 PRO HG3 H 1 1.5750 0.02 . 2 . . . . 66 PRO HG3 . 25925 1 797 . 1 1 66 66 PRO HD2 H 1 3.4610 0.02 . 2 . . . . 66 PRO HD2 . 25925 1 798 . 1 1 66 66 PRO HD3 H 1 1.4270 0.02 . 2 . . . . 66 PRO HD3 . 25925 1 799 . 1 1 66 66 PRO C C 13 177.8200 0.3 . 1 . . . . 66 PRO C . 25925 1 800 . 1 1 66 66 PRO CA C 13 64.6500 0.3 . 1 . . . . 66 PRO CA . 25925 1 801 . 1 1 66 66 PRO CB C 13 31.1710 0.3 . 1 . . . . 66 PRO CB . 25925 1 802 . 1 1 66 66 PRO CG C 13 26.7300 0.3 . 1 . . . . 66 PRO CG . 25925 1 803 . 1 1 66 66 PRO CD C 13 49.5900 0.3 . 1 . . . . 66 PRO CD . 25925 1 804 . 1 1 67 67 ASP H H 1 8.7890 0.02 . 1 . . . . 67 ASP H . 25925 1 805 . 1 1 67 67 ASP HA H 1 4.1070 0.02 . 1 . . . . 67 ASP HA . 25925 1 806 . 1 1 67 67 ASP HB2 H 1 2.6070 0.02 . 2 . . . . 67 ASP HB2 . 25925 1 807 . 1 1 67 67 ASP HB3 H 1 2.3740 0.02 . 2 . . . . 67 ASP HB3 . 25925 1 808 . 1 1 67 67 ASP C C 13 178.5000 0.3 . 1 . . . . 67 ASP C . 25925 1 809 . 1 1 67 67 ASP CA C 13 56.2140 0.3 . 1 . . . . 67 ASP CA . 25925 1 810 . 1 1 67 67 ASP CB C 13 38.4870 0.3 . 1 . . . . 67 ASP CB . 25925 1 811 . 1 1 67 67 ASP N N 15 116.3760 0.2 . 1 . . . . 67 ASP N . 25925 1 812 . 1 1 68 68 ARG H H 1 6.7020 0.02 . 1 . . . . 68 ARG H . 25925 1 813 . 1 1 68 68 ARG HA H 1 3.5780 0.02 . 1 . . . . 68 ARG HA . 25925 1 814 . 1 1 68 68 ARG HB2 H 1 0.8400 0.02 . 2 . . . . 68 ARG HB2 . 25925 1 815 . 1 1 68 68 ARG HB3 H 1 0.4340 0.02 . 2 . . . . 68 ARG HB3 . 25925 1 816 . 1 1 68 68 ARG HG2 H 1 0.2890 0.02 . 2 . . . . 68 ARG HG2 . 25925 1 817 . 1 1 68 68 ARG HG3 H 1 -0.3050 0.02 . 2 . . . . 68 ARG HG3 . 25925 1 818 . 1 1 68 68 ARG HD2 H 1 2.6860 0.02 . 2 . . . . 68 ARG HD2 . 25925 1 819 . 1 1 68 68 ARG HD3 H 1 2.5730 0.02 . 2 . . . . 68 ARG HD3 . 25925 1 820 . 1 1 68 68 ARG HE H 1 7.1010 0.02 . 1 . . . . 68 ARG HE . 25925 1 821 . 1 1 68 68 ARG C C 13 178.4700 0.3 . 1 . . . . 68 ARG C . 25925 1 822 . 1 1 68 68 ARG CA C 13 55.9770 0.3 . 1 . . . . 68 ARG CA . 25925 1 823 . 1 1 68 68 ARG CB C 13 26.0540 0.3 . 1 . . . . 68 ARG CB . 25925 1 824 . 1 1 68 68 ARG CG C 13 26.0000 0.3 . 1 . . . . 68 ARG CG . 25925 1 825 . 1 1 68 68 ARG CD C 13 40.3200 0.3 . 1 . . . . 68 ARG CD . 25925 1 826 . 1 1 68 68 ARG N N 15 120.6250 0.2 . 1 . . . . 68 ARG N . 25925 1 827 . 1 1 68 68 ARG NE N 15 83.1830 0.2 . 1 . . . . 68 ARG NE . 25925 1 828 . 1 1 69 69 ILE H H 1 7.3010 0.02 . 1 . . . . 69 ILE H . 25925 1 829 . 1 1 69 69 ILE HA H 1 3.5440 0.02 . 1 . . . . 69 ILE HA . 25925 1 830 . 1 1 69 69 ILE HB H 1 1.7630 0.02 . 1 . . . . 69 ILE HB . 25925 1 831 . 1 1 69 69 ILE HG12 H 1 2.0160 0.02 . 2 . . . . 69 ILE HG12 . 25925 1 832 . 1 1 69 69 ILE HG13 H 1 1.0200 0.02 . 2 . . . . 69 ILE HG13 . 25925 1 833 . 1 1 69 69 ILE HG21 H 1 0.8390 0.02 . 1 . . . . 69 ILE HG21 . 25925 1 834 . 1 1 69 69 ILE HG22 H 1 0.8390 0.02 . 1 . . . . 69 ILE HG21 . 25925 1 835 . 1 1 69 69 ILE HG23 H 1 0.8390 0.02 . 1 . . . . 69 ILE HG21 . 25925 1 836 . 1 1 69 69 ILE HD11 H 1 1.1130 0.02 . 1 . . . . 69 ILE HD11 . 25925 1 837 . 1 1 69 69 ILE HD12 H 1 1.1130 0.02 . 1 . . . . 69 ILE HD11 . 25925 1 838 . 1 1 69 69 ILE HD13 H 1 1.1130 0.02 . 1 . . . . 69 ILE HD11 . 25925 1 839 . 1 1 69 69 ILE C C 13 177.2400 0.3 . 1 . . . . 69 ILE C . 25925 1 840 . 1 1 69 69 ILE CA C 13 65.3270 0.3 . 1 . . . . 69 ILE CA . 25925 1 841 . 1 1 69 69 ILE CB C 13 38.4630 0.3 . 1 . . . . 69 ILE CB . 25925 1 842 . 1 1 69 69 ILE CG1 C 13 29.9800 0.3 . 1 . . . . 69 ILE CG1 . 25925 1 843 . 1 1 69 69 ILE CG2 C 13 16.5000 0.3 . 1 . . . . 69 ILE CG2 . 25925 1 844 . 1 1 69 69 ILE CD1 C 13 15.0000 0.3 . 1 . . . . 69 ILE CD1 . 25925 1 845 . 1 1 69 69 ILE N N 15 119.1180 0.2 . 1 . . . . 69 ILE N . 25925 1 846 . 1 1 70 70 LYS H H 1 7.7700 0.02 . 1 . . . . 70 LYS H . 25925 1 847 . 1 1 70 70 LYS HA H 1 3.9690 0.02 . 1 . . . . 70 LYS HA . 25925 1 848 . 1 1 70 70 LYS HB2 H 1 1.7960 0.02 . 2 . . . . 70 LYS HB2 . 25925 1 849 . 1 1 70 70 LYS HB3 H 1 1.7960 0.02 . 2 . . . . 70 LYS HB3 . 25925 1 850 . 1 1 70 70 LYS HG2 H 1 1.4680 0.02 . 2 . . . . 70 LYS HG2 . 25925 1 851 . 1 1 70 70 LYS HG3 H 1 1.3930 0.02 . 2 . . . . 70 LYS HG3 . 25925 1 852 . 1 1 70 70 LYS HD2 H 1 1.6220 0.02 . 2 . . . . 70 LYS HD2 . 25925 1 853 . 1 1 70 70 LYS HD3 H 1 1.6220 0.02 . 2 . . . . 70 LYS HD3 . 25925 1 854 . 1 1 70 70 LYS HE2 H 1 2.9260 0.02 . 2 . . . . 70 LYS HE2 . 25925 1 855 . 1 1 70 70 LYS HE3 H 1 2.9260 0.02 . 2 . . . . 70 LYS HE3 . 25925 1 856 . 1 1 70 70 LYS C C 13 178.6200 0.3 . 1 . . . . 70 LYS C . 25925 1 857 . 1 1 70 70 LYS CA C 13 59.3160 0.3 . 1 . . . . 70 LYS CA . 25925 1 858 . 1 1 70 70 LYS CB C 13 32.2850 0.3 . 1 . . . . 70 LYS CB . 25925 1 859 . 1 1 70 70 LYS CG C 13 25.2700 0.3 . 1 . . . . 70 LYS CG . 25925 1 860 . 1 1 70 70 LYS CD C 13 29.2500 0.3 . 1 . . . . 70 LYS CD . 25925 1 861 . 1 1 70 70 LYS CE C 13 42.0500 0.3 . 1 . . . . 70 LYS CE . 25925 1 862 . 1 1 70 70 LYS N N 15 118.2430 0.2 . 1 . . . . 70 LYS N . 25925 1 863 . 1 1 71 71 ALA H H 1 7.1240 0.02 . 1 . . . . 71 ALA H . 25925 1 864 . 1 1 71 71 ALA HA H 1 4.1910 0.02 . 1 . . . . 71 ALA HA . 25925 1 865 . 1 1 71 71 ALA HB1 H 1 1.4030 0.02 . 1 . . . . 71 ALA HB1 . 25925 1 866 . 1 1 71 71 ALA HB2 H 1 1.4030 0.02 . 1 . . . . 71 ALA HB1 . 25925 1 867 . 1 1 71 71 ALA HB3 H 1 1.4030 0.02 . 1 . . . . 71 ALA HB1 . 25925 1 868 . 1 1 71 71 ALA C C 13 179.3400 0.3 . 1 . . . . 71 ALA C . 25925 1 869 . 1 1 71 71 ALA CA C 13 53.7120 0.3 . 1 . . . . 71 ALA CA . 25925 1 870 . 1 1 71 71 ALA CB C 13 18.4290 0.3 . 1 . . . . 71 ALA CB . 25925 1 871 . 1 1 71 71 ALA N N 15 119.4880 0.2 . 1 . . . . 71 ALA N . 25925 1 872 . 1 1 72 72 LEU H H 1 7.5940 0.02 . 1 . . . . 72 LEU H . 25925 1 873 . 1 1 72 72 LEU HA H 1 4.2220 0.02 . 1 . . . . 72 LEU HA . 25925 1 874 . 1 1 72 72 LEU HB2 H 1 1.6950 0.02 . 2 . . . . 72 LEU HB2 . 25925 1 875 . 1 1 72 72 LEU HB3 H 1 2.0570 0.02 . 2 . . . . 72 LEU HB3 . 25925 1 876 . 1 1 72 72 LEU HG H 1 2.0840 0.02 . 1 . . . . 72 LEU HG . 25925 1 877 . 1 1 72 72 LEU HD11 H 1 1.0000 0.02 . 2 . . . . 72 LEU HD11 . 25925 1 878 . 1 1 72 72 LEU HD12 H 1 1.0000 0.02 . 2 . . . . 72 LEU HD11 . 25925 1 879 . 1 1 72 72 LEU HD13 H 1 1.0000 0.02 . 2 . . . . 72 LEU HD11 . 25925 1 880 . 1 1 72 72 LEU HD21 H 1 1.0570 0.02 . 2 . . . . 72 LEU HD21 . 25925 1 881 . 1 1 72 72 LEU HD22 H 1 1.0570 0.02 . 2 . . . . 72 LEU HD21 . 25925 1 882 . 1 1 72 72 LEU HD23 H 1 1.0570 0.02 . 2 . . . . 72 LEU HD21 . 25925 1 883 . 1 1 72 72 LEU C C 13 178.1000 0.3 . 1 . . . . 72 LEU C . 25925 1 884 . 1 1 72 72 LEU CA C 13 56.6250 0.3 . 1 . . . . 72 LEU CA . 25925 1 885 . 1 1 72 72 LEU CB C 13 42.1210 0.3 . 1 . . . . 72 LEU CB . 25925 1 886 . 1 1 72 72 LEU CG C 13 26.1400 0.3 . 1 . . . . 72 LEU CG . 25925 1 887 . 1 1 72 72 LEU CD1 C 13 23.5600 0.3 . 2 . . . . 72 LEU CD1 . 25925 1 888 . 1 1 72 72 LEU CD2 C 13 25.6800 0.3 . 2 . . . . 72 LEU CD2 . 25925 1 889 . 1 1 72 72 LEU N N 15 119.1810 0.2 . 1 . . . . 72 LEU N . 25925 1 890 . 1 1 73 73 ALA H H 1 7.7760 0.02 . 1 . . . . 73 ALA H . 25925 1 891 . 1 1 73 73 ALA HA H 1 4.2420 0.02 . 1 . . . . 73 ALA HA . 25925 1 892 . 1 1 73 73 ALA HB1 H 1 1.5160 0.02 . 1 . . . . 73 ALA HB1 . 25925 1 893 . 1 1 73 73 ALA HB2 H 1 1.5160 0.02 . 1 . . . . 73 ALA HB1 . 25925 1 894 . 1 1 73 73 ALA HB3 H 1 1.5160 0.02 . 1 . . . . 73 ALA HB1 . 25925 1 895 . 1 1 73 73 ALA C C 13 178.5900 0.3 . 1 . . . . 73 ALA C . 25925 1 896 . 1 1 73 73 ALA CA C 13 53.5120 0.3 . 1 . . . . 73 ALA CA . 25925 1 897 . 1 1 73 73 ALA CB C 13 19.1720 0.3 . 1 . . . . 73 ALA CB . 25925 1 898 . 1 1 73 73 ALA N N 15 121.2220 0.2 . 1 . . . . 73 ALA N . 25925 1 899 . 1 1 74 74 GLY H H 1 8.0920 0.02 . 1 . . . . 74 GLY H . 25925 1 900 . 1 1 74 74 GLY HA2 H 1 3.9730 0.02 . 2 . . . . 74 GLY HA2 . 25925 1 901 . 1 1 74 74 GLY HA3 H 1 3.9730 0.02 . 2 . . . . 74 GLY HA3 . 25925 1 902 . 1 1 74 74 GLY C C 13 174.7500 0.3 . 1 . . . . 74 GLY C . 25925 1 903 . 1 1 74 74 GLY CA C 13 45.8840 0.3 . 1 . . . . 74 GLY CA . 25925 1 904 . 1 1 74 74 GLY N N 15 106.6180 0.2 . 1 . . . . 74 GLY N . 25925 1 905 . 1 1 75 75 ALA H H 1 7.9970 0.02 . 1 . . . . 75 ALA H . 25925 1 906 . 1 1 75 75 ALA HA H 1 4.3080 0.02 . 1 . . . . 75 ALA HA . 25925 1 907 . 1 1 75 75 ALA HB1 H 1 1.4580 0.02 . 1 . . . . 75 ALA HB1 . 25925 1 908 . 1 1 75 75 ALA HB2 H 1 1.4580 0.02 . 1 . . . . 75 ALA HB1 . 25925 1 909 . 1 1 75 75 ALA HB3 H 1 1.4580 0.02 . 1 . . . . 75 ALA HB1 . 25925 1 910 . 1 1 75 75 ALA C C 13 178.2400 0.3 . 1 . . . . 75 ALA C . 25925 1 911 . 1 1 75 75 ALA CA C 13 53.1760 0.3 . 1 . . . . 75 ALA CA . 25925 1 912 . 1 1 75 75 ALA CB C 13 19.0810 0.3 . 1 . . . . 75 ALA CB . 25925 1 913 . 1 1 75 75 ALA N N 15 123.9920 0.2 . 1 . . . . 75 ALA N . 25925 1 914 . 1 1 76 76 ALA H H 1 8.1810 0.02 . 1 . . . . 76 ALA H . 25925 1 915 . 1 1 76 76 ALA HA H 1 4.3040 0.02 . 1 . . . . 76 ALA HA . 25925 1 916 . 1 1 76 76 ALA HB1 H 1 1.4490 0.02 . 1 . . . . 76 ALA HB1 . 25925 1 917 . 1 1 76 76 ALA HB2 H 1 1.4490 0.02 . 1 . . . . 76 ALA HB1 . 25925 1 918 . 1 1 76 76 ALA HB3 H 1 1.4490 0.02 . 1 . . . . 76 ALA HB1 . 25925 1 919 . 1 1 76 76 ALA C C 13 178.5500 0.3 . 1 . . . . 76 ALA C . 25925 1 920 . 1 1 76 76 ALA CA C 13 53.2550 0.3 . 1 . . . . 76 ALA CA . 25925 1 921 . 1 1 76 76 ALA CB C 13 18.8800 0.3 . 1 . . . . 76 ALA CB . 25925 1 922 . 1 1 76 76 ALA N N 15 122.2060 0.2 . 1 . . . . 76 ALA N . 25925 1 923 . 1 1 77 77 LEU H H 1 8.0760 0.02 . 1 . . . . 77 LEU H . 25925 1 924 . 1 1 77 77 LEU HA H 1 4.3450 0.02 . 1 . . . . 77 LEU HA . 25925 1 925 . 1 1 77 77 LEU HB2 H 1 1.6460 0.02 . 2 . . . . 77 LEU HB2 . 25925 1 926 . 1 1 77 77 LEU HB3 H 1 1.7450 0.02 . 2 . . . . 77 LEU HB3 . 25925 1 927 . 1 1 77 77 LEU HG H 1 1.6830 0.02 . 1 . . . . 77 LEU HG . 25925 1 928 . 1 1 77 77 LEU HD11 H 1 0.8840 0.02 . 2 . . . . 77 LEU HD11 . 25925 1 929 . 1 1 77 77 LEU HD12 H 1 0.8840 0.02 . 2 . . . . 77 LEU HD11 . 25925 1 930 . 1 1 77 77 LEU HD13 H 1 0.8840 0.02 . 2 . . . . 77 LEU HD11 . 25925 1 931 . 1 1 77 77 LEU HD21 H 1 0.9450 0.02 . 2 . . . . 77 LEU HD21 . 25925 1 932 . 1 1 77 77 LEU HD22 H 1 0.9450 0.02 . 2 . . . . 77 LEU HD21 . 25925 1 933 . 1 1 77 77 LEU HD23 H 1 0.9450 0.02 . 2 . . . . 77 LEU HD21 . 25925 1 934 . 1 1 77 77 LEU C C 13 178.3300 0.3 . 1 . . . . 77 LEU C . 25925 1 935 . 1 1 77 77 LEU CA C 13 55.9780 0.3 . 1 . . . . 77 LEU CA . 25925 1 936 . 1 1 77 77 LEU CB C 13 42.0900 0.3 . 1 . . . . 77 LEU CB . 25925 1 937 . 1 1 77 77 LEU CG C 13 26.9700 0.3 . 1 . . . . 77 LEU CG . 25925 1 938 . 1 1 77 77 LEU CD1 C 13 23.6400 0.3 . 2 . . . . 77 LEU CD1 . 25925 1 939 . 1 1 77 77 LEU CD2 C 13 24.9800 0.3 . 2 . . . . 77 LEU CD2 . 25925 1 940 . 1 1 77 77 LEU N N 15 120.0640 0.2 . 1 . . . . 77 LEU N . 25925 1 941 . 1 1 78 78 THR H H 1 7.9810 0.02 . 1 . . . . 78 THR H . 25925 1 942 . 1 1 78 78 THR HA H 1 4.2520 0.02 . 1 . . . . 78 THR HA . 25925 1 943 . 1 1 78 78 THR HB H 1 4.2600 0.02 . 1 . . . . 78 THR HB . 25925 1 944 . 1 1 78 78 THR HG21 H 1 1.2230 0.02 . 1 . . . . 78 THR HG21 . 25925 1 945 . 1 1 78 78 THR HG22 H 1 1.2230 0.02 . 1 . . . . 78 THR HG21 . 25925 1 946 . 1 1 78 78 THR HG23 H 1 1.2230 0.02 . 1 . . . . 78 THR HG21 . 25925 1 947 . 1 1 78 78 THR C C 13 174.9100 0.3 . 1 . . . . 78 THR C . 25925 1 948 . 1 1 78 78 THR CA C 13 62.8610 0.3 . 1 . . . . 78 THR CA . 25925 1 949 . 1 1 78 78 THR CB C 13 69.5860 0.3 . 1 . . . . 78 THR CB . 25925 1 950 . 1 1 78 78 THR CG2 C 13 21.5800 0.3 . 1 . . . . 78 THR CG2 . 25925 1 951 . 1 1 78 78 THR N N 15 113.8360 0.2 . 1 . . . . 78 THR N . 25925 1 952 . 1 1 79 79 ALA H H 1 8.1100 0.02 . 1 . . . . 79 ALA H . 25925 1 953 . 1 1 79 79 ALA HA H 1 4.2960 0.02 . 1 . . . . 79 ALA HA . 25925 1 954 . 1 1 79 79 ALA HB1 H 1 1.4220 0.02 . 1 . . . . 79 ALA HB1 . 25925 1 955 . 1 1 79 79 ALA HB2 H 1 1.4220 0.02 . 1 . . . . 79 ALA HB1 . 25925 1 956 . 1 1 79 79 ALA HB3 H 1 1.4220 0.02 . 1 . . . . 79 ALA HB1 . 25925 1 957 . 1 1 79 79 ALA C C 13 178.0500 0.3 . 1 . . . . 79 ALA C . 25925 1 958 . 1 1 79 79 ALA CA C 13 53.1630 0.3 . 1 . . . . 79 ALA CA . 25925 1 959 . 1 1 79 79 ALA CB C 13 19.0230 0.3 . 1 . . . . 79 ALA CB . 25925 1 960 . 1 1 79 79 ALA N N 15 125.3130 0.2 . 1 . . . . 79 ALA N . 25925 1 961 . 1 1 80 80 LEU H H 1 7.9980 0.02 . 1 . . . . 80 LEU H . 25925 1 962 . 1 1 80 80 LEU HA H 1 4.2480 0.02 . 1 . . . . 80 LEU HA . 25925 1 963 . 1 1 80 80 LEU HB2 H 1 1.5510 0.02 . 2 . . . . 80 LEU HB2 . 25925 1 964 . 1 1 80 80 LEU HB3 H 1 1.6380 0.02 . 2 . . . . 80 LEU HB3 . 25925 1 965 . 1 1 80 80 LEU HG H 1 1.6500 0.02 . 1 . . . . 80 LEU HG . 25925 1 966 . 1 1 80 80 LEU HD11 H 1 0.8510 0.02 . 2 . . . . 80 LEU HD11 . 25925 1 967 . 1 1 80 80 LEU HD12 H 1 0.8510 0.02 . 2 . . . . 80 LEU HD11 . 25925 1 968 . 1 1 80 80 LEU HD13 H 1 0.8510 0.02 . 2 . . . . 80 LEU HD11 . 25925 1 969 . 1 1 80 80 LEU HD21 H 1 0.9130 0.02 . 2 . . . . 80 LEU HD21 . 25925 1 970 . 1 1 80 80 LEU HD22 H 1 0.9130 0.02 . 2 . . . . 80 LEU HD21 . 25925 1 971 . 1 1 80 80 LEU HD23 H 1 0.9130 0.02 . 2 . . . . 80 LEU HD21 . 25925 1 972 . 1 1 80 80 LEU C C 13 177.6900 0.3 . 1 . . . . 80 LEU C . 25925 1 973 . 1 1 80 80 LEU CA C 13 55.6510 0.3 . 1 . . . . 80 LEU CA . 25925 1 974 . 1 1 80 80 LEU CB C 13 42.3690 0.3 . 1 . . . . 80 LEU CB . 25925 1 975 . 1 1 80 80 LEU CG C 13 27.0000 0.3 . 1 . . . . 80 LEU CG . 25925 1 976 . 1 1 80 80 LEU CD1 C 13 23.6600 0.3 . 2 . . . . 80 LEU CD1 . 25925 1 977 . 1 1 80 80 LEU CD2 C 13 24.7400 0.3 . 2 . . . . 80 LEU CD2 . 25925 1 978 . 1 1 80 80 LEU N N 15 120.3790 0.2 . 1 . . . . 80 LEU N . 25925 1 979 . 1 1 81 81 GLU H H 1 8.1330 0.02 . 1 . . . . 81 GLU H . 25925 1 980 . 1 1 81 81 GLU HA H 1 4.1800 0.02 . 1 . . . . 81 GLU HA . 25925 1 981 . 1 1 81 81 GLU HB2 H 1 1.9120 0.02 . 2 . . . . 81 GLU HB2 . 25925 1 982 . 1 1 81 81 GLU HB3 H 1 1.9120 0.02 . 2 . . . . 81 GLU HB3 . 25925 1 983 . 1 1 81 81 GLU HG2 H 1 2.2290 0.02 . 2 . . . . 81 GLU HG2 . 25925 1 984 . 1 1 81 81 GLU HG3 H 1 2.1550 0.02 . 2 . . . . 81 GLU HG3 . 25925 1 985 . 1 1 81 81 GLU C C 13 176.4000 0.3 . 1 . . . . 81 GLU C . 25925 1 986 . 1 1 81 81 GLU CA C 13 56.6680 0.3 . 1 . . . . 81 GLU CA . 25925 1 987 . 1 1 81 81 GLU CB C 13 30.2970 0.3 . 1 . . . . 81 GLU CB . 25925 1 988 . 1 1 81 81 GLU CG C 13 36.1000 0.3 . 1 . . . . 81 GLU CG . 25925 1 989 . 1 1 81 81 GLU N N 15 120.5200 0.2 . 1 . . . . 81 GLU N . 25925 1 990 . 1 1 82 82 HIS H H 1 8.3120 0.02 . 1 . . . . 82 HIS H . 25925 1 991 . 1 1 82 82 HIS HA H 1 4.6070 0.02 . 1 . . . . 82 HIS HA . 25925 1 992 . 1 1 82 82 HIS HB2 H 1 3.1390 0.02 . 2 . . . . 82 HIS HB2 . 25925 1 993 . 1 1 82 82 HIS HB3 H 1 3.0550 0.02 . 2 . . . . 82 HIS HB3 . 25925 1 994 . 1 1 82 82 HIS C C 13 174.6750 0.3 . 1 . . . . 82 HIS C . 25925 1 995 . 1 1 82 82 HIS CA C 13 55.5880 0.3 . 1 . . . . 82 HIS CA . 25925 1 996 . 1 1 82 82 HIS CB C 13 29.4020 0.3 . 1 . . . . 82 HIS CB . 25925 1 997 . 1 1 82 82 HIS N N 15 119.2600 0.2 . 1 . . . . 82 HIS N . 25925 1 998 . 1 1 83 83 HIS H H 1 8.4370 0.02 . 1 . . . . 83 HIS H . 25925 1 999 . 1 1 83 83 HIS HA H 1 4.6100 0.02 . 1 . . . . 83 HIS HA . 25925 1 1000 . 1 1 83 83 HIS HB2 H 1 3.1130 0.02 . 2 . . . . 83 HIS HB2 . 25925 1 1001 . 1 1 83 83 HIS HB3 H 1 3.1130 0.02 . 2 . . . . 83 HIS HB3 . 25925 1 1002 . 1 1 83 83 HIS C C 13 174.5800 0.3 . 1 . . . . 83 HIS C . 25925 1 1003 . 1 1 83 83 HIS CA C 13 55.6390 0.3 . 1 . . . . 83 HIS CA . 25925 1 1004 . 1 1 83 83 HIS CB C 13 29.3910 0.3 . 1 . . . . 83 HIS CB . 25925 1 1005 . 1 1 83 83 HIS N N 15 119.7500 0.2 . 1 . . . . 83 HIS N . 25925 1 1006 . 1 1 86 86 HIS HA H 1 4.6320 0.02 . 1 . . . . 86 HIS HA . 25925 1 1007 . 1 1 86 86 HIS HB2 H 1 3.1800 0.02 . 2 . . . . 86 HIS HB2 . 25925 1 1008 . 1 1 86 86 HIS HB3 H 1 3.1800 0.02 . 2 . . . . 86 HIS HB3 . 25925 1 1009 . 1 1 86 86 HIS C C 13 173.7400 0.3 . 1 . . . . 86 HIS C . 25925 1 1010 . 1 1 86 86 HIS CA C 13 55.6900 0.3 . 1 . . . . 86 HIS CA . 25925 1 1011 . 1 1 86 86 HIS CB C 13 29.6200 0.3 . 1 . . . . 86 HIS CB . 25925 1 1012 . 1 1 87 87 HIS H H 1 8.2740 0.02 . 1 . . . . 87 HIS H . 25925 1 1013 . 1 1 87 87 HIS HA H 1 4.4420 0.02 . 1 . . . . 87 HIS HA . 25925 1 1014 . 1 1 87 87 HIS HB2 H 1 3.2190 0.02 . 2 . . . . 87 HIS HB2 . 25925 1 1015 . 1 1 87 87 HIS HB3 H 1 3.0920 0.02 . 2 . . . . 87 HIS HB3 . 25925 1 1016 . 1 1 87 87 HIS C C 13 178.9900 0.3 . 1 . . . . 87 HIS C . 25925 1 1017 . 1 1 87 87 HIS CA C 13 57.2560 0.3 . 1 . . . . 87 HIS CA . 25925 1 1018 . 1 1 87 87 HIS CB C 13 29.7410 0.3 . 1 . . . . 87 HIS CB . 25925 1 1019 . 1 1 87 87 HIS N N 15 125.3710 0.2 . 1 . . . . 87 HIS N . 25925 1 stop_ save_