data_34106 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34106 _Entry.Title ; NMR solution structure of ubl5 domain from polyubiquitin locus of T.thermophila. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-27 _Entry.Accession_date 2017-02-27 _Entry.Last_release_date 2018-03-14 _Entry.Original_release_date 2018-03-14 _Entry.Origination author _Entry.Format_name . _Entry.NMR_STAR_version 3.2.1.32 _Entry.NMR_STAR_dict_location . _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Source_data_format . _Entry.Source_data_format_version . _Entry.Generated_software_name . _Entry.Generated_software_version . _Entry.Generated_software_ID . _Entry.Generated_software_label . _Entry.Generated_date . _Entry.DOI . _Entry.UUID . _Entry.Related_coordinate_file_name . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_experimental_methods.ID _Entry_experimental_methods.Method _Entry_experimental_methods.Subtype _Entry_experimental_methods.Entry_ID 1 'SOLUTION NMR' 'SOLUTION NMR' 34106 stop_ 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 V. Chiarini V. . . . 34106 2 H. Tossavainen H. . . . 34106 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID ULD . 34106 beta-grasp . 34106 polyubiquitin . 34106 transferase . 34106 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 34106 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 391 34106 '15N chemical shifts' 89 34106 '1H chemical shifts' 617 34106 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 . . 2019-08-26 2017-02-27 update BMRB 'update entry citation' 34106 1 . . 2018-03-16 2017-02-27 original author 'original release' 34106 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5N9V . 34106 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34106 _Citation.ID 1 _Citation.Name . _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 30690122 _Citation.Full_citation . _Citation.Title ; NMR structure of a non-conjugatable, ADP-ribosylation associated, ubiquitin-like domain from Tetrahymena thermophila polyubiquitin locus ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta Gen. Subj.' _Citation.Journal_name_full 'Biochimica et biophysica acta. General subjects' _Citation.Journal_volume 1863 _Citation.Journal_issue 4 _Citation.Journal_ASTM . _Citation.Journal_ISSN 1872-8006 _Citation.Journal_CSD 0353 _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 749 _Citation.Page_last 759 _Citation.Year 2019 _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 Valerio Chiarini V. . . . 34106 1 2 Helena Tossavainen H. . . . 34106 1 3 Vivek Sharma V. . . . 34106 1 4 Gianni Colotti G. . . . 34106 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34106 _Assembly.ID 1 _Assembly.Name 'NAD(P)(+)--arginine ADP-ribosyltransferase (E.C.2.4.2.31)' _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 entity_1 1 $entity_1 A A yes . . . . . . 34106 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34106 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity_1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SHMQVSIEFQNGEKLKFNVQ PSHKILDIKEMIFKKTNINV KDQSLKFAGNEMINQKTLSD YSIIDSTEEFTLHLETKLDL M ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 81 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number 2.4.2.31 _Entity.Calc_isoelectric_point . _Entity.Formula_weight 9457.851 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID Mono(ADP-ribosyl)transferase na 34106 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . SER . 34106 1 2 . HIS . 34106 1 3 . MET . 34106 1 4 . GLN . 34106 1 5 . VAL . 34106 1 6 . SER . 34106 1 7 . ILE . 34106 1 8 . GLU . 34106 1 9 . PHE . 34106 1 10 . GLN . 34106 1 11 . ASN . 34106 1 12 . GLY . 34106 1 13 . GLU . 34106 1 14 . LYS . 34106 1 15 . LEU . 34106 1 16 . LYS . 34106 1 17 . PHE . 34106 1 18 . ASN . 34106 1 19 . VAL . 34106 1 20 . GLN . 34106 1 21 . PRO . 34106 1 22 . SER . 34106 1 23 . HIS . 34106 1 24 . LYS . 34106 1 25 . ILE . 34106 1 26 . LEU . 34106 1 27 . ASP . 34106 1 28 . ILE . 34106 1 29 . LYS . 34106 1 30 . GLU . 34106 1 31 . MET . 34106 1 32 . ILE . 34106 1 33 . PHE . 34106 1 34 . LYS . 34106 1 35 . LYS . 34106 1 36 . THR . 34106 1 37 . ASN . 34106 1 38 . ILE . 34106 1 39 . ASN . 34106 1 40 . VAL . 34106 1 41 . LYS . 34106 1 42 . ASP . 34106 1 43 . GLN . 34106 1 44 . SER . 34106 1 45 . LEU . 34106 1 46 . LYS . 34106 1 47 . PHE . 34106 1 48 . ALA . 34106 1 49 . GLY . 34106 1 50 . ASN . 34106 1 51 . GLU . 34106 1 52 . MET . 34106 1 53 . ILE . 34106 1 54 . ASN . 34106 1 55 . GLN . 34106 1 56 . LYS . 34106 1 57 . THR . 34106 1 58 . LEU . 34106 1 59 . SER . 34106 1 60 . ASP . 34106 1 61 . TYR . 34106 1 62 . SER . 34106 1 63 . ILE . 34106 1 64 . ILE . 34106 1 65 . ASP . 34106 1 66 . SER . 34106 1 67 . THR . 34106 1 68 . GLU . 34106 1 69 . GLU . 34106 1 70 . PHE . 34106 1 71 . THR . 34106 1 72 . LEU . 34106 1 73 . HIS . 34106 1 74 . LEU . 34106 1 75 . GLU . 34106 1 76 . THR . 34106 1 77 . LYS . 34106 1 78 . LEU . 34106 1 79 . ASP . 34106 1 80 . LEU . 34106 1 81 . MET . 34106 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 . SER 1 1 34106 1 . HIS 2 2 34106 1 . MET 3 3 34106 1 . GLN 4 4 34106 1 . VAL 5 5 34106 1 . SER 6 6 34106 1 . ILE 7 7 34106 1 . GLU 8 8 34106 1 . PHE 9 9 34106 1 . GLN 10 10 34106 1 . ASN 11 11 34106 1 . GLY 12 12 34106 1 . GLU 13 13 34106 1 . LYS 14 14 34106 1 . LEU 15 15 34106 1 . LYS 16 16 34106 1 . PHE 17 17 34106 1 . ASN 18 18 34106 1 . VAL 19 19 34106 1 . GLN 20 20 34106 1 . PRO 21 21 34106 1 . SER 22 22 34106 1 . HIS 23 23 34106 1 . LYS 24 24 34106 1 . ILE 25 25 34106 1 . LEU 26 26 34106 1 . ASP 27 27 34106 1 . ILE 28 28 34106 1 . LYS 29 29 34106 1 . GLU 30 30 34106 1 . MET 31 31 34106 1 . ILE 32 32 34106 1 . PHE 33 33 34106 1 . LYS 34 34 34106 1 . LYS 35 35 34106 1 . THR 36 36 34106 1 . ASN 37 37 34106 1 . ILE 38 38 34106 1 . ASN 39 39 34106 1 . VAL 40 40 34106 1 . LYS 41 41 34106 1 . ASP 42 42 34106 1 . GLN 43 43 34106 1 . SER 44 44 34106 1 . LEU 45 45 34106 1 . LYS 46 46 34106 1 . PHE 47 47 34106 1 . ALA 48 48 34106 1 . GLY 49 49 34106 1 . ASN 50 50 34106 1 . GLU 51 51 34106 1 . MET 52 52 34106 1 . ILE 53 53 34106 1 . ASN 54 54 34106 1 . GLN 55 55 34106 1 . LYS 56 56 34106 1 . THR 57 57 34106 1 . LEU 58 58 34106 1 . SER 59 59 34106 1 . ASP 60 60 34106 1 . TYR 61 61 34106 1 . SER 62 62 34106 1 . ILE 63 63 34106 1 . ILE 64 64 34106 1 . ASP 65 65 34106 1 . SER 66 66 34106 1 . THR 67 67 34106 1 . GLU 68 68 34106 1 . GLU 69 69 34106 1 . PHE 70 70 34106 1 . THR 71 71 34106 1 . LEU 72 72 34106 1 . HIS 73 73 34106 1 . LEU 74 74 34106 1 . GLU 75 75 34106 1 . THR 76 76 34106 1 . LYS 77 77 34106 1 . LEU 78 78 34106 1 . ASP 79 79 34106 1 . LEU 80 80 34106 1 . MET 81 81 34106 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 34106 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 312017 organism . 'Tetrahymena thermophila' 'Tetrahymena thermophila' . . Eukaryota . Tetrahymena thermophila SB210 . . . . . . . . . . TTHERM_00085190 . 34106 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 34106 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'recombinant technology' 'Escherichia coli' . . 562 Escherichia coli . . . . . . . . . . 34106 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34106 _Sample.ID 1 _Sample.Name . _Sample.Type solution _Sample.Sub_type . _Sample.Details '4 mM [U-13C; U-15N] T.thermophila BUBL1-ubl5, 20 mM sodium phosphate, 90% H2O/10% D2O' _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 'T.thermophila BUBL1-ubl5' '[U-13C; U-15N]' . . 1 $entity_1 . . 4 . . mM . . . . 34106 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 34106 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 34106 _Sample_condition_list.ID 1 _Sample_condition_list.Name . _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.06 . M 34106 1 pH 6 . pH 34106 1 pressure 1 . atm 34106 1 temperature 298 . K 34106 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34106 _Software.ID 1 _Software.Type . _Software.Name TOPSPIN _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34106 1 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . collection 34106 1 . processing 34106 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34106 _Software.ID 2 _Software.Type . _Software.Name CcpNMR _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 34106 2 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'data analysis' 34106 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34106 _Software.ID 3 _Software.Type . _Software.Name CYANA _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34106 3 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . 'structure calculation' 34106 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 34106 _Software.ID 4 _Software.Type . _Software.Name AMBER _Software.Version . _Software.DOI . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 34106 4 stop_ loop_ _Task.Software_module _Task.Task _Task.Entry_ID _Task.Software_ID . refinement 34106 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 34106 _NMR_spectrometer.ID 1 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 850 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34106 _NMR_spectrometer.ID 2 _NMR_spectrometer.Name . _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _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 34106 _NMR_spectrometer_list.ID 1 _NMR_spectrometer_list.Name . loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 850 . . . 34106 1 2 NMR_spectrometer_2 Bruker AvanceIII . 600 . . . 34106 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 34106 _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 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34106 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34106 1 3 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34106 1 4 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34106 1 5 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34106 1 6 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34106 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34106 1 8 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34106 1 9 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34106 1 10 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34106 1 11 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34106 1 12 '3D HCC(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34106 1 13 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34106 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 34106 _Chem_shift_reference.ID 1 _Chem_shift_reference.Name . _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 TMS 'methyl carbons' . . . . ppm 0 na indirect 0.25145020 . . . . . 34106 1 H 1 water protons . . . . ppm 4.64 internal direct 1 . . . . . 34106 1 N 15 'liquid anhydrous ammonia' nitrogen . . . . ppm 0 na indirect 0.10132912 . . . . . 34106 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1 _Assigned_chem_shift_list.Entry_ID 34106 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Name . _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 34106 1 2 '2D 1H-13C HSQC' . . . 34106 1 3 '3D 1H-15N TOCSY' . . . 34106 1 4 '3D 1H-15N NOESY' . . . 34106 1 5 '3D 1H-13C NOESY' . . . 34106 1 6 '3D HNCO' . . . 34106 1 7 '3D HNCACB' . . . 34106 1 8 '3D HNCA' . . . 34106 1 9 '3D CBCA(CO)NH' . . . 34106 1 10 '3D HN(CO)CA' . . . 34106 1 11 '3D HN(CA)CO' . . . 34106 1 12 '3D HCC(CO)NH' . . . 34106 1 13 '3D HCCH-COSY' . . . 34106 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.Ambiguity_set_ID _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 SER HA H 1 3.744 0.000 . . . . . . A 1 SER HA . 34106 1 2 . 1 1 1 1 SER HB2 H 1 3.743 0.000 . . . . . . A 1 SER HB2 . 34106 1 3 . 1 1 1 1 SER HB3 H 1 3.845 0.036 . . . . . . A 1 SER HB3 . 34106 1 4 . 1 1 1 1 SER C C 13 174.228 0.096 . . . . . . A 1 SER C . 34106 1 5 . 1 1 1 1 SER CA C 13 59.270 0.000 . . . . . . A 1 SER CA . 34106 1 6 . 1 1 1 1 SER CB C 13 63.068 0.003 . . . . . . A 1 SER CB . 34106 1 7 . 1 1 2 2 HIS HA H 1 4.062 0.000 . . . . . . A 2 HIS HA . 34106 1 8 . 1 1 2 2 HIS HB2 H 1 2.945 0.000 . . . . . . A 2 HIS HB2 . 34106 1 9 . 1 1 2 2 HIS HB3 H 1 3.063 0.000 . . . . . . A 2 HIS HB3 . 34106 1 10 . 1 1 2 2 HIS HD2 H 1 6.915 0.000 . . . . . . A 2 HIS HD2 . 34106 1 11 . 1 1 2 2 HIS HE1 H 1 7.966 0.000 . . . . . . A 2 HIS HE1 . 34106 1 12 . 1 1 2 2 HIS C C 13 174.434 0.000 . . . . . . A 2 HIS C . 34106 1 13 . 1 1 2 2 HIS CA C 13 53.824 0.000 . . . . . . A 2 HIS CA . 34106 1 14 . 1 1 2 2 HIS CB C 13 31.619 0.093 . . . . . . A 2 HIS CB . 34106 1 15 . 1 1 2 2 HIS CD2 C 13 119.103 0.000 . . . . . . A 2 HIS CD2 . 34106 1 16 . 1 1 2 2 HIS CE1 C 13 136.947 0.000 . . . . . . A 2 HIS CE1 . 34106 1 17 . 1 1 3 3 MET H H 1 8.726 0.007 . . . . . . A 3 MET H . 34106 1 18 . 1 1 3 3 MET HA H 1 4.572 0.009 . . . . . . A 3 MET HA . 34106 1 19 . 1 1 3 3 MET HB2 H 1 2.001 0.007 . . . . . . A 3 MET HB2 . 34106 1 20 . 1 1 3 3 MET HB3 H 1 1.852 0.010 . . . . . . A 3 MET HB3 . 34106 1 21 . 1 1 3 3 MET HG2 H 1 2.165 0.005 . . . . . . A 3 MET HG2 . 34106 1 22 . 1 1 3 3 MET HG3 H 1 2.335 0.008 . . . . . . A 3 MET HG3 . 34106 1 23 . 1 1 3 3 MET HE1 H 1 1.976 0.025 . . . . . . A 3 MET HE1 . 34106 1 24 . 1 1 3 3 MET HE2 H 1 1.976 0.025 . . . . . . A 3 MET HE2 . 34106 1 25 . 1 1 3 3 MET HE3 H 1 1.976 0.025 . . . . . . A 3 MET HE3 . 34106 1 26 . 1 1 3 3 MET C C 13 174.700 0.004 . . . . . . A 3 MET C . 34106 1 27 . 1 1 3 3 MET CA C 13 55.461 0.029 . . . . . . A 3 MET CA . 34106 1 28 . 1 1 3 3 MET CB C 13 34.279 0.061 . . . . . . A 3 MET CB . 34106 1 29 . 1 1 3 3 MET CG C 13 31.961 0.053 . . . . . . A 3 MET CG . 34106 1 30 . 1 1 3 3 MET CE C 13 16.946 0.026 . . . . . . A 3 MET CE . 34106 1 31 . 1 1 3 3 MET N N 15 121.430 0.043 . . . . . . A 3 MET N . 34106 1 32 . 1 1 4 4 GLN H H 1 8.703 0.005 . . . . . . A 4 GLN H . 34106 1 33 . 1 1 4 4 GLN HA H 1 5.318 0.003 . . . . . . A 4 GLN HA . 34106 1 34 . 1 1 4 4 GLN HB2 H 1 1.864 0.005 . . . . . . A 4 GLN HB2 . 34106 1 35 . 1 1 4 4 GLN HB3 H 1 1.864 0.005 . . . . . . A 4 GLN HB3 . 34106 1 36 . 1 1 4 4 GLN HG2 H 1 2.206 0.004 . . . . . . A 4 GLN HG2 . 34106 1 37 . 1 1 4 4 GLN HG3 H 1 2.205 0.003 . . . . . . A 4 GLN HG3 . 34106 1 38 . 1 1 4 4 GLN HE21 H 1 7.483 0.034 . . . . . . A 4 GLN HE21 . 34106 1 39 . 1 1 4 4 GLN HE22 H 1 6.723 0.004 . . . . . . A 4 GLN HE22 . 34106 1 40 . 1 1 4 4 GLN C C 13 175.234 0.001 . . . . . . A 4 GLN C . 34106 1 41 . 1 1 4 4 GLN CA C 13 54.920 0.084 . . . . . . A 4 GLN CA . 34106 1 42 . 1 1 4 4 GLN CB C 13 32.300 0.042 . . . . . . A 4 GLN CB . 34106 1 43 . 1 1 4 4 GLN CG C 13 34.620 0.094 . . . . . . A 4 GLN CG . 34106 1 44 . 1 1 4 4 GLN CD C 13 180.733 0.001 . . . . . . A 4 GLN CD . 34106 1 45 . 1 1 4 4 GLN N N 15 122.526 0.065 . . . . . . A 4 GLN N . 34106 1 46 . 1 1 4 4 GLN NE2 N 15 111.897 0.005 . . . . . . A 4 GLN NE2 . 34106 1 47 . 1 1 5 5 VAL H H 1 8.560 0.004 . . . . . . A 5 VAL H . 34106 1 48 . 1 1 5 5 VAL HA H 1 4.702 0.002 . . . . . . A 5 VAL HA . 34106 1 49 . 1 1 5 5 VAL HB H 1 1.737 0.004 . . . . . . A 5 VAL HB . 34106 1 50 . 1 1 5 5 VAL HG11 H 1 0.656 0.019 . . . . . . A 5 VAL HG11 . 34106 1 51 . 1 1 5 5 VAL HG12 H 1 0.656 0.019 . . . . . . A 5 VAL HG12 . 34106 1 52 . 1 1 5 5 VAL HG13 H 1 0.656 0.019 . . . . . . A 5 VAL HG13 . 34106 1 53 . 1 1 5 5 VAL HG21 H 1 0.719 0.003 . . . . . . A 5 VAL HG21 . 34106 1 54 . 1 1 5 5 VAL HG22 H 1 0.719 0.003 . . . . . . A 5 VAL HG22 . 34106 1 55 . 1 1 5 5 VAL HG23 H 1 0.719 0.003 . . . . . . A 5 VAL HG23 . 34106 1 56 . 1 1 5 5 VAL C C 13 173.817 0.004 . . . . . . A 5 VAL C . 34106 1 57 . 1 1 5 5 VAL CA C 13 59.267 0.032 . . . . . . A 5 VAL CA . 34106 1 58 . 1 1 5 5 VAL CB C 13 34.881 0.037 . . . . . . A 5 VAL CB . 34106 1 59 . 1 1 5 5 VAL CG1 C 13 21.100 0.001 . . . . . . A 5 VAL CG1 . 34106 1 60 . 1 1 5 5 VAL CG2 C 13 21.308 0.000 . . . . . . A 5 VAL CG2 . 34106 1 61 . 1 1 5 5 VAL N N 15 118.479 0.043 . . . . . . A 5 VAL N . 34106 1 62 . 1 1 6 6 SER H H 1 8.484 0.008 . . . . . . A 6 SER H . 34106 1 63 . 1 1 6 6 SER HA H 1 5.137 0.003 . . . . . . A 6 SER HA . 34106 1 64 . 1 1 6 6 SER HB2 H 1 3.663 0.023 . . . . . . A 6 SER HB2 . 34106 1 65 . 1 1 6 6 SER HB3 H 1 3.522 0.016 . . . . . . A 6 SER HB3 . 34106 1 66 . 1 1 6 6 SER C C 13 172.686 0.001 . . . . . . A 6 SER C . 34106 1 67 . 1 1 6 6 SER CA C 13 58.146 2.831 . . . . . . A 6 SER CA . 34106 1 68 . 1 1 6 6 SER CB C 13 64.485 0.010 . . . . . . A 6 SER CB . 34106 1 69 . 1 1 6 6 SER N N 15 119.717 0.038 . . . . . . A 6 SER N . 34106 1 70 . 1 1 7 7 ILE H H 1 9.353 0.006 . . . . . . A 7 ILE H . 34106 1 71 . 1 1 7 7 ILE HA H 1 4.623 0.002 . . . . . . A 7 ILE HA . 34106 1 72 . 1 1 7 7 ILE HB H 1 2.004 0.003 . . . . . . A 7 ILE HB . 34106 1 73 . 1 1 7 7 ILE HG12 H 1 1.188 0.008 . . . . . . A 7 ILE HG12 . 34106 1 74 . 1 1 7 7 ILE HG13 H 1 1.410 0.004 . . . . . . A 7 ILE HG13 . 34106 1 75 . 1 1 7 7 ILE HG21 H 1 0.351 0.003 . . . . . . A 7 ILE HG21 . 34106 1 76 . 1 1 7 7 ILE HG22 H 1 0.351 0.003 . . . . . . A 7 ILE HG22 . 34106 1 77 . 1 1 7 7 ILE HG23 H 1 0.351 0.003 . . . . . . A 7 ILE HG23 . 34106 1 78 . 1 1 7 7 ILE HD11 H 1 0.537 0.002 . . . . . . A 7 ILE HD11 . 34106 1 79 . 1 1 7 7 ILE HD12 H 1 0.537 0.002 . . . . . . A 7 ILE HD12 . 34106 1 80 . 1 1 7 7 ILE HD13 H 1 0.537 0.002 . . . . . . A 7 ILE HD13 . 34106 1 81 . 1 1 7 7 ILE C C 13 174.628 0.002 . . . . . . A 7 ILE C . 34106 1 82 . 1 1 7 7 ILE CA C 13 57.882 0.044 . . . . . . A 7 ILE CA . 34106 1 83 . 1 1 7 7 ILE CB C 13 37.464 0.035 . . . . . . A 7 ILE CB . 34106 1 84 . 1 1 7 7 ILE CG1 C 13 27.184 0.055 . . . . . . A 7 ILE CG1 . 34106 1 85 . 1 1 7 7 ILE CG2 C 13 18.501 0.002 . . . . . . A 7 ILE CG2 . 34106 1 86 . 1 1 7 7 ILE CD1 C 13 12.054 0.076 . . . . . . A 7 ILE CD1 . 34106 1 87 . 1 1 7 7 ILE N N 15 125.540 0.045 . . . . . . A 7 ILE N . 34106 1 88 . 1 1 8 8 GLU H H 1 8.714 0.006 . . . . . . A 8 GLU H . 34106 1 89 . 1 1 8 8 GLU HA H 1 4.875 0.004 . . . . . . A 8 GLU HA . 34106 1 90 . 1 1 8 8 GLU HB2 H 1 1.629 0.007 . . . . . . A 8 GLU HB2 . 34106 1 91 . 1 1 8 8 GLU HB3 H 1 1.486 0.014 . . . . . . A 8 GLU HB3 . 34106 1 92 . 1 1 8 8 GLU HG2 H 1 1.961 0.005 . . . . . . A 8 GLU HG2 . 34106 1 93 . 1 1 8 8 GLU HG3 H 1 2.210 0.007 . . . . . . A 8 GLU HG3 . 34106 1 94 . 1 1 8 8 GLU C C 13 175.925 0.001 . . . . . . A 8 GLU C . 34106 1 95 . 1 1 8 8 GLU CA C 13 55.261 0.072 . . . . . . A 8 GLU CA . 34106 1 96 . 1 1 8 8 GLU CB C 13 31.734 0.015 . . . . . . A 8 GLU CB . 34106 1 97 . 1 1 8 8 GLU CG C 13 36.599 0.085 . . . . . . A 8 GLU CG . 34106 1 98 . 1 1 8 8 GLU N N 15 126.891 0.048 . . . . . . A 8 GLU N . 34106 1 99 . 1 1 9 9 PHE H H 1 8.998 0.010 . . . . . . A 9 PHE H . 34106 1 100 . 1 1 9 9 PHE HA H 1 4.799 0.003 . . . . . . A 9 PHE HA . 34106 1 101 . 1 1 9 9 PHE HB2 H 1 3.215 0.011 . . . . . . A 9 PHE HB2 . 34106 1 102 . 1 1 9 9 PHE HB3 H 1 3.246 0.013 . . . . . . A 9 PHE HB3 . 34106 1 103 . 1 1 9 9 PHE HD1 H 1 7.308 0.000 . . . . . . A 9 PHE HD1 . 34106 1 104 . 1 1 9 9 PHE HD2 H 1 7.308 0.000 . . . . . . A 9 PHE HD2 . 34106 1 105 . 1 1 9 9 PHE HE1 H 1 7.308 0.000 . . . . . . A 9 PHE HE1 . 34106 1 106 . 1 1 9 9 PHE HE2 H 1 7.308 0.000 . . . . . . A 9 PHE HE2 . 34106 1 107 . 1 1 9 9 PHE C C 13 178.166 0.023 . . . . . . A 9 PHE C . 34106 1 108 . 1 1 9 9 PHE CA C 13 57.032 0.029 . . . . . . A 9 PHE CA . 34106 1 109 . 1 1 9 9 PHE CB C 13 40.539 0.051 . . . . . . A 9 PHE CB . 34106 1 110 . 1 1 9 9 PHE CD1 C 13 131.863 0.023 . . . . . . A 9 PHE CD1 . 34106 1 111 . 1 1 9 9 PHE CD2 C 13 131.863 0.023 . . . . . . A 9 PHE CD2 . 34106 1 112 . 1 1 9 9 PHE CE1 C 13 131.851 0.000 . . . . . . A 9 PHE CE1 . 34106 1 113 . 1 1 9 9 PHE CE2 C 13 131.851 0.000 . . . . . . A 9 PHE CE2 . 34106 1 114 . 1 1 9 9 PHE N N 15 126.442 0.074 . . . . . . A 9 PHE N . 34106 1 115 . 1 1 10 10 GLN H H 1 9.438 0.008 . . . . . . A 10 GLN H . 34106 1 116 . 1 1 10 10 GLN HA H 1 4.093 0.000 . . . . . . A 10 GLN HA . 34106 1 117 . 1 1 10 10 GLN HB2 H 1 2.154 0.002 . . . . . . A 10 GLN HB2 . 34106 1 118 . 1 1 10 10 GLN HB3 H 1 2.154 0.002 . . . . . . A 10 GLN HB3 . 34106 1 119 . 1 1 10 10 GLN HG2 H 1 2.460 0.000 . . . . . . A 10 GLN HG2 . 34106 1 120 . 1 1 10 10 GLN HG3 H 1 2.550 0.000 . . . . . . A 10 GLN HG3 . 34106 1 121 . 1 1 10 10 GLN HE21 H 1 7.683 0.004 . . . . . . A 10 GLN HE21 . 34106 1 122 . 1 1 10 10 GLN HE22 H 1 6.973 0.005 . . . . . . A 10 GLN HE22 . 34106 1 123 . 1 1 10 10 GLN C C 13 176.363 0.019 . . . . . . A 10 GLN C . 34106 1 124 . 1 1 10 10 GLN CA C 13 58.964 0.033 . . . . . . A 10 GLN CA . 34106 1 125 . 1 1 10 10 GLN CB C 13 28.840 0.014 . . . . . . A 10 GLN CB . 34106 1 126 . 1 1 10 10 GLN CG C 13 34.681 0.000 . . . . . . A 10 GLN CG . 34106 1 127 . 1 1 10 10 GLN CD C 13 180.612 0.001 . . . . . . A 10 GLN CD . 34106 1 128 . 1 1 10 10 GLN N N 15 122.200 0.053 . . . . . . A 10 GLN N . 34106 1 129 . 1 1 10 10 GLN NE2 N 15 113.133 0.010 . . . . . . A 10 GLN NE2 . 34106 1 130 . 1 1 11 11 ASN H H 1 7.980 0.007 . . . . . . A 11 ASN H . 34106 1 131 . 1 1 11 11 ASN HA H 1 4.571 0.008 . . . . . . A 11 ASN HA . 34106 1 132 . 1 1 11 11 ASN HB2 H 1 2.783 0.002 . . . . . . A 11 ASN HB2 . 34106 1 133 . 1 1 11 11 ASN HB3 H 1 3.171 0.003 . . . . . . A 11 ASN HB3 . 34106 1 134 . 1 1 11 11 ASN HD21 H 1 7.336 0.003 . . . . . . A 11 ASN HD21 . 34106 1 135 . 1 1 11 11 ASN HD22 H 1 6.771 0.017 . . . . . . A 11 ASN HD22 . 34106 1 136 . 1 1 11 11 ASN C C 13 176.400 0.001 . . . . . . A 11 ASN C . 34106 1 137 . 1 1 11 11 ASN CA C 13 52.699 0.036 . . . . . . A 11 ASN CA . 34106 1 138 . 1 1 11 11 ASN CB C 13 37.517 0.014 . . . . . . A 11 ASN CB . 34106 1 139 . 1 1 11 11 ASN CG C 13 176.918 0.001 . . . . . . A 11 ASN CG . 34106 1 140 . 1 1 11 11 ASN N N 15 114.736 0.136 . . . . . . A 11 ASN N . 34106 1 141 . 1 1 11 11 ASN ND2 N 15 109.515 0.024 . . . . . . A 11 ASN ND2 . 34106 1 142 . 1 1 12 12 GLY H H 1 8.089 0.007 . . . . . . A 12 GLY H . 34106 1 143 . 1 1 12 12 GLY HA2 H 1 3.698 0.002 . . . . . . A 12 GLY HA2 . 34106 1 144 . 1 1 12 12 GLY HA3 H 1 4.249 0.004 . . . . . . A 12 GLY HA3 . 34106 1 145 . 1 1 12 12 GLY C C 13 174.712 0.011 . . . . . . A 12 GLY C . 34106 1 146 . 1 1 12 12 GLY CA C 13 45.118 0.028 . . . . . . A 12 GLY CA . 34106 1 147 . 1 1 12 12 GLY N N 15 108.171 0.039 . . . . . . A 12 GLY N . 34106 1 148 . 1 1 13 13 GLU H H 1 7.810 0.008 . . . . . . A 13 GLU H . 34106 1 149 . 1 1 13 13 GLU HA H 1 4.115 0.002 . . . . . . A 13 GLU HA . 34106 1 150 . 1 1 13 13 GLU HB2 H 1 1.829 0.022 . . . . . . A 13 GLU HB2 . 34106 1 151 . 1 1 13 13 GLU HB3 H 1 1.764 0.002 . . . . . . A 13 GLU HB3 . 34106 1 152 . 1 1 13 13 GLU HG2 H 1 1.979 0.008 . . . . . . A 13 GLU HG2 . 34106 1 153 . 1 1 13 13 GLU HG3 H 1 2.071 0.016 . . . . . . A 13 GLU HG3 . 34106 1 154 . 1 1 13 13 GLU C C 13 175.059 0.002 . . . . . . A 13 GLU C . 34106 1 155 . 1 1 13 13 GLU CA C 13 57.042 0.021 . . . . . . A 13 GLU CA . 34106 1 156 . 1 1 13 13 GLU CB C 13 29.960 0.005 . . . . . . A 13 GLU CB . 34106 1 157 . 1 1 13 13 GLU CG C 13 36.575 0.138 . . . . . . A 13 GLU CG . 34106 1 158 . 1 1 13 13 GLU N N 15 121.221 0.140 . . . . . . A 13 GLU N . 34106 1 159 . 1 1 14 14 LYS H H 1 8.247 0.004 . . . . . . A 14 LYS H . 34106 1 160 . 1 1 14 14 LYS HA H 1 5.594 0.006 . . . . . . A 14 LYS HA . 34106 1 161 . 1 1 14 14 LYS HB2 H 1 1.516 0.001 . . . . . . A 14 LYS HB2 . 34106 1 162 . 1 1 14 14 LYS HB3 H 1 1.519 0.003 . . . . . . A 14 LYS HB3 . 34106 1 163 . 1 1 14 14 LYS HG2 H 1 1.130 0.005 . . . . . . A 14 LYS HG2 . 34106 1 164 . 1 1 14 14 LYS HG3 H 1 1.332 0.002 . . . . . . A 14 LYS HG3 . 34106 1 165 . 1 1 14 14 LYS HD2 H 1 1.521 0.004 . . . . . . A 14 LYS HD2 . 34106 1 166 . 1 1 14 14 LYS HD3 H 1 1.521 0.004 . . . . . . A 14 LYS HD3 . 34106 1 167 . 1 1 14 14 LYS HE2 H 1 2.824 0.000 . . . . . . A 14 LYS HE2 . 34106 1 168 . 1 1 14 14 LYS HE3 H 1 2.824 0.000 . . . . . . A 14 LYS HE3 . 34106 1 169 . 1 1 14 14 LYS C C 13 176.485 0.002 . . . . . . A 14 LYS C . 34106 1 170 . 1 1 14 14 LYS CA C 13 55.052 0.042 . . . . . . A 14 LYS CA . 34106 1 171 . 1 1 14 14 LYS CB C 13 36.228 0.020 . . . . . . A 14 LYS CB . 34106 1 172 . 1 1 14 14 LYS CG C 13 25.110 0.039 . . . . . . A 14 LYS CG . 34106 1 173 . 1 1 14 14 LYS CD C 13 29.492 0.073 . . . . . . A 14 LYS CD . 34106 1 174 . 1 1 14 14 LYS CE C 13 42.011 0.000 . . . . . . A 14 LYS CE . 34106 1 175 . 1 1 14 14 LYS N N 15 119.206 0.054 . . . . . . A 14 LYS N . 34106 1 176 . 1 1 15 15 LEU H H 1 8.710 0.004 . . . . . . A 15 LEU H . 34106 1 177 . 1 1 15 15 LEU HA H 1 4.518 0.003 . . . . . . A 15 LEU HA . 34106 1 178 . 1 1 15 15 LEU HB2 H 1 1.427 0.004 . . . . . . A 15 LEU HB2 . 34106 1 179 . 1 1 15 15 LEU HB3 H 1 1.189 0.003 . . . . . . A 15 LEU HB3 . 34106 1 180 . 1 1 15 15 LEU HG H 1 1.463 0.006 . . . . . . A 15 LEU HG . 34106 1 181 . 1 1 15 15 LEU HD11 H 1 0.805 0.018 . . . . . . A 15 LEU HD11 . 34106 1 182 . 1 1 15 15 LEU HD12 H 1 0.805 0.018 . . . . . . A 15 LEU HD12 . 34106 1 183 . 1 1 15 15 LEU HD13 H 1 0.805 0.018 . . . . . . A 15 LEU HD13 . 34106 1 184 . 1 1 15 15 LEU HD21 H 1 0.793 0.001 . . . . . . A 15 LEU HD21 . 34106 1 185 . 1 1 15 15 LEU HD22 H 1 0.793 0.001 . . . . . . A 15 LEU HD22 . 34106 1 186 . 1 1 15 15 LEU HD23 H 1 0.793 0.001 . . . . . . A 15 LEU HD23 . 34106 1 187 . 1 1 15 15 LEU C C 13 174.990 0.012 . . . . . . A 15 LEU C . 34106 1 188 . 1 1 15 15 LEU CA C 13 53.395 0.049 . . . . . . A 15 LEU CA . 34106 1 189 . 1 1 15 15 LEU CB C 13 46.420 0.047 . . . . . . A 15 LEU CB . 34106 1 190 . 1 1 15 15 LEU CG C 13 26.909 0.002 . . . . . . A 15 LEU CG . 34106 1 191 . 1 1 15 15 LEU CD1 C 13 25.571 0.007 . . . . . . A 15 LEU CD1 . 34106 1 192 . 1 1 15 15 LEU CD2 C 13 23.636 0.011 . . . . . . A 15 LEU CD2 . 34106 1 193 . 1 1 15 15 LEU N N 15 123.252 0.047 . . . . . . A 15 LEU N . 34106 1 194 . 1 1 16 16 LYS H H 1 8.083 0.004 . . . . . . A 16 LYS H . 34106 1 195 . 1 1 16 16 LYS HA H 1 5.194 0.003 . . . . . . A 16 LYS HA . 34106 1 196 . 1 1 16 16 LYS HB2 H 1 1.443 0.010 . . . . . . A 16 LYS HB2 . 34106 1 197 . 1 1 16 16 LYS HB3 H 1 1.442 0.010 . . . . . . A 16 LYS HB3 . 34106 1 198 . 1 1 16 16 LYS HG2 H 1 1.196 0.003 . . . . . . A 16 LYS HG2 . 34106 1 199 . 1 1 16 16 LYS HG3 H 1 1.196 0.003 . . . . . . A 16 LYS HG3 . 34106 1 200 . 1 1 16 16 LYS HD2 H 1 1.427 0.003 . . . . . . A 16 LYS HD2 . 34106 1 201 . 1 1 16 16 LYS HD3 H 1 1.427 0.003 . . . . . . A 16 LYS HD3 . 34106 1 202 . 1 1 16 16 LYS HE2 H 1 2.733 0.001 . . . . . . A 16 LYS HE2 . 34106 1 203 . 1 1 16 16 LYS HE3 H 1 2.733 0.001 . . . . . . A 16 LYS HE3 . 34106 1 204 . 1 1 16 16 LYS C C 13 175.679 0.002 . . . . . . A 16 LYS C . 34106 1 205 . 1 1 16 16 LYS CA C 13 55.012 0.029 . . . . . . A 16 LYS CA . 34106 1 206 . 1 1 16 16 LYS CB C 13 34.787 0.009 . . . . . . A 16 LYS CB . 34106 1 207 . 1 1 16 16 LYS CG C 13 24.843 0.026 . . . . . . A 16 LYS CG . 34106 1 208 . 1 1 16 16 LYS CD C 13 29.174 0.054 . . . . . . A 16 LYS CD . 34106 1 209 . 1 1 16 16 LYS CE C 13 41.962 0.043 . . . . . . A 16 LYS CE . 34106 1 210 . 1 1 16 16 LYS N N 15 120.741 0.042 . . . . . . A 16 LYS N . 34106 1 211 . 1 1 17 17 PHE H H 1 8.493 0.012 . . . . . . A 17 PHE H . 34106 1 212 . 1 1 17 17 PHE HA H 1 4.828 0.003 . . . . . . A 17 PHE HA . 34106 1 213 . 1 1 17 17 PHE HB2 H 1 2.395 0.008 . . . . . . A 17 PHE HB2 . 34106 1 214 . 1 1 17 17 PHE HB3 H 1 3.034 0.011 . . . . . . A 17 PHE HB3 . 34106 1 215 . 1 1 17 17 PHE HD1 H 1 7.024 0.000 . . . . . . A 17 PHE HD1 . 34106 1 216 . 1 1 17 17 PHE HD2 H 1 7.024 0.000 . . . . . . A 17 PHE HD2 . 34106 1 217 . 1 1 17 17 PHE HE1 H 1 7.015 0.000 . . . . . . A 17 PHE HE1 . 34106 1 218 . 1 1 17 17 PHE HE2 H 1 7.015 0.000 . . . . . . A 17 PHE HE2 . 34106 1 219 . 1 1 17 17 PHE C C 13 174.201 0.003 . . . . . . A 17 PHE C . 34106 1 220 . 1 1 17 17 PHE CA C 13 56.144 0.115 . . . . . . A 17 PHE CA . 34106 1 221 . 1 1 17 17 PHE CB C 13 43.075 0.040 . . . . . . A 17 PHE CB . 34106 1 222 . 1 1 17 17 PHE CD1 C 13 131.633 0.000 . . . . . . A 17 PHE CD1 . 34106 1 223 . 1 1 17 17 PHE CD2 C 13 131.633 0.000 . . . . . . A 17 PHE CD2 . 34106 1 224 . 1 1 17 17 PHE CE1 C 13 131.224 0.000 . . . . . . A 17 PHE CE1 . 34106 1 225 . 1 1 17 17 PHE CE2 C 13 131.224 0.000 . . . . . . A 17 PHE CE2 . 34106 1 226 . 1 1 17 17 PHE N N 15 118.951 0.063 . . . . . . A 17 PHE N . 34106 1 227 . 1 1 18 18 ASN H H 1 8.757 0.005 . . . . . . A 18 ASN H . 34106 1 228 . 1 1 18 18 ASN HA H 1 5.342 0.003 . . . . . . A 18 ASN HA . 34106 1 229 . 1 1 18 18 ASN HB2 H 1 2.472 0.000 . . . . . . A 18 ASN HB2 . 34106 1 230 . 1 1 18 18 ASN HB3 H 1 2.647 0.011 . . . . . . A 18 ASN HB3 . 34106 1 231 . 1 1 18 18 ASN HD21 H 1 7.300 0.004 . . . . . . A 18 ASN HD21 . 34106 1 232 . 1 1 18 18 ASN HD22 H 1 6.715 0.005 . . . . . . A 18 ASN HD22 . 34106 1 233 . 1 1 18 18 ASN C C 13 175.116 0.002 . . . . . . A 18 ASN C . 34106 1 234 . 1 1 18 18 ASN CA C 13 52.972 0.047 . . . . . . A 18 ASN CA . 34106 1 235 . 1 1 18 18 ASN CB C 13 38.691 0.036 . . . . . . A 18 ASN CB . 34106 1 236 . 1 1 18 18 ASN CG C 13 176.414 0.002 . . . . . . A 18 ASN CG . 34106 1 237 . 1 1 18 18 ASN N N 15 121.313 0.043 . . . . . . A 18 ASN N . 34106 1 238 . 1 1 18 18 ASN ND2 N 15 111.896 0.006 . . . . . . A 18 ASN ND2 . 34106 1 239 . 1 1 19 19 VAL H H 1 8.541 0.008 . . . . . . A 19 VAL H . 34106 1 240 . 1 1 19 19 VAL HA H 1 4.759 0.001 . . . . . . A 19 VAL HA . 34106 1 241 . 1 1 19 19 VAL HB H 1 2.166 0.003 . . . . . . A 19 VAL HB . 34106 1 242 . 1 1 19 19 VAL HG11 H 1 0.499 0.003 . . . . . . A 19 VAL HG11 . 34106 1 243 . 1 1 19 19 VAL HG12 H 1 0.499 0.003 . . . . . . A 19 VAL HG12 . 34106 1 244 . 1 1 19 19 VAL HG13 H 1 0.499 0.003 . . . . . . A 19 VAL HG13 . 34106 1 245 . 1 1 19 19 VAL HG21 H 1 0.595 0.003 . . . . . . A 19 VAL HG21 . 34106 1 246 . 1 1 19 19 VAL HG22 H 1 0.595 0.003 . . . . . . A 19 VAL HG22 . 34106 1 247 . 1 1 19 19 VAL HG23 H 1 0.595 0.003 . . . . . . A 19 VAL HG23 . 34106 1 248 . 1 1 19 19 VAL C C 13 173.695 0.001 . . . . . . A 19 VAL C . 34106 1 249 . 1 1 19 19 VAL CA C 13 59.162 0.022 . . . . . . A 19 VAL CA . 34106 1 250 . 1 1 19 19 VAL CB C 13 36.324 0.024 . . . . . . A 19 VAL CB . 34106 1 251 . 1 1 19 19 VAL CG1 C 13 18.807 0.006 . . . . . . A 19 VAL CG1 . 34106 1 252 . 1 1 19 19 VAL CG2 C 13 22.822 0.003 . . . . . . A 19 VAL CG2 . 34106 1 253 . 1 1 19 19 VAL N N 15 116.437 0.017 . . . . . . A 19 VAL N . 34106 1 254 . 1 1 20 20 GLN H H 1 9.559 0.010 . . . . . . A 20 GLN H . 34106 1 255 . 1 1 20 20 GLN HA H 1 4.888 0.003 . . . . . . A 20 GLN HA . 34106 1 256 . 1 1 20 20 GLN HB2 H 1 1.378 0.003 . . . . . . A 20 GLN HB2 . 34106 1 257 . 1 1 20 20 GLN HB3 H 1 2.013 0.003 . . . . . . A 20 GLN HB3 . 34106 1 258 . 1 1 20 20 GLN HG2 H 1 2.118 0.003 . . . . . . A 20 GLN HG2 . 34106 1 259 . 1 1 20 20 GLN HG3 H 1 2.121 0.000 . . . . . . A 20 GLN HG3 . 34106 1 260 . 1 1 20 20 GLN HE21 H 1 7.165 0.004 . . . . . . A 20 GLN HE21 . 34106 1 261 . 1 1 20 20 GLN HE22 H 1 6.802 0.024 . . . . . . A 20 GLN HE22 . 34106 1 262 . 1 1 20 20 GLN C C 13 175.287 0.000 . . . . . . A 20 GLN C . 34106 1 263 . 1 1 20 20 GLN CA C 13 53.277 0.040 . . . . . . A 20 GLN CA . 34106 1 264 . 1 1 20 20 GLN CB C 13 29.970 0.040 . . . . . . A 20 GLN CB . 34106 1 265 . 1 1 20 20 GLN CG C 13 33.275 0.000 . . . . . . A 20 GLN CG . 34106 1 266 . 1 1 20 20 GLN CD C 13 180.100 0.002 . . . . . . A 20 GLN CD . 34106 1 267 . 1 1 20 20 GLN N N 15 119.580 0.120 . . . . . . A 20 GLN N . 34106 1 268 . 1 1 20 20 GLN NE2 N 15 111.672 0.201 . . . . . . A 20 GLN NE2 . 34106 1 269 . 1 1 21 21 PRO HA H 1 4.195 0.003 . . . . . . A 21 PRO HA . 34106 1 270 . 1 1 21 21 PRO HB2 H 1 1.925 0.000 . . . . . . A 21 PRO HB2 . 34106 1 271 . 1 1 21 21 PRO HB3 H 1 2.337 0.000 . . . . . . A 21 PRO HB3 . 34106 1 272 . 1 1 21 21 PRO HG2 H 1 2.007 0.000 . . . . . . A 21 PRO HG2 . 34106 1 273 . 1 1 21 21 PRO HG3 H 1 1.933 0.000 . . . . . . A 21 PRO HG3 . 34106 1 274 . 1 1 21 21 PRO HD2 H 1 3.574 0.004 . . . . . . A 21 PRO HD2 . 34106 1 275 . 1 1 21 21 PRO HD3 H 1 3.752 0.012 . . . . . . A 21 PRO HD3 . 34106 1 276 . 1 1 21 21 PRO C C 13 175.186 0.001 . . . . . . A 21 PRO C . 34106 1 277 . 1 1 21 21 PRO CA C 13 65.129 0.000 . . . . . . A 21 PRO CA . 34106 1 278 . 1 1 21 21 PRO CB C 13 31.744 0.000 . . . . . . A 21 PRO CB . 34106 1 279 . 1 1 21 21 PRO CG C 13 28.077 0.000 . . . . . . A 21 PRO CG . 34106 1 280 . 1 1 21 21 PRO CD C 13 50.537 0.043 . . . . . . A 21 PRO CD . 34106 1 281 . 1 1 22 22 SER H H 1 6.960 0.007 . . . . . . A 22 SER H . 34106 1 282 . 1 1 22 22 SER HA H 1 4.287 0.004 . . . . . . A 22 SER HA . 34106 1 283 . 1 1 22 22 SER HB2 H 1 3.658 0.002 . . . . . . A 22 SER HB2 . 34106 1 284 . 1 1 22 22 SER HB3 H 1 3.990 0.003 . . . . . . A 22 SER HB3 . 34106 1 285 . 1 1 22 22 SER C C 13 175.328 0.005 . . . . . . A 22 SER C . 34106 1 286 . 1 1 22 22 SER CA C 13 57.503 0.031 . . . . . . A 22 SER CA . 34106 1 287 . 1 1 22 22 SER CB C 13 63.293 0.024 . . . . . . A 22 SER CB . 34106 1 288 . 1 1 22 22 SER N N 15 103.740 0.028 . . . . . . A 22 SER N . 34106 1 289 . 1 1 23 23 HIS H H 1 7.984 0.004 . . . . . . A 23 HIS H . 34106 1 290 . 1 1 23 23 HIS HA H 1 4.327 0.006 . . . . . . A 23 HIS HA . 34106 1 291 . 1 1 23 23 HIS HB2 H 1 3.277 0.004 . . . . . . A 23 HIS HB2 . 34106 1 292 . 1 1 23 23 HIS HB3 H 1 2.866 0.005 . . . . . . A 23 HIS HB3 . 34106 1 293 . 1 1 23 23 HIS HD2 H 1 6.963 0.000 . . . . . . A 23 HIS HD2 . 34106 1 294 . 1 1 23 23 HIS HE1 H 1 7.462 0.000 . . . . . . A 23 HIS HE1 . 34106 1 295 . 1 1 23 23 HIS C C 13 176.024 0.001 . . . . . . A 23 HIS C . 34106 1 296 . 1 1 23 23 HIS CA C 13 60.053 0.081 . . . . . . A 23 HIS CA . 34106 1 297 . 1 1 23 23 HIS CB C 13 31.193 0.025 . . . . . . A 23 HIS CB . 34106 1 298 . 1 1 23 23 HIS CD2 C 13 116.172 0.073 . . . . . . A 23 HIS CD2 . 34106 1 299 . 1 1 23 23 HIS CE1 C 13 138.011 0.000 . . . . . . A 23 HIS CE1 . 34106 1 300 . 1 1 23 23 HIS N N 15 123.617 0.025 . . . . . . A 23 HIS N . 34106 1 301 . 1 1 24 24 LYS H H 1 9.137 0.007 . . . . . . A 24 LYS H . 34106 1 302 . 1 1 24 24 LYS HA H 1 4.916 0.002 . . . . . . A 24 LYS HA . 34106 1 303 . 1 1 24 24 LYS HB2 H 1 1.589 0.003 . . . . . . A 24 LYS HB2 . 34106 1 304 . 1 1 24 24 LYS HB3 H 1 2.184 0.004 . . . . . . A 24 LYS HB3 . 34106 1 305 . 1 1 24 24 LYS HG2 H 1 1.275 0.003 . . . . . . A 24 LYS HG2 . 34106 1 306 . 1 1 24 24 LYS HG3 H 1 1.275 0.003 . . . . . . A 24 LYS HG3 . 34106 1 307 . 1 1 24 24 LYS HD2 H 1 1.642 0.012 . . . . . . A 24 LYS HD2 . 34106 1 308 . 1 1 24 24 LYS HD3 H 1 1.642 0.012 . . . . . . A 24 LYS HD3 . 34106 1 309 . 1 1 24 24 LYS HE2 H 1 2.969 0.002 . . . . . . A 24 LYS HE2 . 34106 1 310 . 1 1 24 24 LYS HE3 H 1 2.969 0.002 . . . . . . A 24 LYS HE3 . 34106 1 311 . 1 1 24 24 LYS C C 13 178.958 0.003 . . . . . . A 24 LYS C . 34106 1 312 . 1 1 24 24 LYS CA C 13 54.832 0.034 . . . . . . A 24 LYS CA . 34106 1 313 . 1 1 24 24 LYS CB C 13 33.548 0.053 . . . . . . A 24 LYS CB . 34106 1 314 . 1 1 24 24 LYS CG C 13 25.841 0.036 . . . . . . A 24 LYS CG . 34106 1 315 . 1 1 24 24 LYS CD C 13 29.605 0.058 . . . . . . A 24 LYS CD . 34106 1 316 . 1 1 24 24 LYS CE C 13 42.045 0.033 . . . . . . A 24 LYS CE . 34106 1 317 . 1 1 24 24 LYS N N 15 119.927 0.045 . . . . . . A 24 LYS N . 34106 1 318 . 1 1 25 25 ILE H H 1 8.902 0.015 . . . . . . A 25 ILE H . 34106 1 319 . 1 1 25 25 ILE HA H 1 3.518 0.003 . . . . . . A 25 ILE HA . 34106 1 320 . 1 1 25 25 ILE HB H 1 2.520 0.003 . . . . . . A 25 ILE HB . 34106 1 321 . 1 1 25 25 ILE HG12 H 1 1.062 0.002 . . . . . . A 25 ILE HG12 . 34106 1 322 . 1 1 25 25 ILE HG13 H 1 1.722 0.004 . . . . . . A 25 ILE HG13 . 34106 1 323 . 1 1 25 25 ILE HG21 H 1 0.660 0.003 . . . . . . A 25 ILE HG21 . 34106 1 324 . 1 1 25 25 ILE HG22 H 1 0.660 0.003 . . . . . . A 25 ILE HG22 . 34106 1 325 . 1 1 25 25 ILE HG23 H 1 0.660 0.003 . . . . . . A 25 ILE HG23 . 34106 1 326 . 1 1 25 25 ILE HD11 H 1 0.523 0.003 . . . . . . A 25 ILE HD11 . 34106 1 327 . 1 1 25 25 ILE HD12 H 1 0.523 0.003 . . . . . . A 25 ILE HD12 . 34106 1 328 . 1 1 25 25 ILE HD13 H 1 0.523 0.003 . . . . . . A 25 ILE HD13 . 34106 1 329 . 1 1 25 25 ILE C C 13 179.864 0.001 . . . . . . A 25 ILE C . 34106 1 330 . 1 1 25 25 ILE CA C 13 63.297 0.053 . . . . . . A 25 ILE CA . 34106 1 331 . 1 1 25 25 ILE CB C 13 33.805 0.035 . . . . . . A 25 ILE CB . 34106 1 332 . 1 1 25 25 ILE CG1 C 13 28.980 0.044 . . . . . . A 25 ILE CG1 . 34106 1 333 . 1 1 25 25 ILE CG2 C 13 18.225 0.008 . . . . . . A 25 ILE CG2 . 34106 1 334 . 1 1 25 25 ILE CD1 C 13 9.279 0.010 . . . . . . A 25 ILE CD1 . 34106 1 335 . 1 1 25 25 ILE N N 15 124.876 0.089 . . . . . . A 25 ILE N . 34106 1 336 . 1 1 26 26 LEU H H 1 8.595 0.005 . . . . . . A 26 LEU H . 34106 1 337 . 1 1 26 26 LEU HA H 1 3.744 0.005 . . . . . . A 26 LEU HA . 34106 1 338 . 1 1 26 26 LEU HB2 H 1 1.217 0.007 . . . . . . A 26 LEU HB2 . 34106 1 339 . 1 1 26 26 LEU HB3 H 1 1.498 0.004 . . . . . . A 26 LEU HB3 . 34106 1 340 . 1 1 26 26 LEU HG H 1 1.567 0.006 . . . . . . A 26 LEU HG . 34106 1 341 . 1 1 26 26 LEU HD11 H 1 0.489 0.003 . . . . . . A 26 LEU HD11 . 34106 1 342 . 1 1 26 26 LEU HD12 H 1 0.489 0.003 . . . . . . A 26 LEU HD12 . 34106 1 343 . 1 1 26 26 LEU HD13 H 1 0.489 0.003 . . . . . . A 26 LEU HD13 . 34106 1 344 . 1 1 26 26 LEU HD21 H 1 0.486 0.000 . . . . . . A 26 LEU HD21 . 34106 1 345 . 1 1 26 26 LEU HD22 H 1 0.486 0.000 . . . . . . A 26 LEU HD22 . 34106 1 346 . 1 1 26 26 LEU HD23 H 1 0.486 0.000 . . . . . . A 26 LEU HD23 . 34106 1 347 . 1 1 26 26 LEU C C 13 177.583 0.001 . . . . . . A 26 LEU C . 34106 1 348 . 1 1 26 26 LEU CA C 13 58.149 0.076 . . . . . . A 26 LEU CA . 34106 1 349 . 1 1 26 26 LEU CB C 13 42.890 0.083 . . . . . . A 26 LEU CB . 34106 1 350 . 1 1 26 26 LEU CG C 13 26.386 0.099 . . . . . . A 26 LEU CG . 34106 1 351 . 1 1 26 26 LEU CD1 C 13 23.276 0.028 . . . . . . A 26 LEU CD1 . 34106 1 352 . 1 1 26 26 LEU CD2 C 13 25.609 0.000 . . . . . . A 26 LEU CD2 . 34106 1 353 . 1 1 26 26 LEU N N 15 119.019 0.186 . . . . . . A 26 LEU N . 34106 1 354 . 1 1 27 27 ASP H H 1 6.929 0.010 . . . . . . A 27 ASP H . 34106 1 355 . 1 1 27 27 ASP HA H 1 4.271 0.003 . . . . . . A 27 ASP HA . 34106 1 356 . 1 1 27 27 ASP HB2 H 1 2.494 0.004 . . . . . . A 27 ASP HB2 . 34106 1 357 . 1 1 27 27 ASP HB3 H 1 3.116 0.003 . . . . . . A 27 ASP HB3 . 34106 1 358 . 1 1 27 27 ASP C C 13 179.281 0.003 . . . . . . A 27 ASP C . 34106 1 359 . 1 1 27 27 ASP CA C 13 57.582 0.050 . . . . . . A 27 ASP CA . 34106 1 360 . 1 1 27 27 ASP CB C 13 40.393 0.030 . . . . . . A 27 ASP CB . 34106 1 361 . 1 1 27 27 ASP N N 15 115.871 0.029 . . . . . . A 27 ASP N . 34106 1 362 . 1 1 28 28 ILE H H 1 7.506 0.022 . . . . . . A 28 ILE H . 34106 1 363 . 1 1 28 28 ILE HA H 1 3.611 0.005 . . . . . . A 28 ILE HA . 34106 1 364 . 1 1 28 28 ILE HB H 1 2.008 0.002 . . . . . . A 28 ILE HB . 34106 1 365 . 1 1 28 28 ILE HG12 H 1 1.353 0.002 . . . . . . A 28 ILE HG12 . 34106 1 366 . 1 1 28 28 ILE HG13 H 1 1.216 0.002 . . . . . . A 28 ILE HG13 . 34106 1 367 . 1 1 28 28 ILE HG21 H 1 0.608 0.006 . . . . . . A 28 ILE HG21 . 34106 1 368 . 1 1 28 28 ILE HG22 H 1 0.608 0.006 . . . . . . A 28 ILE HG22 . 34106 1 369 . 1 1 28 28 ILE HG23 H 1 0.608 0.006 . . . . . . A 28 ILE HG23 . 34106 1 370 . 1 1 28 28 ILE HD11 H 1 0.610 0.006 . . . . . . A 28 ILE HD11 . 34106 1 371 . 1 1 28 28 ILE HD12 H 1 0.610 0.006 . . . . . . A 28 ILE HD12 . 34106 1 372 . 1 1 28 28 ILE HD13 H 1 0.610 0.006 . . . . . . A 28 ILE HD13 . 34106 1 373 . 1 1 28 28 ILE C C 13 177.959 0.002 . . . . . . A 28 ILE C . 34106 1 374 . 1 1 28 28 ILE CA C 13 63.541 0.068 . . . . . . A 28 ILE CA . 34106 1 375 . 1 1 28 28 ILE CB C 13 36.271 0.040 . . . . . . A 28 ILE CB . 34106 1 376 . 1 1 28 28 ILE CG1 C 13 28.061 0.055 . . . . . . A 28 ILE CG1 . 34106 1 377 . 1 1 28 28 ILE CG2 C 13 17.323 0.055 . . . . . . A 28 ILE CG2 . 34106 1 378 . 1 1 28 28 ILE CD1 C 13 12.235 0.009 . . . . . . A 28 ILE CD1 . 34106 1 379 . 1 1 28 28 ILE N N 15 121.105 0.095 . . . . . . A 28 ILE N . 34106 1 380 . 1 1 29 29 LYS H H 1 8.101 0.008 . . . . . . A 29 LYS H . 34106 1 381 . 1 1 29 29 LYS HA H 1 4.511 0.004 . . . . . . A 29 LYS HA . 34106 1 382 . 1 1 29 29 LYS HB2 H 1 1.850 0.001 . . . . . . A 29 LYS HB2 . 34106 1 383 . 1 1 29 29 LYS HB3 H 1 1.506 0.004 . . . . . . A 29 LYS HB3 . 34106 1 384 . 1 1 29 29 LYS HG2 H 1 1.367 0.000 . . . . . . A 29 LYS HG2 . 34106 1 385 . 1 1 29 29 LYS HG3 H 1 1.367 0.000 . . . . . . A 29 LYS HG3 . 34106 1 386 . 1 1 29 29 LYS HD2 H 1 1.509 0.007 . . . . . . A 29 LYS HD2 . 34106 1 387 . 1 1 29 29 LYS HD3 H 1 1.509 0.007 . . . . . . A 29 LYS HD3 . 34106 1 388 . 1 1 29 29 LYS HE2 H 1 2.832 0.001 . . . . . . A 29 LYS HE2 . 34106 1 389 . 1 1 29 29 LYS HE3 H 1 2.832 0.001 . . . . . . A 29 LYS HE3 . 34106 1 390 . 1 1 29 29 LYS C C 13 180.232 0.004 . . . . . . A 29 LYS C . 34106 1 391 . 1 1 29 29 LYS CA C 13 59.497 0.060 . . . . . . A 29 LYS CA . 34106 1 392 . 1 1 29 29 LYS CB C 13 33.586 0.065 . . . . . . A 29 LYS CB . 34106 1 393 . 1 1 29 29 LYS CG C 13 26.692 0.003 . . . . . . A 29 LYS CG . 34106 1 394 . 1 1 29 29 LYS CD C 13 30.365 0.002 . . . . . . A 29 LYS CD . 34106 1 395 . 1 1 29 29 LYS CE C 13 42.948 0.012 . . . . . . A 29 LYS CE . 34106 1 396 . 1 1 29 29 LYS N N 15 119.613 0.050 . . . . . . A 29 LYS N . 34106 1 397 . 1 1 30 30 GLU H H 1 8.326 0.009 . . . . . . A 30 GLU H . 34106 1 398 . 1 1 30 30 GLU HA H 1 3.996 0.001 . . . . . . A 30 GLU HA . 34106 1 399 . 1 1 30 30 GLU HB2 H 1 2.112 0.002 . . . . . . A 30 GLU HB2 . 34106 1 400 . 1 1 30 30 GLU HB3 H 1 2.061 0.001 . . . . . . A 30 GLU HB3 . 34106 1 401 . 1 1 30 30 GLU HG2 H 1 2.199 0.000 . . . . . . A 30 GLU HG2 . 34106 1 402 . 1 1 30 30 GLU HG3 H 1 2.361 0.004 . . . . . . A 30 GLU HG3 . 34106 1 403 . 1 1 30 30 GLU C C 13 178.943 0.002 . . . . . . A 30 GLU C . 34106 1 404 . 1 1 30 30 GLU CA C 13 60.099 0.040 . . . . . . A 30 GLU CA . 34106 1 405 . 1 1 30 30 GLU CB C 13 28.812 0.018 . . . . . . A 30 GLU CB . 34106 1 406 . 1 1 30 30 GLU CG C 13 36.116 0.008 . . . . . . A 30 GLU CG . 34106 1 407 . 1 1 30 30 GLU N N 15 121.835 0.056 . . . . . . A 30 GLU N . 34106 1 408 . 1 1 31 31 MET H H 1 7.610 0.012 . . . . . . A 31 MET H . 34106 1 409 . 1 1 31 31 MET HA H 1 3.837 0.003 . . . . . . A 31 MET HA . 34106 1 410 . 1 1 31 31 MET HB2 H 1 1.793 0.005 . . . . . . A 31 MET HB2 . 34106 1 411 . 1 1 31 31 MET HB3 H 1 1.282 0.005 . . . . . . A 31 MET HB3 . 34106 1 412 . 1 1 31 31 MET HG2 H 1 2.324 0.001 . . . . . . A 31 MET HG2 . 34106 1 413 . 1 1 31 31 MET HG3 H 1 2.552 0.002 . . . . . . A 31 MET HG3 . 34106 1 414 . 1 1 31 31 MET HE1 H 1 1.569 0.003 . . . . . . A 31 MET HE1 . 34106 1 415 . 1 1 31 31 MET HE2 H 1 1.569 0.003 . . . . . . A 31 MET HE2 . 34106 1 416 . 1 1 31 31 MET HE3 H 1 1.569 0.003 . . . . . . A 31 MET HE3 . 34106 1 417 . 1 1 31 31 MET C C 13 179.472 0.004 . . . . . . A 31 MET C . 34106 1 418 . 1 1 31 31 MET CA C 13 59.734 0.042 . . . . . . A 31 MET CA . 34106 1 419 . 1 1 31 31 MET CB C 13 31.671 0.054 . . . . . . A 31 MET CB . 34106 1 420 . 1 1 31 31 MET CG C 13 32.438 0.053 . . . . . . A 31 MET CG . 34106 1 421 . 1 1 31 31 MET CE C 13 16.992 0.000 . . . . . . A 31 MET CE . 34106 1 422 . 1 1 31 31 MET N N 15 120.333 0.223 . . . . . . A 31 MET N . 34106 1 423 . 1 1 32 32 ILE H H 1 8.297 0.013 . . . . . . A 32 ILE H . 34106 1 424 . 1 1 32 32 ILE HA H 1 3.484 0.003 . . . . . . A 32 ILE HA . 34106 1 425 . 1 1 32 32 ILE HB H 1 2.319 0.003 . . . . . . A 32 ILE HB . 34106 1 426 . 1 1 32 32 ILE HG12 H 1 0.641 0.003 . . . . . . A 32 ILE HG12 . 34106 1 427 . 1 1 32 32 ILE HG13 H 1 1.725 0.003 . . . . . . A 32 ILE HG13 . 34106 1 428 . 1 1 32 32 ILE HG21 H 1 0.746 0.007 . . . . . . A 32 ILE HG21 . 34106 1 429 . 1 1 32 32 ILE HG22 H 1 0.746 0.007 . . . . . . A 32 ILE HG22 . 34106 1 430 . 1 1 32 32 ILE HG23 H 1 0.746 0.007 . . . . . . A 32 ILE HG23 . 34106 1 431 . 1 1 32 32 ILE HD11 H 1 0.755 0.000 . . . . . . A 32 ILE HD11 . 34106 1 432 . 1 1 32 32 ILE HD12 H 1 0.755 0.000 . . . . . . A 32 ILE HD12 . 34106 1 433 . 1 1 32 32 ILE HD13 H 1 0.755 0.000 . . . . . . A 32 ILE HD13 . 34106 1 434 . 1 1 32 32 ILE C C 13 180.614 0.002 . . . . . . A 32 ILE C . 34106 1 435 . 1 1 32 32 ILE CA C 13 66.324 0.036 . . . . . . A 32 ILE CA . 34106 1 436 . 1 1 32 32 ILE CB C 13 37.435 0.042 . . . . . . A 32 ILE CB . 34106 1 437 . 1 1 32 32 ILE CG1 C 13 30.398 0.082 . . . . . . A 32 ILE CG1 . 34106 1 438 . 1 1 32 32 ILE CG2 C 13 17.534 0.000 . . . . . . A 32 ILE CG2 . 34106 1 439 . 1 1 32 32 ILE CD1 C 13 15.272 0.037 . . . . . . A 32 ILE CD1 . 34106 1 440 . 1 1 32 32 ILE N N 15 120.395 0.107 . . . . . . A 32 ILE N . 34106 1 441 . 1 1 33 33 PHE H H 1 9.001 0.003 . . . . . . A 33 PHE H . 34106 1 442 . 1 1 33 33 PHE HA H 1 4.355 0.004 . . . . . . A 33 PHE HA . 34106 1 443 . 1 1 33 33 PHE HB2 H 1 3.305 0.005 . . . . . . A 33 PHE HB2 . 34106 1 444 . 1 1 33 33 PHE HB3 H 1 3.200 0.005 . . . . . . A 33 PHE HB3 . 34106 1 445 . 1 1 33 33 PHE HD1 H 1 7.050 0.001 . . . . . . A 33 PHE HD1 . 34106 1 446 . 1 1 33 33 PHE HD2 H 1 7.050 0.001 . . . . . . A 33 PHE HD2 . 34106 1 447 . 1 1 33 33 PHE HE1 H 1 7.050 0.001 . . . . . . A 33 PHE HE1 . 34106 1 448 . 1 1 33 33 PHE HE2 H 1 7.050 0.001 . . . . . . A 33 PHE HE2 . 34106 1 449 . 1 1 33 33 PHE C C 13 178.113 0.016 . . . . . . A 33 PHE C . 34106 1 450 . 1 1 33 33 PHE CA C 13 60.302 0.058 . . . . . . A 33 PHE CA . 34106 1 451 . 1 1 33 33 PHE CB C 13 38.405 0.065 . . . . . . A 33 PHE CB . 34106 1 452 . 1 1 33 33 PHE CD1 C 13 131.539 0.014 . . . . . . A 33 PHE CD1 . 34106 1 453 . 1 1 33 33 PHE CD2 C 13 131.539 0.014 . . . . . . A 33 PHE CD2 . 34106 1 454 . 1 1 33 33 PHE CE1 C 13 131.518 0.000 . . . . . . A 33 PHE CE1 . 34106 1 455 . 1 1 33 33 PHE CE2 C 13 131.518 0.000 . . . . . . A 33 PHE CE2 . 34106 1 456 . 1 1 33 33 PHE N N 15 126.523 0.025 . . . . . . A 33 PHE N . 34106 1 457 . 1 1 34 34 LYS H H 1 8.165 0.008 . . . . . . A 34 LYS H . 34106 1 458 . 1 1 34 34 LYS HA H 1 3.513 0.000 . . . . . . A 34 LYS HA . 34106 1 459 . 1 1 34 34 LYS HB2 H 1 1.839 0.001 . . . . . . A 34 LYS HB2 . 34106 1 460 . 1 1 34 34 LYS HB3 H 1 1.801 0.001 . . . . . . A 34 LYS HB3 . 34106 1 461 . 1 1 34 34 LYS HG2 H 1 1.422 0.002 . . . . . . A 34 LYS HG2 . 34106 1 462 . 1 1 34 34 LYS HG3 H 1 1.614 0.004 . . . . . . A 34 LYS HG3 . 34106 1 463 . 1 1 34 34 LYS HD2 H 1 1.589 0.029 . . . . . . A 34 LYS HD2 . 34106 1 464 . 1 1 34 34 LYS HD3 H 1 1.602 0.002 . . . . . . A 34 LYS HD3 . 34106 1 465 . 1 1 34 34 LYS HE2 H 1 2.922 0.000 . . . . . . A 34 LYS HE2 . 34106 1 466 . 1 1 34 34 LYS HE3 H 1 2.922 0.000 . . . . . . A 34 LYS HE3 . 34106 1 467 . 1 1 34 34 LYS C C 13 177.849 0.002 . . . . . . A 34 LYS C . 34106 1 468 . 1 1 34 34 LYS CA C 13 59.064 0.020 . . . . . . A 34 LYS CA . 34106 1 469 . 1 1 34 34 LYS CB C 13 31.958 0.039 . . . . . . A 34 LYS CB . 34106 1 470 . 1 1 34 34 LYS CG C 13 25.466 0.065 . . . . . . A 34 LYS CG . 34106 1 471 . 1 1 34 34 LYS CD C 13 28.953 0.052 . . . . . . A 34 LYS CD . 34106 1 472 . 1 1 34 34 LYS CE C 13 42.098 0.007 . . . . . . A 34 LYS CE . 34106 1 473 . 1 1 34 34 LYS N N 15 120.167 0.068 . . . . . . A 34 LYS N . 34106 1 474 . 1 1 35 35 LYS H H 1 7.195 0.010 . . . . . . A 35 LYS H . 34106 1 475 . 1 1 35 35 LYS HA H 1 4.340 0.003 . . . . . . A 35 LYS HA . 34106 1 476 . 1 1 35 35 LYS HB2 H 1 1.976 0.003 . . . . . . A 35 LYS HB2 . 34106 1 477 . 1 1 35 35 LYS HB3 H 1 1.976 0.003 . . . . . . A 35 LYS HB3 . 34106 1 478 . 1 1 35 35 LYS HG2 H 1 1.518 0.006 . . . . . . A 35 LYS HG2 . 34106 1 479 . 1 1 35 35 LYS HG3 H 1 1.591 0.003 . . . . . . A 35 LYS HG3 . 34106 1 480 . 1 1 35 35 LYS HD2 H 1 1.662 0.003 . . . . . . A 35 LYS HD2 . 34106 1 481 . 1 1 35 35 LYS HD3 H 1 1.972 0.000 . . . . . . A 35 LYS HD3 . 34106 1 482 . 1 1 35 35 LYS HE2 H 1 2.892 0.003 . . . . . . A 35 LYS HE2 . 34106 1 483 . 1 1 35 35 LYS HE3 H 1 2.889 0.000 . . . . . . A 35 LYS HE3 . 34106 1 484 . 1 1 35 35 LYS C C 13 177.495 0.002 . . . . . . A 35 LYS C . 34106 1 485 . 1 1 35 35 LYS CA C 13 56.807 0.050 . . . . . . A 35 LYS CA . 34106 1 486 . 1 1 35 35 LYS CB C 13 34.310 0.120 . . . . . . A 35 LYS CB . 34106 1 487 . 1 1 35 35 LYS CG C 13 24.899 0.125 . . . . . . A 35 LYS CG . 34106 1 488 . 1 1 35 35 LYS CD C 13 28.436 0.113 . . . . . . A 35 LYS CD . 34106 1 489 . 1 1 35 35 LYS CE C 13 41.986 0.016 . . . . . . A 35 LYS CE . 34106 1 490 . 1 1 35 35 LYS N N 15 114.361 0.036 . . . . . . A 35 LYS N . 34106 1 491 . 1 1 36 36 THR H H 1 7.979 0.007 . . . . . . A 36 THR H . 34106 1 492 . 1 1 36 36 THR HA H 1 4.455 0.003 . . . . . . A 36 THR HA . 34106 1 493 . 1 1 36 36 THR HB H 1 4.183 0.002 . . . . . . A 36 THR HB . 34106 1 494 . 1 1 36 36 THR HG21 H 1 1.166 0.001 . . . . . . A 36 THR HG21 . 34106 1 495 . 1 1 36 36 THR HG22 H 1 1.166 0.001 . . . . . . A 36 THR HG22 . 34106 1 496 . 1 1 36 36 THR HG23 H 1 1.166 0.001 . . . . . . A 36 THR HG23 . 34106 1 497 . 1 1 36 36 THR C C 13 175.536 0.002 . . . . . . A 36 THR C . 34106 1 498 . 1 1 36 36 THR CA C 13 62.635 0.028 . . . . . . A 36 THR CA . 34106 1 499 . 1 1 36 36 THR CB C 13 73.168 0.027 . . . . . . A 36 THR CB . 34106 1 500 . 1 1 36 36 THR CG2 C 13 21.503 0.033 . . . . . . A 36 THR CG2 . 34106 1 501 . 1 1 36 36 THR N N 15 106.184 0.043 . . . . . . A 36 THR N . 34106 1 502 . 1 1 37 37 ASN H H 1 8.721 0.008 . . . . . . A 37 ASN H . 34106 1 503 . 1 1 37 37 ASN HA H 1 4.054 0.003 . . . . . . A 37 ASN HA . 34106 1 504 . 1 1 37 37 ASN HB2 H 1 2.727 0.002 . . . . . . A 37 ASN HB2 . 34106 1 505 . 1 1 37 37 ASN HB3 H 1 3.113 0.004 . . . . . . A 37 ASN HB3 . 34106 1 506 . 1 1 37 37 ASN HD21 H 1 7.430 0.003 . . . . . . A 37 ASN HD21 . 34106 1 507 . 1 1 37 37 ASN HD22 H 1 6.669 0.004 . . . . . . A 37 ASN HD22 . 34106 1 508 . 1 1 37 37 ASN C C 13 174.111 0.003 . . . . . . A 37 ASN C . 34106 1 509 . 1 1 37 37 ASN CA C 13 55.014 0.037 . . . . . . A 37 ASN CA . 34106 1 510 . 1 1 37 37 ASN CB C 13 38.680 0.032 . . . . . . A 37 ASN CB . 34106 1 511 . 1 1 37 37 ASN CG C 13 178.332 0.000 . . . . . . A 37 ASN CG . 34106 1 512 . 1 1 37 37 ASN N N 15 118.584 0.038 . . . . . . A 37 ASN N . 34106 1 513 . 1 1 37 37 ASN ND2 N 15 111.912 0.001 . . . . . . A 37 ASN ND2 . 34106 1 514 . 1 1 38 38 ILE H H 1 7.774 0.007 . . . . . . A 38 ILE H . 34106 1 515 . 1 1 38 38 ILE HA H 1 4.018 0.003 . . . . . . A 38 ILE HA . 34106 1 516 . 1 1 38 38 ILE HB H 1 1.520 0.004 . . . . . . A 38 ILE HB . 34106 1 517 . 1 1 38 38 ILE HG12 H 1 1.418 0.001 . . . . . . A 38 ILE HG12 . 34106 1 518 . 1 1 38 38 ILE HG13 H 1 1.418 0.001 . . . . . . A 38 ILE HG13 . 34106 1 519 . 1 1 38 38 ILE HG21 H 1 0.855 0.011 . . . . . . A 38 ILE HG21 . 34106 1 520 . 1 1 38 38 ILE HG22 H 1 0.855 0.011 . . . . . . A 38 ILE HG22 . 34106 1 521 . 1 1 38 38 ILE HG23 H 1 0.855 0.011 . . . . . . A 38 ILE HG23 . 34106 1 522 . 1 1 38 38 ILE HD11 H 1 0.823 0.004 . . . . . . A 38 ILE HD11 . 34106 1 523 . 1 1 38 38 ILE HD12 H 1 0.823 0.004 . . . . . . A 38 ILE HD12 . 34106 1 524 . 1 1 38 38 ILE HD13 H 1 0.823 0.004 . . . . . . A 38 ILE HD13 . 34106 1 525 . 1 1 38 38 ILE C C 13 175.625 0.001 . . . . . . A 38 ILE C . 34106 1 526 . 1 1 38 38 ILE CA C 13 61.989 0.108 . . . . . . A 38 ILE CA . 34106 1 527 . 1 1 38 38 ILE CB C 13 38.215 0.036 . . . . . . A 38 ILE CB . 34106 1 528 . 1 1 38 38 ILE CG1 C 13 27.573 0.020 . . . . . . A 38 ILE CG1 . 34106 1 529 . 1 1 38 38 ILE CG2 C 13 17.748 0.025 . . . . . . A 38 ILE CG2 . 34106 1 530 . 1 1 38 38 ILE CD1 C 13 13.489 0.023 . . . . . . A 38 ILE CD1 . 34106 1 531 . 1 1 38 38 ILE N N 15 120.575 0.096 . . . . . . A 38 ILE N . 34106 1 532 . 1 1 39 39 ASN H H 1 8.969 0.005 . . . . . . A 39 ASN H . 34106 1 533 . 1 1 39 39 ASN HA H 1 3.947 0.004 . . . . . . A 39 ASN HA . 34106 1 534 . 1 1 39 39 ASN HB2 H 1 2.667 0.004 . . . . . . A 39 ASN HB2 . 34106 1 535 . 1 1 39 39 ASN HB3 H 1 2.506 0.002 . . . . . . A 39 ASN HB3 . 34106 1 536 . 1 1 39 39 ASN HD21 H 1 7.605 0.003 . . . . . . A 39 ASN HD21 . 34106 1 537 . 1 1 39 39 ASN HD22 H 1 6.910 0.009 . . . . . . A 39 ASN HD22 . 34106 1 538 . 1 1 39 39 ASN C C 13 176.974 0.003 . . . . . . A 39 ASN C . 34106 1 539 . 1 1 39 39 ASN CA C 13 54.265 0.095 . . . . . . A 39 ASN CA . 34106 1 540 . 1 1 39 39 ASN CB C 13 38.620 0.010 . . . . . . A 39 ASN CB . 34106 1 541 . 1 1 39 39 ASN CG C 13 175.992 0.001 . . . . . . A 39 ASN CG . 34106 1 542 . 1 1 39 39 ASN N N 15 128.023 0.108 . . . . . . A 39 ASN N . 34106 1 543 . 1 1 39 39 ASN ND2 N 15 114.371 0.175 . . . . . . A 39 ASN ND2 . 34106 1 544 . 1 1 40 40 VAL H H 1 8.201 0.004 . . . . . . A 40 VAL H . 34106 1 545 . 1 1 40 40 VAL HA H 1 3.485 0.003 . . . . . . A 40 VAL HA . 34106 1 546 . 1 1 40 40 VAL HB H 1 1.714 0.004 . . . . . . A 40 VAL HB . 34106 1 547 . 1 1 40 40 VAL HG11 H 1 0.739 0.011 . . . . . . A 40 VAL HG11 . 34106 1 548 . 1 1 40 40 VAL HG12 H 1 0.739 0.011 . . . . . . A 40 VAL HG12 . 34106 1 549 . 1 1 40 40 VAL HG13 H 1 0.739 0.011 . . . . . . A 40 VAL HG13 . 34106 1 550 . 1 1 40 40 VAL HG21 H 1 0.715 0.011 . . . . . . A 40 VAL HG21 . 34106 1 551 . 1 1 40 40 VAL HG22 H 1 0.715 0.011 . . . . . . A 40 VAL HG22 . 34106 1 552 . 1 1 40 40 VAL HG23 H 1 0.715 0.011 . . . . . . A 40 VAL HG23 . 34106 1 553 . 1 1 40 40 VAL C C 13 179.331 0.000 . . . . . . A 40 VAL C . 34106 1 554 . 1 1 40 40 VAL CA C 13 66.900 0.087 . . . . . . A 40 VAL CA . 34106 1 555 . 1 1 40 40 VAL CB C 13 31.759 0.036 . . . . . . A 40 VAL CB . 34106 1 556 . 1 1 40 40 VAL CG1 C 13 21.480 0.154 . . . . . . A 40 VAL CG1 . 34106 1 557 . 1 1 40 40 VAL CG2 C 13 20.835 0.000 . . . . . . A 40 VAL CG2 . 34106 1 558 . 1 1 40 40 VAL N N 15 122.880 0.057 . . . . . . A 40 VAL N . 34106 1 559 . 1 1 41 41 LYS H H 1 8.444 0.004 . . . . . . A 41 LYS H . 34106 1 560 . 1 1 41 41 LYS HA H 1 3.968 0.003 . . . . . . A 41 LYS HA . 34106 1 561 . 1 1 41 41 LYS HB2 H 1 1.602 0.004 . . . . . . A 41 LYS HB2 . 34106 1 562 . 1 1 41 41 LYS HB3 H 1 1.718 0.006 . . . . . . A 41 LYS HB3 . 34106 1 563 . 1 1 41 41 LYS HG2 H 1 1.144 0.006 . . . . . . A 41 LYS HG2 . 34106 1 564 . 1 1 41 41 LYS HG3 H 1 1.273 0.001 . . . . . . A 41 LYS HG3 . 34106 1 565 . 1 1 41 41 LYS HD2 H 1 1.522 0.000 . . . . . . A 41 LYS HD2 . 34106 1 566 . 1 1 41 41 LYS HD3 H 1 1.522 0.000 . . . . . . A 41 LYS HD3 . 34106 1 567 . 1 1 41 41 LYS HE2 H 1 2.896 0.000 . . . . . . A 41 LYS HE2 . 34106 1 568 . 1 1 41 41 LYS HE3 H 1 2.842 0.024 . . . . . . A 41 LYS HE3 . 34106 1 569 . 1 1 41 41 LYS C C 13 176.060 0.004 . . . . . . A 41 LYS C . 34106 1 570 . 1 1 41 41 LYS CA C 13 58.224 0.057 . . . . . . A 41 LYS CA . 34106 1 571 . 1 1 41 41 LYS CB C 13 31.659 0.117 . . . . . . A 41 LYS CB . 34106 1 572 . 1 1 41 41 LYS CG C 13 24.214 0.084 . . . . . . A 41 LYS CG . 34106 1 573 . 1 1 41 41 LYS CD C 13 29.047 0.005 . . . . . . A 41 LYS CD . 34106 1 574 . 1 1 41 41 LYS CE C 13 42.043 0.012 . . . . . . A 41 LYS CE . 34106 1 575 . 1 1 41 41 LYS N N 15 116.992 0.047 . . . . . . A 41 LYS N . 34106 1 576 . 1 1 42 42 ASP H H 1 7.503 0.008 . . . . . . A 42 ASP H . 34106 1 577 . 1 1 42 42 ASP HA H 1 4.721 0.001 . . . . . . A 42 ASP HA . 34106 1 578 . 1 1 42 42 ASP HB2 H 1 2.543 0.003 . . . . . . A 42 ASP HB2 . 34106 1 579 . 1 1 42 42 ASP HB3 H 1 2.871 0.003 . . . . . . A 42 ASP HB3 . 34106 1 580 . 1 1 42 42 ASP C C 13 175.133 0.005 . . . . . . A 42 ASP C . 34106 1 581 . 1 1 42 42 ASP CA C 13 54.456 0.013 . . . . . . A 42 ASP CA . 34106 1 582 . 1 1 42 42 ASP CB C 13 42.070 0.058 . . . . . . A 42 ASP CB . 34106 1 583 . 1 1 42 42 ASP N N 15 118.093 0.040 . . . . . . A 42 ASP N . 34106 1 584 . 1 1 43 43 GLN H H 1 7.170 0.009 . . . . . . A 43 GLN H . 34106 1 585 . 1 1 43 43 GLN HA H 1 4.149 0.006 . . . . . . A 43 GLN HA . 34106 1 586 . 1 1 43 43 GLN HB2 H 1 1.803 0.006 . . . . . . A 43 GLN HB2 . 34106 1 587 . 1 1 43 43 GLN HB3 H 1 1.803 0.006 . . . . . . A 43 GLN HB3 . 34106 1 588 . 1 1 43 43 GLN HG2 H 1 2.546 0.006 . . . . . . A 43 GLN HG2 . 34106 1 589 . 1 1 43 43 GLN HG3 H 1 2.546 0.006 . . . . . . A 43 GLN HG3 . 34106 1 590 . 1 1 43 43 GLN HE21 H 1 6.387 0.001 . . . . . . A 43 GLN HE21 . 34106 1 591 . 1 1 43 43 GLN HE22 H 1 6.332 0.000 . . . . . . A 43 GLN HE22 . 34106 1 592 . 1 1 43 43 GLN C C 13 175.918 0.004 . . . . . . A 43 GLN C . 34106 1 593 . 1 1 43 43 GLN CA C 13 56.499 0.008 . . . . . . A 43 GLN CA . 34106 1 594 . 1 1 43 43 GLN CB C 13 31.733 0.091 . . . . . . A 43 GLN CB . 34106 1 595 . 1 1 43 43 GLN CG C 13 33.345 0.087 . . . . . . A 43 GLN CG . 34106 1 596 . 1 1 43 43 GLN CD C 13 175.166 0.001 . . . . . . A 43 GLN CD . 34106 1 597 . 1 1 43 43 GLN N N 15 118.409 0.055 . . . . . . A 43 GLN N . 34106 1 598 . 1 1 43 43 GLN NE2 N 15 103.706 0.010 . . . . . . A 43 GLN NE2 . 34106 1 599 . 1 1 44 44 SER H H 1 8.502 0.003 . . . . . . A 44 SER H . 34106 1 600 . 1 1 44 44 SER HA H 1 4.564 0.004 . . . . . . A 44 SER HA . 34106 1 601 . 1 1 44 44 SER HB2 H 1 3.590 0.002 . . . . . . A 44 SER HB2 . 34106 1 602 . 1 1 44 44 SER HB3 H 1 3.590 0.002 . . . . . . A 44 SER HB3 . 34106 1 603 . 1 1 44 44 SER C C 13 173.229 0.003 . . . . . . A 44 SER C . 34106 1 604 . 1 1 44 44 SER CA C 13 56.679 0.030 . . . . . . A 44 SER CA . 34106 1 605 . 1 1 44 44 SER CB C 13 63.621 0.008 . . . . . . A 44 SER CB . 34106 1 606 . 1 1 44 44 SER N N 15 118.999 0.036 . . . . . . A 44 SER N . 34106 1 607 . 1 1 45 45 LEU H H 1 8.451 0.006 . . . . . . A 45 LEU H . 34106 1 608 . 1 1 45 45 LEU HA H 1 5.195 0.003 . . . . . . A 45 LEU HA . 34106 1 609 . 1 1 45 45 LEU HB2 H 1 1.177 0.005 . . . . . . A 45 LEU HB2 . 34106 1 610 . 1 1 45 45 LEU HB3 H 1 1.262 0.003 . . . . . . A 45 LEU HB3 . 34106 1 611 . 1 1 45 45 LEU HG H 1 1.277 0.000 . . . . . . A 45 LEU HG . 34106 1 612 . 1 1 45 45 LEU HD11 H 1 0.617 0.000 . . . . . . A 45 LEU HD11 . 34106 1 613 . 1 1 45 45 LEU HD12 H 1 0.617 0.000 . . . . . . A 45 LEU HD12 . 34106 1 614 . 1 1 45 45 LEU HD13 H 1 0.617 0.000 . . . . . . A 45 LEU HD13 . 34106 1 615 . 1 1 45 45 LEU HD21 H 1 0.641 0.000 . . . . . . A 45 LEU HD21 . 34106 1 616 . 1 1 45 45 LEU HD22 H 1 0.641 0.000 . . . . . . A 45 LEU HD22 . 34106 1 617 . 1 1 45 45 LEU HD23 H 1 0.641 0.000 . . . . . . A 45 LEU HD23 . 34106 1 618 . 1 1 45 45 LEU C C 13 174.936 0.004 . . . . . . A 45 LEU C . 34106 1 619 . 1 1 45 45 LEU CA C 13 52.717 0.038 . . . . . . A 45 LEU CA . 34106 1 620 . 1 1 45 45 LEU CB C 13 46.132 0.040 . . . . . . A 45 LEU CB . 34106 1 621 . 1 1 45 45 LEU CG C 13 26.799 0.035 . . . . . . A 45 LEU CG . 34106 1 622 . 1 1 45 45 LEU CD1 C 13 25.984 0.051 . . . . . . A 45 LEU CD1 . 34106 1 623 . 1 1 45 45 LEU CD2 C 13 24.826 0.040 . . . . . . A 45 LEU CD2 . 34106 1 624 . 1 1 45 45 LEU N N 15 127.540 0.025 . . . . . . A 45 LEU N . 34106 1 625 . 1 1 46 46 LYS H H 1 9.154 0.006 . . . . . . A 46 LYS H . 34106 1 626 . 1 1 46 46 LYS HA H 1 5.027 0.004 . . . . . . A 46 LYS HA . 34106 1 627 . 1 1 46 46 LYS HB2 H 1 1.608 0.003 . . . . . . A 46 LYS HB2 . 34106 1 628 . 1 1 46 46 LYS HB3 H 1 1.269 0.005 . . . . . . A 46 LYS HB3 . 34106 1 629 . 1 1 46 46 LYS HG2 H 1 0.811 0.002 . . . . . . A 46 LYS HG2 . 34106 1 630 . 1 1 46 46 LYS HG3 H 1 1.220 0.003 . . . . . . A 46 LYS HG3 . 34106 1 631 . 1 1 46 46 LYS HD2 H 1 1.444 0.040 . . . . . . A 46 LYS HD2 . 34106 1 632 . 1 1 46 46 LYS HD3 H 1 1.457 0.047 . . . . . . A 46 LYS HD3 . 34106 1 633 . 1 1 46 46 LYS HE2 H 1 2.808 0.000 . . . . . . A 46 LYS HE2 . 34106 1 634 . 1 1 46 46 LYS HE3 H 1 2.808 0.000 . . . . . . A 46 LYS HE3 . 34106 1 635 . 1 1 46 46 LYS C C 13 175.132 0.004 . . . . . . A 46 LYS C . 34106 1 636 . 1 1 46 46 LYS CA C 13 54.383 0.039 . . . . . . A 46 LYS CA . 34106 1 637 . 1 1 46 46 LYS CB C 13 37.303 0.064 . . . . . . A 46 LYS CB . 34106 1 638 . 1 1 46 46 LYS CG C 13 25.469 0.033 . . . . . . A 46 LYS CG . 34106 1 639 . 1 1 46 46 LYS CD C 13 29.318 0.009 . . . . . . A 46 LYS CD . 34106 1 640 . 1 1 46 46 LYS CE C 13 42.221 0.008 . . . . . . A 46 LYS CE . 34106 1 641 . 1 1 46 46 LYS N N 15 121.521 0.038 . . . . . . A 46 LYS N . 34106 1 642 . 1 1 47 47 PHE H H 1 8.509 0.009 . . . . . . A 47 PHE H . 34106 1 643 . 1 1 47 47 PHE HA H 1 5.104 0.003 . . . . . . A 47 PHE HA . 34106 1 644 . 1 1 47 47 PHE HB2 H 1 2.626 0.002 . . . . . . A 47 PHE HB2 . 34106 1 645 . 1 1 47 47 PHE HB3 H 1 3.269 0.003 . . . . . . A 47 PHE HB3 . 34106 1 646 . 1 1 47 47 PHE HD1 H 1 7.339 0.005 . . . . . . A 47 PHE HD1 . 34106 1 647 . 1 1 47 47 PHE HD2 H 1 7.339 0.005 . . . . . . A 47 PHE HD2 . 34106 1 648 . 1 1 47 47 PHE HE1 H 1 7.338 0.000 . . . . . . A 47 PHE HE1 . 34106 1 649 . 1 1 47 47 PHE HE2 H 1 7.338 0.000 . . . . . . A 47 PHE HE2 . 34106 1 650 . 1 1 47 47 PHE C C 13 175.559 0.006 . . . . . . A 47 PHE C . 34106 1 651 . 1 1 47 47 PHE CA C 13 56.054 0.022 . . . . . . A 47 PHE CA . 34106 1 652 . 1 1 47 47 PHE CB C 13 41.631 0.056 . . . . . . A 47 PHE CB . 34106 1 653 . 1 1 47 47 PHE CD1 C 13 130.871 0.000 . . . . . . A 47 PHE CD1 . 34106 1 654 . 1 1 47 47 PHE CD2 C 13 130.871 0.000 . . . . . . A 47 PHE CD2 . 34106 1 655 . 1 1 47 47 PHE CE1 C 13 131.008 0.000 . . . . . . A 47 PHE CE1 . 34106 1 656 . 1 1 47 47 PHE CE2 C 13 131.008 0.000 . . . . . . A 47 PHE CE2 . 34106 1 657 . 1 1 47 47 PHE N N 15 120.260 0.061 . . . . . . A 47 PHE N . 34106 1 658 . 1 1 48 48 ALA H H 1 9.174 0.007 . . . . . . A 48 ALA H . 34106 1 659 . 1 1 48 48 ALA HA H 1 3.671 0.003 . . . . . . A 48 ALA HA . 34106 1 660 . 1 1 48 48 ALA HB1 H 1 0.910 0.004 . . . . . . A 48 ALA HB1 . 34106 1 661 . 1 1 48 48 ALA HB2 H 1 0.910 0.004 . . . . . . A 48 ALA HB2 . 34106 1 662 . 1 1 48 48 ALA HB3 H 1 0.910 0.004 . . . . . . A 48 ALA HB3 . 34106 1 663 . 1 1 48 48 ALA C C 13 176.796 0.006 . . . . . . A 48 ALA C . 34106 1 664 . 1 1 48 48 ALA CA C 13 52.682 0.008 . . . . . . A 48 ALA CA . 34106 1 665 . 1 1 48 48 ALA CB C 13 16.614 0.016 . . . . . . A 48 ALA CB . 34106 1 666 . 1 1 48 48 ALA N N 15 133.477 0.074 . . . . . . A 48 ALA N . 34106 1 667 . 1 1 49 49 GLY H H 1 8.537 0.003 . . . . . . A 49 GLY H . 34106 1 668 . 1 1 49 49 GLY HA2 H 1 4.065 0.002 . . . . . . A 49 GLY HA2 . 34106 1 669 . 1 1 49 49 GLY HA3 H 1 3.350 0.002 . . . . . . A 49 GLY HA3 . 34106 1 670 . 1 1 49 49 GLY C C 13 173.637 0.003 . . . . . . A 49 GLY C . 34106 1 671 . 1 1 49 49 GLY CA C 13 45.081 0.031 . . . . . . A 49 GLY CA . 34106 1 672 . 1 1 49 49 GLY N N 15 102.442 0.058 . . . . . . A 49 GLY N . 34106 1 673 . 1 1 50 50 ASN H H 1 7.842 0.003 . . . . . . A 50 ASN H . 34106 1 674 . 1 1 50 50 ASN HA H 1 4.966 0.003 . . . . . . A 50 ASN HA . 34106 1 675 . 1 1 50 50 ASN HB2 H 1 2.696 0.001 . . . . . . A 50 ASN HB2 . 34106 1 676 . 1 1 50 50 ASN HB3 H 1 2.814 0.004 . . . . . . A 50 ASN HB3 . 34106 1 677 . 1 1 50 50 ASN HD21 H 1 7.634 0.005 . . . . . . A 50 ASN HD21 . 34106 1 678 . 1 1 50 50 ASN HD22 H 1 6.980 0.022 . . . . . . A 50 ASN HD22 . 34106 1 679 . 1 1 50 50 ASN C C 13 174.261 0.005 . . . . . . A 50 ASN C . 34106 1 680 . 1 1 50 50 ASN CA C 13 52.038 0.015 . . . . . . A 50 ASN CA . 34106 1 681 . 1 1 50 50 ASN CB C 13 40.966 0.018 . . . . . . A 50 ASN CB . 34106 1 682 . 1 1 50 50 ASN CG C 13 176.516 0.000 . . . . . . A 50 ASN CG . 34106 1 683 . 1 1 50 50 ASN N N 15 118.570 0.019 . . . . . . A 50 ASN N . 34106 1 684 . 1 1 50 50 ASN ND2 N 15 114.958 0.119 . . . . . . A 50 ASN ND2 . 34106 1 685 . 1 1 51 51 GLU H H 1 8.857 0.005 . . . . . . A 51 GLU H . 34106 1 686 . 1 1 51 51 GLU HA H 1 4.106 0.004 . . . . . . A 51 GLU HA . 34106 1 687 . 1 1 51 51 GLU HB2 H 1 1.844 0.000 . . . . . . A 51 GLU HB2 . 34106 1 688 . 1 1 51 51 GLU HB3 H 1 1.844 0.000 . . . . . . A 51 GLU HB3 . 34106 1 689 . 1 1 51 51 GLU HG2 H 1 2.154 0.000 . . . . . . A 51 GLU HG2 . 34106 1 690 . 1 1 51 51 GLU HG3 H 1 2.154 0.000 . . . . . . A 51 GLU HG3 . 34106 1 691 . 1 1 51 51 GLU C C 13 175.953 0.008 . . . . . . A 51 GLU C . 34106 1 692 . 1 1 51 51 GLU CA C 13 57.215 0.023 . . . . . . A 51 GLU CA . 34106 1 693 . 1 1 51 51 GLU CB C 13 29.537 0.008 . . . . . . A 51 GLU CB . 34106 1 694 . 1 1 51 51 GLU CG C 13 35.662 0.005 . . . . . . A 51 GLU CG . 34106 1 695 . 1 1 51 51 GLU N N 15 124.650 0.113 . . . . . . A 51 GLU N . 34106 1 696 . 1 1 52 52 MET H H 1 8.781 0.003 . . . . . . A 52 MET H . 34106 1 697 . 1 1 52 52 MET HA H 1 4.291 0.006 . . . . . . A 52 MET HA . 34106 1 698 . 1 1 52 52 MET HB2 H 1 1.578 0.003 . . . . . . A 52 MET HB2 . 34106 1 699 . 1 1 52 52 MET HB3 H 1 1.554 0.006 . . . . . . A 52 MET HB3 . 34106 1 700 . 1 1 52 52 MET HG2 H 1 1.090 0.000 . . . . . . A 52 MET HG2 . 34106 1 701 . 1 1 52 52 MET HG3 H 1 2.435 0.001 . . . . . . A 52 MET HG3 . 34106 1 702 . 1 1 52 52 MET HE1 H 1 1.616 0.000 . . . . . . A 52 MET HE1 . 34106 1 703 . 1 1 52 52 MET HE2 H 1 1.616 0.000 . . . . . . A 52 MET HE2 . 34106 1 704 . 1 1 52 52 MET HE3 H 1 1.616 0.000 . . . . . . A 52 MET HE3 . 34106 1 705 . 1 1 52 52 MET C C 13 175.521 0.002 . . . . . . A 52 MET C . 34106 1 706 . 1 1 52 52 MET CA C 13 55.849 0.028 . . . . . . A 52 MET CA . 34106 1 707 . 1 1 52 52 MET CB C 13 36.694 0.052 . . . . . . A 52 MET CB . 34106 1 708 . 1 1 52 52 MET CG C 13 33.022 0.035 . . . . . . A 52 MET CG . 34106 1 709 . 1 1 52 52 MET CE C 13 18.001 0.179 . . . . . . A 52 MET CE . 34106 1 710 . 1 1 52 52 MET N N 15 126.462 0.043 . . . . . . A 52 MET N . 34106 1 711 . 1 1 53 53 ILE H H 1 8.042 0.013 . . . . . . A 53 ILE H . 34106 1 712 . 1 1 53 53 ILE HA H 1 4.133 0.006 . . . . . . A 53 ILE HA . 34106 1 713 . 1 1 53 53 ILE HB H 1 1.815 0.004 . . . . . . A 53 ILE HB . 34106 1 714 . 1 1 53 53 ILE HG12 H 1 1.514 0.005 . . . . . . A 53 ILE HG12 . 34106 1 715 . 1 1 53 53 ILE HG13 H 1 1.303 0.005 . . . . . . A 53 ILE HG13 . 34106 1 716 . 1 1 53 53 ILE HG21 H 1 0.997 0.004 . . . . . . A 53 ILE HG21 . 34106 1 717 . 1 1 53 53 ILE HG22 H 1 0.997 0.004 . . . . . . A 53 ILE HG22 . 34106 1 718 . 1 1 53 53 ILE HG23 H 1 0.997 0.004 . . . . . . A 53 ILE HG23 . 34106 1 719 . 1 1 53 53 ILE HD11 H 1 0.815 0.004 . . . . . . A 53 ILE HD11 . 34106 1 720 . 1 1 53 53 ILE HD12 H 1 0.815 0.004 . . . . . . A 53 ILE HD12 . 34106 1 721 . 1 1 53 53 ILE HD13 H 1 0.815 0.004 . . . . . . A 53 ILE HD13 . 34106 1 722 . 1 1 53 53 ILE C C 13 176.756 0.001 . . . . . . A 53 ILE C . 34106 1 723 . 1 1 53 53 ILE CA C 13 60.547 0.103 . . . . . . A 53 ILE CA . 34106 1 724 . 1 1 53 53 ILE CB C 13 38.750 0.062 . . . . . . A 53 ILE CB . 34106 1 725 . 1 1 53 53 ILE CG1 C 13 27.387 0.113 . . . . . . A 53 ILE CG1 . 34106 1 726 . 1 1 53 53 ILE CG2 C 13 17.884 0.013 . . . . . . A 53 ILE CG2 . 34106 1 727 . 1 1 53 53 ILE CD1 C 13 12.098 0.007 . . . . . . A 53 ILE CD1 . 34106 1 728 . 1 1 53 53 ILE N N 15 123.670 0.058 . . . . . . A 53 ILE N . 34106 1 729 . 1 1 54 54 ASN H H 1 8.431 0.004 . . . . . . A 54 ASN H . 34106 1 730 . 1 1 54 54 ASN HA H 1 4.218 0.006 . . . . . . A 54 ASN HA . 34106 1 731 . 1 1 54 54 ASN HB2 H 1 2.513 0.002 . . . . . . A 54 ASN HB2 . 34106 1 732 . 1 1 54 54 ASN HB3 H 1 2.847 0.003 . . . . . . A 54 ASN HB3 . 34106 1 733 . 1 1 54 54 ASN HD21 H 1 7.655 0.003 . . . . . . A 54 ASN HD21 . 34106 1 734 . 1 1 54 54 ASN HD22 H 1 6.974 0.005 . . . . . . A 54 ASN HD22 . 34106 1 735 . 1 1 54 54 ASN C C 13 176.270 0.004 . . . . . . A 54 ASN C . 34106 1 736 . 1 1 54 54 ASN CA C 13 56.153 0.097 . . . . . . A 54 ASN CA . 34106 1 737 . 1 1 54 54 ASN CB C 13 38.584 0.050 . . . . . . A 54 ASN CB . 34106 1 738 . 1 1 54 54 ASN CG C 13 174.843 0.002 . . . . . . A 54 ASN CG . 34106 1 739 . 1 1 54 54 ASN N N 15 123.645 0.087 . . . . . . A 54 ASN N . 34106 1 740 . 1 1 54 54 ASN ND2 N 15 109.249 0.014 . . . . . . A 54 ASN ND2 . 34106 1 741 . 1 1 55 55 GLN H H 1 7.851 0.006 . . . . . . A 55 GLN H . 34106 1 742 . 1 1 55 55 GLN HA H 1 4.251 0.003 . . . . . . A 55 GLN HA . 34106 1 743 . 1 1 55 55 GLN HB2 H 1 1.941 0.005 . . . . . . A 55 GLN HB2 . 34106 1 744 . 1 1 55 55 GLN HB3 H 1 2.221 0.003 . . . . . . A 55 GLN HB3 . 34106 1 745 . 1 1 55 55 GLN HG2 H 1 2.374 0.004 . . . . . . A 55 GLN HG2 . 34106 1 746 . 1 1 55 55 GLN HG3 H 1 2.374 0.004 . . . . . . A 55 GLN HG3 . 34106 1 747 . 1 1 55 55 GLN HE21 H 1 7.560 0.010 . . . . . . A 55 GLN HE21 . 34106 1 748 . 1 1 55 55 GLN HE22 H 1 6.937 0.005 . . . . . . A 55 GLN HE22 . 34106 1 749 . 1 1 55 55 GLN C C 13 176.593 0.002 . . . . . . A 55 GLN C . 34106 1 750 . 1 1 55 55 GLN CA C 13 57.007 0.071 . . . . . . A 55 GLN CA . 34106 1 751 . 1 1 55 55 GLN CB C 13 28.352 0.096 . . . . . . A 55 GLN CB . 34106 1 752 . 1 1 55 55 GLN CG C 13 33.932 0.021 . . . . . . A 55 GLN CG . 34106 1 753 . 1 1 55 55 GLN CD C 13 180.638 0.004 . . . . . . A 55 GLN CD . 34106 1 754 . 1 1 55 55 GLN N N 15 113.080 0.038 . . . . . . A 55 GLN N . 34106 1 755 . 1 1 55 55 GLN NE2 N 15 112.675 0.059 . . . . . . A 55 GLN NE2 . 34106 1 756 . 1 1 56 56 LYS H H 1 7.578 0.008 . . . . . . A 56 LYS H . 34106 1 757 . 1 1 56 56 LYS HA H 1 4.428 0.005 . . . . . . A 56 LYS HA . 34106 1 758 . 1 1 56 56 LYS HB2 H 1 2.212 0.003 . . . . . . A 56 LYS HB2 . 34106 1 759 . 1 1 56 56 LYS HB3 H 1 2.120 0.003 . . . . . . A 56 LYS HB3 . 34106 1 760 . 1 1 56 56 LYS HG2 H 1 1.332 0.006 . . . . . . A 56 LYS HG2 . 34106 1 761 . 1 1 56 56 LYS HG3 H 1 1.458 0.004 . . . . . . A 56 LYS HG3 . 34106 1 762 . 1 1 56 56 LYS HD2 H 1 1.622 0.003 . . . . . . A 56 LYS HD2 . 34106 1 763 . 1 1 56 56 LYS HD3 H 1 1.622 0.003 . . . . . . A 56 LYS HD3 . 34106 1 764 . 1 1 56 56 LYS HE2 H 1 2.719 0.003 . . . . . . A 56 LYS HE2 . 34106 1 765 . 1 1 56 56 LYS HE3 H 1 2.719 0.003 . . . . . . A 56 LYS HE3 . 34106 1 766 . 1 1 56 56 LYS C C 13 175.211 0.002 . . . . . . A 56 LYS C . 34106 1 767 . 1 1 56 56 LYS CA C 13 56.304 0.084 . . . . . . A 56 LYS CA . 34106 1 768 . 1 1 56 56 LYS CB C 13 34.353 0.036 . . . . . . A 56 LYS CB . 34106 1 769 . 1 1 56 56 LYS CG C 13 26.883 0.050 . . . . . . A 56 LYS CG . 34106 1 770 . 1 1 56 56 LYS CD C 13 28.898 0.077 . . . . . . A 56 LYS CD . 34106 1 771 . 1 1 56 56 LYS CE C 13 42.399 0.109 . . . . . . A 56 LYS CE . 34106 1 772 . 1 1 56 56 LYS N N 15 119.765 0.095 . . . . . . A 56 LYS N . 34106 1 773 . 1 1 57 57 THR H H 1 8.911 0.007 . . . . . . A 57 THR H . 34106 1 774 . 1 1 57 57 THR HA H 1 5.265 0.002 . . . . . . A 57 THR HA . 34106 1 775 . 1 1 57 57 THR HB H 1 4.568 0.003 . . . . . . A 57 THR HB . 34106 1 776 . 1 1 57 57 THR HG21 H 1 1.068 0.003 . . . . . . A 57 THR HG21 . 34106 1 777 . 1 1 57 57 THR HG22 H 1 1.068 0.003 . . . . . . A 57 THR HG22 . 34106 1 778 . 1 1 57 57 THR HG23 H 1 1.068 0.003 . . . . . . A 57 THR HG23 . 34106 1 779 . 1 1 57 57 THR C C 13 177.105 0.004 . . . . . . A 57 THR C . 34106 1 780 . 1 1 57 57 THR CA C 13 59.760 0.057 . . . . . . A 57 THR CA . 34106 1 781 . 1 1 57 57 THR CB C 13 72.187 0.006 . . . . . . A 57 THR CB . 34106 1 782 . 1 1 57 57 THR CG2 C 13 22.323 0.023 . . . . . . A 57 THR CG2 . 34106 1 783 . 1 1 57 57 THR N N 15 108.485 0.031 . . . . . . A 57 THR N . 34106 1 784 . 1 1 58 58 LEU H H 1 8.193 0.008 . . . . . . A 58 LEU H . 34106 1 785 . 1 1 58 58 LEU HA H 1 3.919 0.012 . . . . . . A 58 LEU HA . 34106 1 786 . 1 1 58 58 LEU HB2 H 1 1.383 0.002 . . . . . . A 58 LEU HB2 . 34106 1 787 . 1 1 58 58 LEU HB3 H 1 1.920 0.004 . . . . . . A 58 LEU HB3 . 34106 1 788 . 1 1 58 58 LEU HG H 1 1.568 0.002 . . . . . . A 58 LEU HG . 34106 1 789 . 1 1 58 58 LEU HD11 H 1 0.746 0.000 . . . . . . A 58 LEU HD11 . 34106 1 790 . 1 1 58 58 LEU HD12 H 1 0.746 0.000 . . . . . . A 58 LEU HD12 . 34106 1 791 . 1 1 58 58 LEU HD13 H 1 0.746 0.000 . . . . . . A 58 LEU HD13 . 34106 1 792 . 1 1 58 58 LEU HD21 H 1 0.491 0.000 . . . . . . A 58 LEU HD21 . 34106 1 793 . 1 1 58 58 LEU HD22 H 1 0.491 0.000 . . . . . . A 58 LEU HD22 . 34106 1 794 . 1 1 58 58 LEU HD23 H 1 0.491 0.000 . . . . . . A 58 LEU HD23 . 34106 1 795 . 1 1 58 58 LEU C C 13 180.806 0.001 . . . . . . A 58 LEU C . 34106 1 796 . 1 1 58 58 LEU CA C 13 58.796 0.061 . . . . . . A 58 LEU CA . 34106 1 797 . 1 1 58 58 LEU CB C 13 39.836 0.009 . . . . . . A 58 LEU CB . 34106 1 798 . 1 1 58 58 LEU CG C 13 26.818 0.007 . . . . . . A 58 LEU CG . 34106 1 799 . 1 1 58 58 LEU N N 15 119.798 0.050 . . . . . . A 58 LEU N . 34106 1 800 . 1 1 59 59 SER H H 1 8.614 0.003 . . . . . . A 59 SER H . 34106 1 801 . 1 1 59 59 SER HA H 1 3.822 0.003 . . . . . . A 59 SER HA . 34106 1 802 . 1 1 59 59 SER HB2 H 1 3.651 0.004 . . . . . . A 59 SER HB2 . 34106 1 803 . 1 1 59 59 SER HB3 H 1 3.711 0.004 . . . . . . A 59 SER HB3 . 34106 1 804 . 1 1 59 59 SER C C 13 177.573 0.003 . . . . . . A 59 SER C . 34106 1 805 . 1 1 59 59 SER CA C 13 61.265 0.101 . . . . . . A 59 SER CA . 34106 1 806 . 1 1 59 59 SER CB C 13 62.348 0.089 . . . . . . A 59 SER CB . 34106 1 807 . 1 1 59 59 SER N N 15 113.835 0.029 . . . . . . A 59 SER N . 34106 1 808 . 1 1 60 60 ASP H H 1 7.787 0.009 . . . . . . A 60 ASP H . 34106 1 809 . 1 1 60 60 ASP HA H 1 4.269 0.002 . . . . . . A 60 ASP HA . 34106 1 810 . 1 1 60 60 ASP HB2 H 1 2.275 0.004 . . . . . . A 60 ASP HB2 . 34106 1 811 . 1 1 60 60 ASP HB3 H 1 3.020 0.003 . . . . . . A 60 ASP HB3 . 34106 1 812 . 1 1 60 60 ASP C C 13 177.149 0.001 . . . . . . A 60 ASP C . 34106 1 813 . 1 1 60 60 ASP CA C 13 57.308 0.050 . . . . . . A 60 ASP CA . 34106 1 814 . 1 1 60 60 ASP CB C 13 40.612 0.025 . . . . . . A 60 ASP CB . 34106 1 815 . 1 1 60 60 ASP N N 15 123.393 0.156 . . . . . . A 60 ASP N . 34106 1 816 . 1 1 61 61 TYR H H 1 7.617 0.013 . . . . . . A 61 TYR H . 34106 1 817 . 1 1 61 61 TYR HA H 1 4.366 0.005 . . . . . . A 61 TYR HA . 34106 1 818 . 1 1 61 61 TYR HB2 H 1 2.413 0.003 . . . . . . A 61 TYR HB2 . 34106 1 819 . 1 1 61 61 TYR HB3 H 1 3.200 0.004 . . . . . . A 61 TYR HB3 . 34106 1 820 . 1 1 61 61 TYR HD1 H 1 7.288 0.000 . . . . . . A 61 TYR HD1 . 34106 1 821 . 1 1 61 61 TYR HD2 H 1 7.288 0.000 . . . . . . A 61 TYR HD2 . 34106 1 822 . 1 1 61 61 TYR HE1 H 1 6.820 0.000 . . . . . . A 61 TYR HE1 . 34106 1 823 . 1 1 61 61 TYR HE2 H 1 6.820 0.000 . . . . . . A 61 TYR HE2 . 34106 1 824 . 1 1 61 61 TYR C C 13 174.257 0.001 . . . . . . A 61 TYR C . 34106 1 825 . 1 1 61 61 TYR CA C 13 59.378 0.165 . . . . . . A 61 TYR CA . 34106 1 826 . 1 1 61 61 TYR CB C 13 38.704 0.040 . . . . . . A 61 TYR CB . 34106 1 827 . 1 1 61 61 TYR CD1 C 13 133.921 0.000 . . . . . . A 61 TYR CD1 . 34106 1 828 . 1 1 61 61 TYR CD2 C 13 133.921 0.000 . . . . . . A 61 TYR CD2 . 34106 1 829 . 1 1 61 61 TYR CE1 C 13 118.228 0.000 . . . . . . A 61 TYR CE1 . 34106 1 830 . 1 1 61 61 TYR CE2 C 13 118.228 0.000 . . . . . . A 61 TYR CE2 . 34106 1 831 . 1 1 61 61 TYR N N 15 118.353 0.061 . . . . . . A 61 TYR N . 34106 1 832 . 1 1 62 62 SER H H 1 7.869 0.018 . . . . . . A 62 SER H . 34106 1 833 . 1 1 62 62 SER HA H 1 3.787 0.001 . . . . . . A 62 SER HA . 34106 1 834 . 1 1 62 62 SER HB2 H 1 4.033 0.004 . . . . . . A 62 SER HB2 . 34106 1 835 . 1 1 62 62 SER HB3 H 1 4.033 0.004 . . . . . . A 62 SER HB3 . 34106 1 836 . 1 1 62 62 SER C C 13 173.084 0.002 . . . . . . A 62 SER C . 34106 1 837 . 1 1 62 62 SER CA C 13 59.842 0.049 . . . . . . A 62 SER CA . 34106 1 838 . 1 1 62 62 SER CB C 13 61.694 0.065 . . . . . . A 62 SER CB . 34106 1 839 . 1 1 62 62 SER N N 15 111.178 0.154 . . . . . . A 62 SER N . 34106 1 840 . 1 1 63 63 ILE H H 1 7.304 0.010 . . . . . . A 63 ILE H . 34106 1 841 . 1 1 63 63 ILE HA H 1 3.349 0.002 . . . . . . A 63 ILE HA . 34106 1 842 . 1 1 63 63 ILE HB H 1 1.272 0.003 . . . . . . A 63 ILE HB . 34106 1 843 . 1 1 63 63 ILE HG12 H 1 0.816 0.003 . . . . . . A 63 ILE HG12 . 34106 1 844 . 1 1 63 63 ILE HG13 H 1 0.816 0.003 . . . . . . A 63 ILE HG13 . 34106 1 845 . 1 1 63 63 ILE HG21 H 1 -0.016 0.011 . . . . . . A 63 ILE HG21 . 34106 1 846 . 1 1 63 63 ILE HG22 H 1 -0.016 0.011 . . . . . . A 63 ILE HG22 . 34106 1 847 . 1 1 63 63 ILE HG23 H 1 -0.016 0.011 . . . . . . A 63 ILE HG23 . 34106 1 848 . 1 1 63 63 ILE HD11 H 1 -0.167 0.002 . . . . . . A 63 ILE HD11 . 34106 1 849 . 1 1 63 63 ILE HD12 H 1 -0.167 0.002 . . . . . . A 63 ILE HD12 . 34106 1 850 . 1 1 63 63 ILE HD13 H 1 -0.167 0.002 . . . . . . A 63 ILE HD13 . 34106 1 851 . 1 1 63 63 ILE C C 13 173.721 0.004 . . . . . . A 63 ILE C . 34106 1 852 . 1 1 63 63 ILE CA C 13 61.085 0.071 . . . . . . A 63 ILE CA . 34106 1 853 . 1 1 63 63 ILE CB C 13 35.977 0.095 . . . . . . A 63 ILE CB . 34106 1 854 . 1 1 63 63 ILE CG1 C 13 26.532 0.114 . . . . . . A 63 ILE CG1 . 34106 1 855 . 1 1 63 63 ILE CG2 C 13 16.078 0.001 . . . . . . A 63 ILE CG2 . 34106 1 856 . 1 1 63 63 ILE CD1 C 13 13.244 0.010 . . . . . . A 63 ILE CD1 . 34106 1 857 . 1 1 63 63 ILE N N 15 122.922 0.064 . . . . . . A 63 ILE N . 34106 1 858 . 1 1 64 64 ILE H H 1 6.890 0.014 . . . . . . A 64 ILE H . 34106 1 859 . 1 1 64 64 ILE HA H 1 4.184 0.002 . . . . . . A 64 ILE HA . 34106 1 860 . 1 1 64 64 ILE HB H 1 1.780 0.002 . . . . . . A 64 ILE HB . 34106 1 861 . 1 1 64 64 ILE HG12 H 1 1.188 0.003 . . . . . . A 64 ILE HG12 . 34106 1 862 . 1 1 64 64 ILE HG13 H 1 0.888 0.004 . . . . . . A 64 ILE HG13 . 34106 1 863 . 1 1 64 64 ILE HG21 H 1 0.767 0.005 . . . . . . A 64 ILE HG21 . 34106 1 864 . 1 1 64 64 ILE HG22 H 1 0.767 0.005 . . . . . . A 64 ILE HG22 . 34106 1 865 . 1 1 64 64 ILE HG23 H 1 0.767 0.005 . . . . . . A 64 ILE HG23 . 34106 1 866 . 1 1 64 64 ILE HD11 H 1 0.776 0.001 . . . . . . A 64 ILE HD11 . 34106 1 867 . 1 1 64 64 ILE HD12 H 1 0.776 0.001 . . . . . . A 64 ILE HD12 . 34106 1 868 . 1 1 64 64 ILE HD13 H 1 0.776 0.001 . . . . . . A 64 ILE HD13 . 34106 1 869 . 1 1 64 64 ILE C C 13 175.045 0.012 . . . . . . A 64 ILE C . 34106 1 870 . 1 1 64 64 ILE CA C 13 60.619 0.071 . . . . . . A 64 ILE CA . 34106 1 871 . 1 1 64 64 ILE CB C 13 41.044 0.018 . . . . . . A 64 ILE CB . 34106 1 872 . 1 1 64 64 ILE CG1 C 13 26.532 0.072 . . . . . . A 64 ILE CG1 . 34106 1 873 . 1 1 64 64 ILE CG2 C 13 17.959 0.000 . . . . . . A 64 ILE CG2 . 34106 1 874 . 1 1 64 64 ILE CD1 C 13 13.706 0.018 . . . . . . A 64 ILE CD1 . 34106 1 875 . 1 1 64 64 ILE N N 15 116.865 0.051 . . . . . . A 64 ILE N . 34106 1 876 . 1 1 65 65 ASP H H 1 8.053 0.008 . . . . . . A 65 ASP H . 34106 1 877 . 1 1 65 65 ASP HA H 1 4.550 0.015 . . . . . . A 65 ASP HA . 34106 1 878 . 1 1 65 65 ASP HB2 H 1 2.609 0.001 . . . . . . A 65 ASP HB2 . 34106 1 879 . 1 1 65 65 ASP HB3 H 1 2.786 0.003 . . . . . . A 65 ASP HB3 . 34106 1 880 . 1 1 65 65 ASP C C 13 175.831 0.001 . . . . . . A 65 ASP C . 34106 1 881 . 1 1 65 65 ASP CA C 13 54.580 0.053 . . . . . . A 65 ASP CA . 34106 1 882 . 1 1 65 65 ASP CB C 13 41.135 0.012 . . . . . . A 65 ASP CB . 34106 1 883 . 1 1 65 65 ASP N N 15 120.803 0.072 . . . . . . A 65 ASP N . 34106 1 884 . 1 1 66 66 SER H H 1 8.110 0.004 . . . . . . A 66 SER H . 34106 1 885 . 1 1 66 66 SER HA H 1 4.521 0.004 . . . . . . A 66 SER HA . 34106 1 886 . 1 1 66 66 SER HB2 H 1 3.781 0.002 . . . . . . A 66 SER HB2 . 34106 1 887 . 1 1 66 66 SER HB3 H 1 4.049 0.005 . . . . . . A 66 SER HB3 . 34106 1 888 . 1 1 66 66 SER C C 13 174.990 0.010 . . . . . . A 66 SER C . 34106 1 889 . 1 1 66 66 SER CA C 13 58.574 0.080 . . . . . . A 66 SER CA . 34106 1 890 . 1 1 66 66 SER CB C 13 63.813 0.094 . . . . . . A 66 SER CB . 34106 1 891 . 1 1 66 66 SER N N 15 116.577 0.076 . . . . . . A 66 SER N . 34106 1 892 . 1 1 67 67 THR H H 1 8.344 0.005 . . . . . . A 67 THR H . 34106 1 893 . 1 1 67 67 THR HA H 1 4.238 0.002 . . . . . . A 67 THR HA . 34106 1 894 . 1 1 67 67 THR HB H 1 4.283 0.004 . . . . . . A 67 THR HB . 34106 1 895 . 1 1 67 67 THR HG21 H 1 1.137 0.000 . . . . . . A 67 THR HG21 . 34106 1 896 . 1 1 67 67 THR HG22 H 1 1.137 0.000 . . . . . . A 67 THR HG22 . 34106 1 897 . 1 1 67 67 THR HG23 H 1 1.137 0.000 . . . . . . A 67 THR HG23 . 34106 1 898 . 1 1 67 67 THR C C 13 174.503 0.008 . . . . . . A 67 THR C . 34106 1 899 . 1 1 67 67 THR CA C 13 62.937 0.067 . . . . . . A 67 THR CA . 34106 1 900 . 1 1 67 67 THR CB C 13 69.163 0.035 . . . . . . A 67 THR CB . 34106 1 901 . 1 1 67 67 THR CG2 C 13 21.831 0.016 . . . . . . A 67 THR CG2 . 34106 1 902 . 1 1 67 67 THR N N 15 114.304 0.041 . . . . . . A 67 THR N . 34106 1 903 . 1 1 68 68 GLU H H 1 7.803 0.010 . . . . . . A 68 GLU H . 34106 1 904 . 1 1 68 68 GLU HA H 1 4.214 0.000 . . . . . . A 68 GLU HA . 34106 1 905 . 1 1 68 68 GLU HB2 H 1 1.687 0.002 . . . . . . A 68 GLU HB2 . 34106 1 906 . 1 1 68 68 GLU HB3 H 1 1.687 0.002 . . . . . . A 68 GLU HB3 . 34106 1 907 . 1 1 68 68 GLU HG2 H 1 1.875 0.002 . . . . . . A 68 GLU HG2 . 34106 1 908 . 1 1 68 68 GLU HG3 H 1 2.002 0.001 . . . . . . A 68 GLU HG3 . 34106 1 909 . 1 1 68 68 GLU C C 13 174.869 0.007 . . . . . . A 68 GLU C . 34106 1 910 . 1 1 68 68 GLU CA C 13 55.679 0.031 . . . . . . A 68 GLU CA . 34106 1 911 . 1 1 68 68 GLU CB C 13 31.248 0.020 . . . . . . A 68 GLU CB . 34106 1 912 . 1 1 68 68 GLU CG C 13 36.098 0.107 . . . . . . A 68 GLU CG . 34106 1 913 . 1 1 68 68 GLU N N 15 122.158 0.034 . . . . . . A 68 GLU N . 34106 1 914 . 1 1 69 69 GLU H H 1 8.182 0.003 . . . . . . A 69 GLU H . 34106 1 915 . 1 1 69 69 GLU HA H 1 4.527 0.000 . . . . . . A 69 GLU HA . 34106 1 916 . 1 1 69 69 GLU HB2 H 1 1.832 0.001 . . . . . . A 69 GLU HB2 . 34106 1 917 . 1 1 69 69 GLU HB3 H 1 1.767 0.000 . . . . . . A 69 GLU HB3 . 34106 1 918 . 1 1 69 69 GLU HG2 H 1 1.978 0.002 . . . . . . A 69 GLU HG2 . 34106 1 919 . 1 1 69 69 GLU HG3 H 1 2.065 0.000 . . . . . . A 69 GLU HG3 . 34106 1 920 . 1 1 69 69 GLU C C 13 175.772 0.003 . . . . . . A 69 GLU C . 34106 1 921 . 1 1 69 69 GLU CA C 13 55.568 0.021 . . . . . . A 69 GLU CA . 34106 1 922 . 1 1 69 69 GLU CB C 13 31.036 0.023 . . . . . . A 69 GLU CB . 34106 1 923 . 1 1 69 69 GLU CG C 13 36.465 0.057 . . . . . . A 69 GLU CG . 34106 1 924 . 1 1 69 69 GLU N N 15 121.448 0.078 . . . . . . A 69 GLU N . 34106 1 925 . 1 1 70 70 PHE H H 1 8.693 0.009 . . . . . . A 70 PHE H . 34106 1 926 . 1 1 70 70 PHE HA H 1 4.817 0.002 . . . . . . A 70 PHE HA . 34106 1 927 . 1 1 70 70 PHE HB2 H 1 2.864 0.005 . . . . . . A 70 PHE HB2 . 34106 1 928 . 1 1 70 70 PHE HB3 H 1 2.864 0.005 . . . . . . A 70 PHE HB3 . 34106 1 929 . 1 1 70 70 PHE HD1 H 1 7.182 0.001 . . . . . . A 70 PHE HD1 . 34106 1 930 . 1 1 70 70 PHE HD2 H 1 7.182 0.001 . . . . . . A 70 PHE HD2 . 34106 1 931 . 1 1 70 70 PHE HE1 H 1 7.182 0.001 . . . . . . A 70 PHE HE1 . 34106 1 932 . 1 1 70 70 PHE HE2 H 1 7.182 0.001 . . . . . . A 70 PHE HE2 . 34106 1 933 . 1 1 70 70 PHE C C 13 174.491 0.001 . . . . . . A 70 PHE C . 34106 1 934 . 1 1 70 70 PHE CA C 13 57.570 0.059 . . . . . . A 70 PHE CA . 34106 1 935 . 1 1 70 70 PHE CB C 13 41.140 0.025 . . . . . . A 70 PHE CB . 34106 1 936 . 1 1 70 70 PHE CD1 C 13 132.083 0.003 . . . . . . A 70 PHE CD1 . 34106 1 937 . 1 1 70 70 PHE CD2 C 13 132.083 0.003 . . . . . . A 70 PHE CD2 . 34106 1 938 . 1 1 70 70 PHE CE1 C 13 132.042 0.000 . . . . . . A 70 PHE CE1 . 34106 1 939 . 1 1 70 70 PHE CE2 C 13 132.042 0.000 . . . . . . A 70 PHE CE2 . 34106 1 940 . 1 1 70 70 PHE N N 15 125.003 0.054 . . . . . . A 70 PHE N . 34106 1 941 . 1 1 71 71 THR H H 1 8.646 0.009 . . . . . . A 71 THR H . 34106 1 942 . 1 1 71 71 THR HA H 1 5.057 0.003 . . . . . . A 71 THR HA . 34106 1 943 . 1 1 71 71 THR HB H 1 3.865 0.003 . . . . . . A 71 THR HB . 34106 1 944 . 1 1 71 71 THR HG21 H 1 0.748 0.000 . . . . . . A 71 THR HG21 . 34106 1 945 . 1 1 71 71 THR HG22 H 1 0.748 0.000 . . . . . . A 71 THR HG22 . 34106 1 946 . 1 1 71 71 THR HG23 H 1 0.748 0.000 . . . . . . A 71 THR HG23 . 34106 1 947 . 1 1 71 71 THR C C 13 173.291 0.002 . . . . . . A 71 THR C . 34106 1 948 . 1 1 71 71 THR CA C 13 61.975 0.037 . . . . . . A 71 THR CA . 34106 1 949 . 1 1 71 71 THR CB C 13 70.757 0.020 . . . . . . A 71 THR CB . 34106 1 950 . 1 1 71 71 THR CG2 C 13 21.810 0.000 . . . . . . A 71 THR CG2 . 34106 1 951 . 1 1 71 71 THR N N 15 119.796 0.037 . . . . . . A 71 THR N . 34106 1 952 . 1 1 72 72 LEU H H 1 9.057 0.006 . . . . . . A 72 LEU H . 34106 1 953 . 1 1 72 72 LEU HA H 1 4.949 0.003 . . . . . . A 72 LEU HA . 34106 1 954 . 1 1 72 72 LEU HB2 H 1 1.543 0.006 . . . . . . A 72 LEU HB2 . 34106 1 955 . 1 1 72 72 LEU HB3 H 1 1.295 0.004 . . . . . . A 72 LEU HB3 . 34106 1 956 . 1 1 72 72 LEU HG H 1 1.512 0.005 . . . . . . A 72 LEU HG . 34106 1 957 . 1 1 72 72 LEU HD11 H 1 0.560 0.000 . . . . . . A 72 LEU HD11 . 34106 1 958 . 1 1 72 72 LEU HD12 H 1 0.560 0.000 . . . . . . A 72 LEU HD12 . 34106 1 959 . 1 1 72 72 LEU HD13 H 1 0.560 0.000 . . . . . . A 72 LEU HD13 . 34106 1 960 . 1 1 72 72 LEU HD21 H 1 0.616 0.000 . . . . . . A 72 LEU HD21 . 34106 1 961 . 1 1 72 72 LEU HD22 H 1 0.616 0.000 . . . . . . A 72 LEU HD22 . 34106 1 962 . 1 1 72 72 LEU HD23 H 1 0.616 0.000 . . . . . . A 72 LEU HD23 . 34106 1 963 . 1 1 72 72 LEU C C 13 175.049 0.002 . . . . . . A 72 LEU C . 34106 1 964 . 1 1 72 72 LEU CA C 13 52.729 0.028 . . . . . . A 72 LEU CA . 34106 1 965 . 1 1 72 72 LEU CB C 13 43.119 0.109 . . . . . . A 72 LEU CB . 34106 1 966 . 1 1 72 72 LEU CG C 13 27.718 0.074 . . . . . . A 72 LEU CG . 34106 1 967 . 1 1 72 72 LEU CD1 C 13 24.648 0.067 . . . . . . A 72 LEU CD1 . 34106 1 968 . 1 1 72 72 LEU CD2 C 13 23.284 0.036 . . . . . . A 72 LEU CD2 . 34106 1 969 . 1 1 72 72 LEU N N 15 126.026 0.030 . . . . . . A 72 LEU N . 34106 1 970 . 1 1 73 73 HIS H H 1 8.931 0.004 . . . . . . A 73 HIS H . 34106 1 971 . 1 1 73 73 HIS HA H 1 4.833 0.003 . . . . . . A 73 HIS HA . 34106 1 972 . 1 1 73 73 HIS HB2 H 1 2.745 0.004 . . . . . . A 73 HIS HB2 . 34106 1 973 . 1 1 73 73 HIS HB3 H 1 3.047 0.004 . . . . . . A 73 HIS HB3 . 34106 1 974 . 1 1 73 73 HIS HD2 H 1 6.912 0.001 . . . . . . A 73 HIS HD2 . 34106 1 975 . 1 1 73 73 HIS HE1 H 1 7.824 0.000 . . . . . . A 73 HIS HE1 . 34106 1 976 . 1 1 73 73 HIS C C 13 174.139 0.065 . . . . . . A 73 HIS C . 34106 1 977 . 1 1 73 73 HIS CA C 13 56.844 0.027 . . . . . . A 73 HIS CA . 34106 1 978 . 1 1 73 73 HIS CB C 13 32.045 0.036 . . . . . . A 73 HIS CB . 34106 1 979 . 1 1 73 73 HIS CD2 C 13 118.978 0.018 . . . . . . A 73 HIS CD2 . 34106 1 980 . 1 1 73 73 HIS CE1 C 13 137.093 0.000 . . . . . . A 73 HIS CE1 . 34106 1 981 . 1 1 73 73 HIS N N 15 121.015 0.060 . . . . . . A 73 HIS N . 34106 1 982 . 1 1 74 74 LEU H H 1 8.347 0.009 . . . . . . A 74 LEU H . 34106 1 983 . 1 1 74 74 LEU HA H 1 5.091 0.002 . . . . . . A 74 LEU HA . 34106 1 984 . 1 1 74 74 LEU HB2 H 1 0.693 0.016 . . . . . . A 74 LEU HB2 . 34106 1 985 . 1 1 74 74 LEU HB3 H 1 1.171 0.005 . . . . . . A 74 LEU HB3 . 34106 1 986 . 1 1 74 74 LEU HG H 1 1.143 0.004 . . . . . . A 74 LEU HG . 34106 1 987 . 1 1 74 74 LEU HD11 H 1 0.327 0.004 . . . . . . A 74 LEU HD11 . 34106 1 988 . 1 1 74 74 LEU HD12 H 1 0.327 0.004 . . . . . . A 74 LEU HD12 . 34106 1 989 . 1 1 74 74 LEU HD13 H 1 0.327 0.004 . . . . . . A 74 LEU HD13 . 34106 1 990 . 1 1 74 74 LEU HD21 H 1 0.327 0.004 . . . . . . A 74 LEU HD21 . 34106 1 991 . 1 1 74 74 LEU HD22 H 1 0.327 0.004 . . . . . . A 74 LEU HD22 . 34106 1 992 . 1 1 74 74 LEU HD23 H 1 0.327 0.004 . . . . . . A 74 LEU HD23 . 34106 1 993 . 1 1 74 74 LEU C C 13 175.740 0.000 . . . . . . A 74 LEU C . 34106 1 994 . 1 1 74 74 LEU CA C 13 53.390 0.040 . . . . . . A 74 LEU CA . 34106 1 995 . 1 1 74 74 LEU CB C 13 43.724 0.031 . . . . . . A 74 LEU CB . 34106 1 996 . 1 1 74 74 LEU CG C 13 27.555 0.024 . . . . . . A 74 LEU CG . 34106 1 997 . 1 1 74 74 LEU CD1 C 13 27.944 0.000 . . . . . . A 74 LEU CD1 . 34106 1 998 . 1 1 74 74 LEU CD2 C 13 25.873 0.050 . . . . . . A 74 LEU CD2 . 34106 1 999 . 1 1 74 74 LEU N N 15 126.217 0.043 . . . . . . A 74 LEU N . 34106 1 1000 . 1 1 75 75 GLU H H 1 9.206 0.003 . . . . . . A 75 GLU H . 34106 1 1001 . 1 1 75 75 GLU HA H 1 4.628 0.004 . . . . . . A 75 GLU HA . 34106 1 1002 . 1 1 75 75 GLU HB2 H 1 1.930 0.004 . . . . . . A 75 GLU HB2 . 34106 1 1003 . 1 1 75 75 GLU HB3 H 1 1.760 0.004 . . . . . . A 75 GLU HB3 . 34106 1 1004 . 1 1 75 75 GLU HG2 H 1 2.085 0.001 . . . . . . A 75 GLU HG2 . 34106 1 1005 . 1 1 75 75 GLU HG3 H 1 2.085 0.001 . . . . . . A 75 GLU HG3 . 34106 1 1006 . 1 1 75 75 GLU C C 13 174.868 0.005 . . . . . . A 75 GLU C . 34106 1 1007 . 1 1 75 75 GLU CA C 13 54.710 0.032 . . . . . . A 75 GLU CA . 34106 1 1008 . 1 1 75 75 GLU CB C 13 32.956 0.050 . . . . . . A 75 GLU CB . 34106 1 1009 . 1 1 75 75 GLU CG C 13 36.349 0.026 . . . . . . A 75 GLU CG . 34106 1 1010 . 1 1 75 75 GLU N N 15 128.073 0.041 . . . . . . A 75 GLU N . 34106 1 1011 . 1 1 76 76 THR H H 1 8.372 0.004 . . . . . . A 76 THR H . 34106 1 1012 . 1 1 76 76 THR HA H 1 4.974 0.003 . . . . . . A 76 THR HA . 34106 1 1013 . 1 1 76 76 THR HB H 1 4.128 0.003 . . . . . . A 76 THR HB . 34106 1 1014 . 1 1 76 76 THR HG21 H 1 1.125 0.040 . . . . . . A 76 THR HG21 . 34106 1 1015 . 1 1 76 76 THR HG22 H 1 1.125 0.040 . . . . . . A 76 THR HG22 . 34106 1 1016 . 1 1 76 76 THR HG23 H 1 1.125 0.040 . . . . . . A 76 THR HG23 . 34106 1 1017 . 1 1 76 76 THR C C 13 174.564 0.006 . . . . . . A 76 THR C . 34106 1 1018 . 1 1 76 76 THR CA C 13 60.177 0.074 . . . . . . A 76 THR CA . 34106 1 1019 . 1 1 76 76 THR CB C 13 70.539 0.021 . . . . . . A 76 THR CB . 34106 1 1020 . 1 1 76 76 THR CG2 C 13 21.597 0.038 . . . . . . A 76 THR CG2 . 34106 1 1021 . 1 1 76 76 THR N N 15 114.774 0.015 . . . . . . A 76 THR N . 34106 1 1022 . 1 1 77 77 LYS H H 1 8.449 0.003 . . . . . . A 77 LYS H . 34106 1 1023 . 1 1 77 77 LYS HA H 1 4.270 0.004 . . . . . . A 77 LYS HA . 34106 1 1024 . 1 1 77 77 LYS HB2 H 1 1.599 0.003 . . . . . . A 77 LYS HB2 . 34106 1 1025 . 1 1 77 77 LYS HB3 H 1 1.763 0.004 . . . . . . A 77 LYS HB3 . 34106 1 1026 . 1 1 77 77 LYS HG2 H 1 1.299 0.011 . . . . . . A 77 LYS HG2 . 34106 1 1027 . 1 1 77 77 LYS HG3 H 1 1.299 0.011 . . . . . . A 77 LYS HG3 . 34106 1 1028 . 1 1 77 77 LYS HD2 H 1 1.590 0.000 . . . . . . A 77 LYS HD2 . 34106 1 1029 . 1 1 77 77 LYS HD3 H 1 1.590 0.000 . . . . . . A 77 LYS HD3 . 34106 1 1030 . 1 1 77 77 LYS HE2 H 1 2.889 0.000 . . . . . . A 77 LYS HE2 . 34106 1 1031 . 1 1 77 77 LYS HE3 H 1 2.889 0.000 . . . . . . A 77 LYS HE3 . 34106 1 1032 . 1 1 77 77 LYS C C 13 175.988 0.002 . . . . . . A 77 LYS C . 34106 1 1033 . 1 1 77 77 LYS CA C 13 56.176 0.015 . . . . . . A 77 LYS CA . 34106 1 1034 . 1 1 77 77 LYS CB C 13 32.989 0.104 . . . . . . A 77 LYS CB . 34106 1 1035 . 1 1 77 77 LYS CG C 13 24.766 0.103 . . . . . . A 77 LYS CG . 34106 1 1036 . 1 1 77 77 LYS CD C 13 28.988 0.007 . . . . . . A 77 LYS CD . 34106 1 1037 . 1 1 77 77 LYS CE C 13 42.021 0.004 . . . . . . A 77 LYS CE . 34106 1 1038 . 1 1 77 77 LYS N N 15 123.927 0.071 . . . . . . A 77 LYS N . 34106 1 1039 . 1 1 78 78 LEU H H 1 8.128 0.003 . . . . . . A 78 LEU H . 34106 1 1040 . 1 1 78 78 LEU HA H 1 4.283 0.003 . . . . . . A 78 LEU HA . 34106 1 1041 . 1 1 78 78 LEU HB2 H 1 1.510 0.000 . . . . . . A 78 LEU HB2 . 34106 1 1042 . 1 1 78 78 LEU HB3 H 1 1.510 0.000 . . . . . . A 78 LEU HB3 . 34106 1 1043 . 1 1 78 78 LEU HG H 1 1.527 0.000 . . . . . . A 78 LEU HG . 34106 1 1044 . 1 1 78 78 LEU HD11 H 1 0.558 0.000 . . . . . . A 78 LEU HD11 . 34106 1 1045 . 1 1 78 78 LEU HD12 H 1 0.558 0.000 . . . . . . A 78 LEU HD12 . 34106 1 1046 . 1 1 78 78 LEU HD13 H 1 0.558 0.000 . . . . . . A 78 LEU HD13 . 34106 1 1047 . 1 1 78 78 LEU HD21 H 1 0.663 0.003 . . . . . . A 78 LEU HD21 . 34106 1 1048 . 1 1 78 78 LEU HD22 H 1 0.663 0.003 . . . . . . A 78 LEU HD22 . 34106 1 1049 . 1 1 78 78 LEU HD23 H 1 0.663 0.003 . . . . . . A 78 LEU HD23 . 34106 1 1050 . 1 1 78 78 LEU C C 13 176.885 0.003 . . . . . . A 78 LEU C . 34106 1 1051 . 1 1 78 78 LEU CA C 13 55.002 0.017 . . . . . . A 78 LEU CA . 34106 1 1052 . 1 1 78 78 LEU CB C 13 42.708 0.223 . . . . . . A 78 LEU CB . 34106 1 1053 . 1 1 78 78 LEU CG C 13 27.117 0.000 . . . . . . A 78 LEU CG . 34106 1 1054 . 1 1 78 78 LEU CD1 C 13 24.766 0.000 . . . . . . A 78 LEU CD1 . 34106 1 1055 . 1 1 78 78 LEU CD2 C 13 23.594 0.075 . . . . . . A 78 LEU CD2 . 34106 1 1056 . 1 1 78 78 LEU N N 15 122.843 0.046 . . . . . . A 78 LEU N . 34106 1 1057 . 1 1 79 79 ASP H H 1 8.264 0.002 . . . . . . A 79 ASP H . 34106 1 1058 . 1 1 79 79 ASP HA H 1 4.496 0.004 . . . . . . A 79 ASP HA . 34106 1 1059 . 1 1 79 79 ASP HB2 H 1 2.520 0.002 . . . . . . A 79 ASP HB2 . 34106 1 1060 . 1 1 79 79 ASP HB3 H 1 2.616 0.006 . . . . . . A 79 ASP HB3 . 34106 1 1061 . 1 1 79 79 ASP C C 13 175.811 0.001 . . . . . . A 79 ASP C . 34106 1 1062 . 1 1 79 79 ASP CA C 13 54.408 0.064 . . . . . . A 79 ASP CA . 34106 1 1063 . 1 1 79 79 ASP CB C 13 41.040 0.058 . . . . . . A 79 ASP CB . 34106 1 1064 . 1 1 79 79 ASP N N 15 121.277 0.049 . . . . . . A 79 ASP N . 34106 1 1065 . 1 1 80 80 LEU H H 1 8.006 0.007 . . . . . . A 80 LEU H . 34106 1 1066 . 1 1 80 80 LEU HA H 1 4.265 0.004 . . . . . . A 80 LEU HA . 34106 1 1067 . 1 1 80 80 LEU HB2 H 1 1.546 0.003 . . . . . . A 80 LEU HB2 . 34106 1 1068 . 1 1 80 80 LEU HB3 H 1 1.546 0.003 . . . . . . A 80 LEU HB3 . 34106 1 1069 . 1 1 80 80 LEU HG H 1 1.532 0.001 . . . . . . A 80 LEU HG . 34106 1 1070 . 1 1 80 80 LEU HD11 H 1 0.839 0.002 . . . . . . A 80 LEU HD11 . 34106 1 1071 . 1 1 80 80 LEU HD12 H 1 0.839 0.002 . . . . . . A 80 LEU HD12 . 34106 1 1072 . 1 1 80 80 LEU HD13 H 1 0.839 0.002 . . . . . . A 80 LEU HD13 . 34106 1 1073 . 1 1 80 80 LEU HD21 H 1 0.839 0.002 . . . . . . A 80 LEU HD21 . 34106 1 1074 . 1 1 80 80 LEU HD22 H 1 0.839 0.002 . . . . . . A 80 LEU HD22 . 34106 1 1075 . 1 1 80 80 LEU HD23 H 1 0.839 0.002 . . . . . . A 80 LEU HD23 . 34106 1 1076 . 1 1 80 80 LEU C C 13 176.419 0.001 . . . . . . A 80 LEU C . 34106 1 1077 . 1 1 80 80 LEU CA C 13 55.097 0.030 . . . . . . A 80 LEU CA . 34106 1 1078 . 1 1 80 80 LEU CB C 13 42.305 0.030 . . . . . . A 80 LEU CB . 34106 1 1079 . 1 1 80 80 LEU CG C 13 26.894 0.084 . . . . . . A 80 LEU CG . 34106 1 1080 . 1 1 80 80 LEU CD1 C 13 23.307 0.000 . . . . . . A 80 LEU CD1 . 34106 1 1081 . 1 1 80 80 LEU CD2 C 13 24.968 0.085 . . . . . . A 80 LEU CD2 . 34106 1 1082 . 1 1 80 80 LEU N N 15 122.298 0.056 . . . . . . A 80 LEU N . 34106 1 1083 . 1 1 81 81 MET H H 1 7.793 0.003 . . . . . . A 81 MET H . 34106 1 1084 . 1 1 81 81 MET HA H 1 4.162 0.003 . . . . . . A 81 MET HA . 34106 1 1085 . 1 1 81 81 MET HB2 H 1 2.002 0.004 . . . . . . A 81 MET HB2 . 34106 1 1086 . 1 1 81 81 MET HB3 H 1 1.877 0.001 . . . . . . A 81 MET HB3 . 34106 1 1087 . 1 1 81 81 MET HG2 H 1 2.402 0.000 . . . . . . A 81 MET HG2 . 34106 1 1088 . 1 1 81 81 MET HG3 H 1 2.451 0.000 . . . . . . A 81 MET HG3 . 34106 1 1089 . 1 1 81 81 MET HE1 H 1 2.033 0.000 . . . . . . A 81 MET HE1 . 34106 1 1090 . 1 1 81 81 MET HE2 H 1 2.033 0.000 . . . . . . A 81 MET HE2 . 34106 1 1091 . 1 1 81 81 MET HE3 H 1 2.033 0.000 . . . . . . A 81 MET HE3 . 34106 1 1092 . 1 1 81 81 MET C C 13 177.531 0.000 . . . . . . A 81 MET C . 34106 1 1093 . 1 1 81 81 MET CA C 13 57.064 0.071 . . . . . . A 81 MET CA . 34106 1 1094 . 1 1 81 81 MET CB C 13 33.783 0.060 . . . . . . A 81 MET CB . 34106 1 1095 . 1 1 81 81 MET CG C 13 32.295 0.000 . . . . . . A 81 MET CG . 34106 1 1096 . 1 1 81 81 MET CE C 13 16.602 0.000 . . . . . . A 81 MET CE . 34106 1 1097 . 1 1 81 81 MET N N 15 125.766 0.042 . . . . . . A 81 MET N . 34106 1 stop_ save_