data_34108 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 34108 _Entry.Title ; NMR structure of TLR4 transmembrane domain (624-670) in DMPG/DHPC bicelles ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2017-02-28 _Entry.Accession_date 2017-02-28 _Entry.Last_release_date 2017-08-28 _Entry.Original_release_date 2017-08-28 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 K. Mineev K. S. . . 34108 2 S. Goncharuk S. A. . . 34108 3 M. Goncharuk M. V. . . 34108 4 A. Arseniev A. S. . . 34108 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 34108 'PROTEIN RECEPTOR' . 34108 'Toll-like receptor' . 34108 'signaling protein' . 34108 'transmembrane domain' . 34108 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 3 34108 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 657 34108 '15N chemical shifts' 145 34108 '1H chemical shifts' 1098 34108 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-08-31 . original BMRB . 34108 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 5NAM 'BMRB Entry Tracking System' 34108 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 34108 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1038/s41598-017-07250-4 _Citation.PubMed_ID 28761155 _Citation.Full_citation . _Citation.Title ; Spatial structure of TLR4 transmembrane domain in bicelles provides the insight into the receptor activation mechanism. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Sci. Rep.' _Citation.Journal_name_full . _Citation.Journal_volume 7 _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN 2045-2322 _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 6864 _Citation.Page_last 6864 _Citation.Year 2017 _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 K. Mineev K. S. . . 34108 1 2 S. Goncharuk S. A. . . 34108 1 3 M. Goncharuk M. V. . . 34108 1 4 P. Volynsky P. E. . . 34108 1 5 E. Novikova E. V. . . 34108 1 6 A. Aresinev A. S. . . 34108 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 34108 _Assembly.ID 1 _Assembly.Name 'Toll-like receptor 4' _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 . . . . . . 34108 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 34108 _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 ; MNITSQMNKTIIGVSVLSVL VVSVVAVLVYKFYFHLMLLA GCIKYGRG ; _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 48 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 623-670' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5282.465 _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 hToll na 34108 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 34108 1 2 . ASN . 34108 1 3 . ILE . 34108 1 4 . THR . 34108 1 5 . SER . 34108 1 6 . GLN . 34108 1 7 . MET . 34108 1 8 . ASN . 34108 1 9 . LYS . 34108 1 10 . THR . 34108 1 11 . ILE . 34108 1 12 . ILE . 34108 1 13 . GLY . 34108 1 14 . VAL . 34108 1 15 . SER . 34108 1 16 . VAL . 34108 1 17 . LEU . 34108 1 18 . SER . 34108 1 19 . VAL . 34108 1 20 . LEU . 34108 1 21 . VAL . 34108 1 22 . VAL . 34108 1 23 . SER . 34108 1 24 . VAL . 34108 1 25 . VAL . 34108 1 26 . ALA . 34108 1 27 . VAL . 34108 1 28 . LEU . 34108 1 29 . VAL . 34108 1 30 . TYR . 34108 1 31 . LYS . 34108 1 32 . PHE . 34108 1 33 . TYR . 34108 1 34 . PHE . 34108 1 35 . HIS . 34108 1 36 . LEU . 34108 1 37 . MET . 34108 1 38 . LEU . 34108 1 39 . LEU . 34108 1 40 . ALA . 34108 1 41 . GLY . 34108 1 42 . CYS . 34108 1 43 . ILE . 34108 1 44 . LYS . 34108 1 45 . TYR . 34108 1 46 . GLY . 34108 1 47 . ARG . 34108 1 48 . GLY . 34108 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 34108 1 . ASN 2 2 34108 1 . ILE 3 3 34108 1 . THR 4 4 34108 1 . SER 5 5 34108 1 . GLN 6 6 34108 1 . MET 7 7 34108 1 . ASN 8 8 34108 1 . LYS 9 9 34108 1 . THR 10 10 34108 1 . ILE 11 11 34108 1 . ILE 12 12 34108 1 . GLY 13 13 34108 1 . VAL 14 14 34108 1 . SER 15 15 34108 1 . VAL 16 16 34108 1 . LEU 17 17 34108 1 . SER 18 18 34108 1 . VAL 19 19 34108 1 . LEU 20 20 34108 1 . VAL 21 21 34108 1 . VAL 22 22 34108 1 . SER 23 23 34108 1 . VAL 24 24 34108 1 . VAL 25 25 34108 1 . ALA 26 26 34108 1 . VAL 27 27 34108 1 . LEU 28 28 34108 1 . VAL 29 29 34108 1 . TYR 30 30 34108 1 . LYS 31 31 34108 1 . PHE 32 32 34108 1 . TYR 33 33 34108 1 . PHE 34 34 34108 1 . HIS 35 35 34108 1 . LEU 36 36 34108 1 . MET 37 37 34108 1 . LEU 38 38 34108 1 . LEU 39 39 34108 1 . ALA 40 40 34108 1 . GLY 41 41 34108 1 . CYS 42 42 34108 1 . ILE 43 43 34108 1 . LYS 44 44 34108 1 . TYR 45 45 34108 1 . GLY 46 46 34108 1 . ARG 47 47 34108 1 . GLY 48 48 34108 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 34108 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . TLR4 . 34108 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 34108 _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 BL23 . . . . . . . . . 34108 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 34108 _Sample.ID 1 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-13C; U-15N] TLR4-TM, 71 mM DHPC, 29 mM DMPG, 10 mM imidazole, 0.01 % sodium azide, 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 DHPC 'natural abundance' . . . . . . 71 . . mM 1 . . . 34108 1 2 DMPG 'natural abundance' . . . . . . 29 . . mM 1 . . . 34108 1 3 TLR4-TM '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM 0.05 . . . 34108 1 4 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 34108 1 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 34108 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 34108 _Sample.ID 2 _Sample.Type bicelle _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-13C; U-15N] TLR4-TM, 71 mM DHPC, 29 mM DMPC, 10 mM imidazole, 0.01 % sodium azide, 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 DHPC 'natural abundance' . . . . . . 71 . . mM 1 . . . 34108 2 2 DMPC 'natural abundance' . . . . . . 29 . . mM 1 . . . 34108 2 3 TLR4-TM '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM 0.05 . . . 34108 2 4 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 34108 2 5 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 34108 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 34108 _Sample.ID 3 _Sample.Type micelle _Sample.Sub_type . _Sample.Details ; 0.5 mM [U-13C; U-15N] TLR4-TM, 50 mM [U-2H] DPC, 10 mM imidazole, 0.01 % sodium azide, 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 DPC [U-2H] . . . . . . 50 . . mM 1 . . . 34108 3 2 TLR4-TM '[U-13C; U-15N]' . . 1 $entity_1 . . 0.5 . . mM 0.05 . . . 34108 3 3 imidazole 'natural abundance' . . . . . . 10 . . mM . . . . 34108 3 4 'sodium azide' 'natural abundance' . . . . . . 0.01 . . % . . . . 34108 3 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 34108 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 10 . mM 34108 1 pH 6.0 0.1 pH 34108 1 pressure 1 . atm 34108 1 temperature 313 . K 34108 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 34108 _Software.ID 1 _Software.Name CARA _Software.Version 1.9.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 34108 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 34108 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 34108 _Software.ID 2 _Software.Name CYANA _Software.Version 3.97 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 34108 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 34108 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 34108 _Software.ID 3 _Software.Name TOPSPIN _Software.Version 3.5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 34108 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 34108 3 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 34108 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 34108 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AvanceIII _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 34108 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker AvanceIII . 600 . . . 34108 1 2 NMR_spectrometer_2 Bruker AvanceIII . 800 . . . 34108 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 34108 _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 . . . . . . . . . . . . . . . . 34108 1 2 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34108 1 3 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34108 1 4 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34108 1 5 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34108 1 6 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34108 1 7 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34108 1 8 '3D HCCH-COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $NMR_spectrometer_2 . . . . . . . . . . . . . . . . 34108 1 9 '3D HN(CO)CA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34108 1 10 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34108 1 11 '3D HN(CO)CA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34108 1 12 '3D HNCA' no . . . . . . . . . . 3 $sample_3 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 34108 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 34108 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.25144953 . . . . . 34108 1 H 1 DSS 'methyl protons' . . . . ppm 0.000 internal direct 1.0 . . . . . 34108 1 N 15 DSS 'methyl protons' . . . . ppm 0.000 internal indirect 0.10132912 . . . . . 34108 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 34108 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $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 'chemical shifts in DMPG/DHPC q=0.4 bicelles' _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' . . . 34108 1 2 '3D HNCA' . . . 34108 1 3 '3D HNCO' . . . 34108 1 4 '3D HN(CO)CA' . . . 34108 1 5 '3D HCCH-TOCSY' . . . 34108 1 6 '3D 1H-13C NOESY' . . . 34108 1 7 '3D 1H-15N NOESY' . . . 34108 1 8 '3D HCCH-COSY' . . . 34108 1 9 '3D HN(CO)CA' . . . 34108 1 10 '3D HNCA' . . . 34108 1 11 '3D HN(CO)CA' . . . 34108 1 12 '3D HNCA' . . . 34108 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.458 0.020 . 1 . . . A 1 MET H1 . 34108 1 2 . 1 1 1 1 MET HA H 1 4.531 0.020 . 1 . . . A 1 MET HA . 34108 1 3 . 1 1 1 1 MET HB2 H 1 2.042 0.020 . 2 . . . A 1 MET HB2 . 34108 1 4 . 1 1 1 1 MET HB3 H 1 1.628 0.020 . 2 . . . A 1 MET HB3 . 34108 1 5 . 1 1 1 1 MET HG2 H 1 2.579 0.020 . 2 . . . A 1 MET HG2 . 34108 1 6 . 1 1 1 1 MET HG3 H 1 2.551 0.020 . 2 . . . A 1 MET HG3 . 34108 1 7 . 1 1 1 1 MET HE1 H 1 2.491 0.020 . 1 . . . A 1 MET HE1 . 34108 1 8 . 1 1 1 1 MET HE2 H 1 2.491 0.020 . 1 . . . A 1 MET HE2 . 34108 1 9 . 1 1 1 1 MET HE3 H 1 2.491 0.020 . 1 . . . A 1 MET HE3 . 34108 1 10 . 1 1 1 1 MET C C 13 174.974 0.400 . 1 . . . A 1 MET C . 34108 1 11 . 1 1 1 1 MET CA C 13 53.999 0.400 . 1 . . . A 1 MET CA . 34108 1 12 . 1 1 1 1 MET CB C 13 33.397 0.400 . 1 . . . A 1 MET CB . 34108 1 13 . 1 1 1 1 MET CG C 13 31.766 0.400 . 1 . . . A 1 MET CG . 34108 1 14 . 1 1 1 1 MET CE C 13 17.795 0.400 . 1 . . . A 1 MET CE . 34108 1 15 . 1 1 1 1 MET N N 15 127.923 0.400 . 1 . . . A 1 MET N . 34108 1 16 . 1 1 2 2 ASN H H 1 8.592 0.020 . 1 . . . A 2 ASN H . 34108 1 17 . 1 1 2 2 ASN HA H 1 4.766 0.020 . 1 . . . A 2 ASN HA . 34108 1 18 . 1 1 2 2 ASN HB2 H 1 2.888 0.020 . 2 . . . A 2 ASN HB2 . 34108 1 19 . 1 1 2 2 ASN HB3 H 1 2.785 0.020 . 2 . . . A 2 ASN HB3 . 34108 1 20 . 1 1 2 2 ASN C C 13 175.198 0.400 . 1 . . . A 2 ASN C . 34108 1 21 . 1 1 2 2 ASN CA C 13 52.906 0.400 . 1 . . . A 2 ASN CA . 34108 1 22 . 1 1 2 2 ASN CB C 13 38.485 0.400 . 1 . . . A 2 ASN CB . 34108 1 23 . 1 1 2 2 ASN N N 15 120.143 0.400 . 1 . . . A 2 ASN N . 34108 1 24 . 1 1 3 3 ILE H H 1 8.222 0.020 . 1 . . . A 3 ILE H . 34108 1 25 . 1 1 3 3 ILE HA H 1 4.251 0.020 . 1 . . . A 3 ILE HA . 34108 1 26 . 1 1 3 3 ILE HB H 1 1.981 0.020 . 1 . . . A 3 ILE HB . 34108 1 27 . 1 1 3 3 ILE HG12 H 1 1.521 0.020 . 2 . . . A 3 ILE HG12 . 34108 1 28 . 1 1 3 3 ILE HG13 H 1 1.243 0.020 . 2 . . . A 3 ILE HG13 . 34108 1 29 . 1 1 3 3 ILE HG21 H 1 0.965 0.020 . 1 . . . A 3 ILE HG21 . 34108 1 30 . 1 1 3 3 ILE HG22 H 1 0.965 0.020 . 1 . . . A 3 ILE HG22 . 34108 1 31 . 1 1 3 3 ILE HG23 H 1 0.965 0.020 . 1 . . . A 3 ILE HG23 . 34108 1 32 . 1 1 3 3 ILE HD11 H 1 0.898 0.020 . 1 . . . A 3 ILE HD11 . 34108 1 33 . 1 1 3 3 ILE HD12 H 1 0.898 0.020 . 1 . . . A 3 ILE HD12 . 34108 1 34 . 1 1 3 3 ILE HD13 H 1 0.898 0.020 . 1 . . . A 3 ILE HD13 . 34108 1 35 . 1 1 3 3 ILE C C 13 176.063 0.400 . 1 . . . A 3 ILE C . 34108 1 36 . 1 1 3 3 ILE CA C 13 61.504 0.400 . 1 . . . A 3 ILE CA . 34108 1 37 . 1 1 3 3 ILE CB C 13 38.284 0.400 . 1 . . . A 3 ILE CB . 34108 1 38 . 1 1 3 3 ILE CG1 C 13 27.236 0.400 . 1 . . . A 3 ILE CG1 . 34108 1 39 . 1 1 3 3 ILE CG2 C 13 17.601 0.400 . 1 . . . A 3 ILE CG2 . 34108 1 40 . 1 1 3 3 ILE CD1 C 13 12.994 0.400 . 1 . . . A 3 ILE CD1 . 34108 1 41 . 1 1 3 3 ILE N N 15 120.672 0.400 . 1 . . . A 3 ILE N . 34108 1 42 . 1 1 4 4 THR H H 1 8.051 0.020 . 1 . . . A 4 THR H . 34108 1 43 . 1 1 4 4 THR HA H 1 4.356 0.020 . 1 . . . A 4 THR HA . 34108 1 44 . 1 1 4 4 THR HB H 1 4.393 0.020 . 1 . . . A 4 THR HB . 34108 1 45 . 1 1 4 4 THR HG21 H 1 1.268 0.020 . 1 . . . A 4 THR HG21 . 34108 1 46 . 1 1 4 4 THR HG22 H 1 1.268 0.020 . 1 . . . A 4 THR HG22 . 34108 1 47 . 1 1 4 4 THR HG23 H 1 1.268 0.020 . 1 . . . A 4 THR HG23 . 34108 1 48 . 1 1 4 4 THR C C 13 175.153 0.400 . 1 . . . A 4 THR C . 34108 1 49 . 1 1 4 4 THR CA C 13 62.239 0.400 . 1 . . . A 4 THR CA . 34108 1 50 . 1 1 4 4 THR CB C 13 69.357 0.400 . 1 . . . A 4 THR CB . 34108 1 51 . 1 1 4 4 THR CG2 C 13 21.579 0.400 . 1 . . . A 4 THR CG2 . 34108 1 52 . 1 1 4 4 THR N N 15 114.924 0.400 . 1 . . . A 4 THR N . 34108 1 53 . 1 1 5 5 SER H H 1 8.167 0.020 . 1 . . . A 5 SER H . 34108 1 54 . 1 1 5 5 SER HA H 1 4.428 0.020 . 1 . . . A 5 SER HA . 34108 1 55 . 1 1 5 5 SER HB2 H 1 4.017 0.020 . 2 . . . A 5 SER HB2 . 34108 1 56 . 1 1 5 5 SER HB3 H 1 3.949 0.020 . 2 . . . A 5 SER HB3 . 34108 1 57 . 1 1 5 5 SER C C 13 174.662 0.400 . 1 . . . A 5 SER C . 34108 1 58 . 1 1 5 5 SER CA C 13 59.262 0.400 . 1 . . . A 5 SER CA . 34108 1 59 . 1 1 5 5 SER CB C 13 63.327 0.400 . 1 . . . A 5 SER CB . 34108 1 60 . 1 1 5 5 SER N N 15 116.805 0.400 . 1 . . . A 5 SER N . 34108 1 61 . 1 1 6 6 GLN H H 1 8.305 0.020 . 1 . . . A 6 GLN H . 34108 1 62 . 1 1 6 6 GLN HA H 1 4.312 0.020 . 1 . . . A 6 GLN HA . 34108 1 63 . 1 1 6 6 GLN HB2 H 1 2.191 0.020 . 2 . . . A 6 GLN HB2 . 34108 1 64 . 1 1 6 6 GLN HB3 H 1 2.083 0.020 . 2 . . . A 6 GLN HB3 . 34108 1 65 . 1 1 6 6 GLN HG2 H 1 2.427 0.020 . 2 . . . A 6 GLN HG2 . 34108 1 66 . 1 1 6 6 GLN HG3 H 1 2.427 0.020 . 2 . . . A 6 GLN HG3 . 34108 1 67 . 1 1 6 6 GLN C C 13 176.684 0.400 . 1 . . . A 6 GLN C . 34108 1 68 . 1 1 6 6 GLN CA C 13 56.682 0.400 . 1 . . . A 6 GLN CA . 34108 1 69 . 1 1 6 6 GLN CB C 13 28.719 0.400 . 1 . . . A 6 GLN CB . 34108 1 70 . 1 1 6 6 GLN CG C 13 33.595 0.400 . 1 . . . A 6 GLN CG . 34108 1 71 . 1 1 6 6 GLN N N 15 120.942 0.400 . 1 . . . A 6 GLN N . 34108 1 72 . 1 1 7 7 MET H H 1 8.134 0.020 . 1 . . . A 7 MET H . 34108 1 73 . 1 1 7 7 MET HA H 1 4.409 0.020 . 1 . . . A 7 MET HA . 34108 1 74 . 1 1 7 7 MET HB2 H 1 2.105 0.020 . 2 . . . A 7 MET HB2 . 34108 1 75 . 1 1 7 7 MET HB3 H 1 2.105 0.020 . 2 . . . A 7 MET HB3 . 34108 1 76 . 1 1 7 7 MET HG2 H 1 2.583 0.020 . 2 . . . A 7 MET HG2 . 34108 1 77 . 1 1 7 7 MET HG3 H 1 2.583 0.020 . 2 . . . A 7 MET HG3 . 34108 1 78 . 1 1 7 7 MET HE1 H 1 2.100 0.020 . 1 . . . A 7 MET HE1 . 34108 1 79 . 1 1 7 7 MET HE2 H 1 2.100 0.020 . 1 . . . A 7 MET HE2 . 34108 1 80 . 1 1 7 7 MET HE3 H 1 2.100 0.020 . 1 . . . A 7 MET HE3 . 34108 1 81 . 1 1 7 7 MET C C 13 175.938 0.400 . 1 . . . A 7 MET C . 34108 1 82 . 1 1 7 7 MET CA C 13 56.290 0.400 . 1 . . . A 7 MET CA . 34108 1 83 . 1 1 7 7 MET CB C 13 32.704 0.400 . 1 . . . A 7 MET CB . 34108 1 84 . 1 1 7 7 MET CG C 13 32.052 0.400 . 1 . . . A 7 MET CG . 34108 1 85 . 1 1 7 7 MET CE C 13 17.000 0.400 . 1 . . . A 7 MET CE . 34108 1 86 . 1 1 7 7 MET N N 15 119.747 0.400 . 1 . . . A 7 MET N . 34108 1 87 . 1 1 8 8 ASN H H 1 8.087 0.020 . 1 . . . A 8 ASN H . 34108 1 88 . 1 1 8 8 ASN HA H 1 4.600 0.020 . 1 . . . A 8 ASN HA . 34108 1 89 . 1 1 8 8 ASN HB2 H 1 2.991 0.020 . 2 . . . A 8 ASN HB2 . 34108 1 90 . 1 1 8 8 ASN HB3 H 1 2.885 0.020 . 2 . . . A 8 ASN HB3 . 34108 1 91 . 1 1 8 8 ASN HD21 H 1 6.869 0.020 . 2 . . . A 8 ASN HD21 . 34108 1 92 . 1 1 8 8 ASN HD22 H 1 7.599 0.020 . 2 . . . A 8 ASN HD22 . 34108 1 93 . 1 1 8 8 ASN C C 13 176.233 0.400 . 1 . . . A 8 ASN C . 34108 1 94 . 1 1 8 8 ASN CA C 13 54.218 0.400 . 1 . . . A 8 ASN CA . 34108 1 95 . 1 1 8 8 ASN CB C 13 38.571 0.400 . 1 . . . A 8 ASN CB . 34108 1 96 . 1 1 8 8 ASN N N 15 119.215 0.400 . 1 . . . A 8 ASN N . 34108 1 97 . 1 1 8 8 ASN ND2 N 15 112.563 0.400 . 1 . . . A 8 ASN ND2 . 34108 1 98 . 1 1 9 9 LYS H H 1 8.489 0.020 . 1 . . . A 9 LYS H . 34108 1 99 . 1 1 9 9 LYS HA H 1 3.978 0.020 . 1 . . . A 9 LYS HA . 34108 1 100 . 1 1 9 9 LYS HB2 H 1 1.904 0.020 . 2 . . . A 9 LYS HB2 . 34108 1 101 . 1 1 9 9 LYS HB3 H 1 1.992 0.020 . 2 . . . A 9 LYS HB3 . 34108 1 102 . 1 1 9 9 LYS HG2 H 1 1.456 0.020 . 2 . . . A 9 LYS HG2 . 34108 1 103 . 1 1 9 9 LYS HG3 H 1 1.650 0.020 . 2 . . . A 9 LYS HG3 . 34108 1 104 . 1 1 9 9 LYS HD2 H 1 1.775 0.020 . 2 . . . A 9 LYS HD2 . 34108 1 105 . 1 1 9 9 LYS HD3 H 1 1.775 0.020 . 2 . . . A 9 LYS HD3 . 34108 1 106 . 1 1 9 9 LYS HE2 H 1 3.027 0.020 . 2 . . . A 9 LYS HE2 . 34108 1 107 . 1 1 9 9 LYS HE3 H 1 3.027 0.020 . 2 . . . A 9 LYS HE3 . 34108 1 108 . 1 1 9 9 LYS C C 13 177.745 0.400 . 1 . . . A 9 LYS C . 34108 1 109 . 1 1 9 9 LYS CA C 13 59.764 0.400 . 1 . . . A 9 LYS CA . 34108 1 110 . 1 1 9 9 LYS CB C 13 32.357 0.400 . 1 . . . A 9 LYS CB . 34108 1 111 . 1 1 9 9 LYS CG C 13 25.436 0.400 . 1 . . . A 9 LYS CG . 34108 1 112 . 1 1 9 9 LYS CD C 13 29.299 0.400 . 1 . . . A 9 LYS CD . 34108 1 113 . 1 1 9 9 LYS CE C 13 41.722 0.400 . 1 . . . A 9 LYS CE . 34108 1 114 . 1 1 9 9 LYS N N 15 120.473 0.400 . 1 . . . A 9 LYS N . 34108 1 115 . 1 1 10 10 THR H H 1 8.072 0.020 . 1 . . . A 10 THR H . 34108 1 116 . 1 1 10 10 THR HA H 1 3.962 0.020 . 1 . . . A 10 THR HA . 34108 1 117 . 1 1 10 10 THR HB H 1 4.358 0.020 . 1 . . . A 10 THR HB . 34108 1 118 . 1 1 10 10 THR HG1 H 1 1.001 0.020 . 1 . . . A 10 THR HG1 . 34108 1 119 . 1 1 10 10 THR HG21 H 1 1.226 0.020 . 1 . . . A 10 THR HG21 . 34108 1 120 . 1 1 10 10 THR HG22 H 1 1.226 0.020 . 1 . . . A 10 THR HG22 . 34108 1 121 . 1 1 10 10 THR HG23 H 1 1.226 0.020 . 1 . . . A 10 THR HG23 . 34108 1 122 . 1 1 10 10 THR C C 13 175.751 0.400 . 1 . . . A 10 THR C . 34108 1 123 . 1 1 10 10 THR CA C 13 66.557 0.400 . 1 . . . A 10 THR CA . 34108 1 124 . 1 1 10 10 THR CB C 13 67.885 0.400 . 1 . . . A 10 THR CB . 34108 1 125 . 1 1 10 10 THR CG2 C 13 21.721 0.400 . 1 . . . A 10 THR CG2 . 34108 1 126 . 1 1 10 10 THR N N 15 116.731 0.400 . 1 . . . A 10 THR N . 34108 1 127 . 1 1 11 11 ILE H H 1 8.239 0.020 . 1 . . . A 11 ILE H . 34108 1 128 . 1 1 11 11 ILE HA H 1 3.743 0.020 . 1 . . . A 11 ILE HA . 34108 1 129 . 1 1 11 11 ILE HB H 1 2.027 0.020 . 1 . . . A 11 ILE HB . 34108 1 130 . 1 1 11 11 ILE HG12 H 1 1.770 0.020 . 2 . . . A 11 ILE HG12 . 34108 1 131 . 1 1 11 11 ILE HG13 H 1 1.221 0.020 . 2 . . . A 11 ILE HG13 . 34108 1 132 . 1 1 11 11 ILE HG21 H 1 0.926 0.020 . 1 . . . A 11 ILE HG21 . 34108 1 133 . 1 1 11 11 ILE HG22 H 1 0.926 0.020 . 1 . . . A 11 ILE HG22 . 34108 1 134 . 1 1 11 11 ILE HG23 H 1 0.926 0.020 . 1 . . . A 11 ILE HG23 . 34108 1 135 . 1 1 11 11 ILE HD11 H 1 0.920 0.020 . 1 . . . A 11 ILE HD11 . 34108 1 136 . 1 1 11 11 ILE HD12 H 1 0.920 0.020 . 1 . . . A 11 ILE HD12 . 34108 1 137 . 1 1 11 11 ILE HD13 H 1 0.920 0.020 . 1 . . . A 11 ILE HD13 . 34108 1 138 . 1 1 11 11 ILE C C 13 179.017 0.400 . 1 . . . A 11 ILE C . 34108 1 139 . 1 1 11 11 ILE CA C 13 64.576 0.400 . 1 . . . A 11 ILE CA . 34108 1 140 . 1 1 11 11 ILE CB C 13 37.237 0.400 . 1 . . . A 11 ILE CB . 34108 1 141 . 1 1 11 11 ILE CG1 C 13 28.949 0.400 . 1 . . . A 11 ILE CG1 . 34108 1 142 . 1 1 11 11 ILE CG2 C 13 17.300 0.400 . 1 . . . A 11 ILE CG2 . 34108 1 143 . 1 1 11 11 ILE CD1 C 13 12.673 0.400 . 1 . . . A 11 ILE CD1 . 34108 1 144 . 1 1 11 11 ILE N N 15 120.819 0.400 . 1 . . . A 11 ILE N . 34108 1 145 . 1 1 12 12 ILE H H 1 8.299 0.020 . 1 . . . A 12 ILE H . 34108 1 146 . 1 1 12 12 ILE HA H 1 3.689 0.020 . 1 . . . A 12 ILE HA . 34108 1 147 . 1 1 12 12 ILE HB H 1 2.005 0.020 . 1 . . . A 12 ILE HB . 34108 1 148 . 1 1 12 12 ILE HG12 H 1 1.838 0.020 . 2 . . . A 12 ILE HG12 . 34108 1 149 . 1 1 12 12 ILE HG13 H 1 1.127 0.020 . 2 . . . A 12 ILE HG13 . 34108 1 150 . 1 1 12 12 ILE HG21 H 1 0.917 0.020 . 1 . . . A 12 ILE HG21 . 34108 1 151 . 1 1 12 12 ILE HG22 H 1 0.917 0.020 . 1 . . . A 12 ILE HG22 . 34108 1 152 . 1 1 12 12 ILE HG23 H 1 0.917 0.020 . 1 . . . A 12 ILE HG23 . 34108 1 153 . 1 1 12 12 ILE HD11 H 1 0.880 0.020 . 1 . . . A 12 ILE HD11 . 34108 1 154 . 1 1 12 12 ILE HD12 H 1 0.880 0.020 . 1 . . . A 12 ILE HD12 . 34108 1 155 . 1 1 12 12 ILE HD13 H 1 0.880 0.020 . 1 . . . A 12 ILE HD13 . 34108 1 156 . 1 1 12 12 ILE C C 13 177.493 0.400 . 1 . . . A 12 ILE C . 34108 1 157 . 1 1 12 12 ILE CA C 13 65.231 0.400 . 1 . . . A 12 ILE CA . 34108 1 158 . 1 1 12 12 ILE CB C 13 37.237 0.400 . 1 . . . A 12 ILE CB . 34108 1 159 . 1 1 12 12 ILE CG1 C 13 28.972 0.400 . 1 . . . A 12 ILE CG1 . 34108 1 160 . 1 1 12 12 ILE CG2 C 13 17.134 0.400 . 1 . . . A 12 ILE CG2 . 34108 1 161 . 1 1 12 12 ILE CD1 C 13 12.706 0.400 . 1 . . . A 12 ILE CD1 . 34108 1 162 . 1 1 12 12 ILE N N 15 121.910 0.400 . 1 . . . A 12 ILE N . 34108 1 163 . 1 1 13 13 GLY H H 1 8.577 0.020 . 1 . . . A 13 GLY H . 34108 1 164 . 1 1 13 13 GLY HA2 H 1 3.826 0.020 . 2 . . . A 13 GLY HA2 . 34108 1 165 . 1 1 13 13 GLY HA3 H 1 3.694 0.020 . 2 . . . A 13 GLY HA3 . 34108 1 166 . 1 1 13 13 GLY C C 13 174.896 0.400 . 1 . . . A 13 GLY C . 34108 1 167 . 1 1 13 13 GLY CA C 13 47.757 0.400 . 1 . . . A 13 GLY CA . 34108 1 168 . 1 1 13 13 GLY N N 15 107.415 0.400 . 1 . . . A 13 GLY N . 34108 1 169 . 1 1 14 14 VAL H H 1 8.796 0.020 . 1 . . . A 14 VAL H . 34108 1 170 . 1 1 14 14 VAL HA H 1 3.691 0.020 . 1 . . . A 14 VAL HA . 34108 1 171 . 1 1 14 14 VAL HB H 1 2.202 0.020 . 1 . . . A 14 VAL HB . 34108 1 172 . 1 1 14 14 VAL HG11 H 1 0.967 0.020 . 2 . . . A 14 VAL HG11 . 34108 1 173 . 1 1 14 14 VAL HG12 H 1 0.967 0.020 . 2 . . . A 14 VAL HG12 . 34108 1 174 . 1 1 14 14 VAL HG13 H 1 0.967 0.020 . 2 . . . A 14 VAL HG13 . 34108 1 175 . 1 1 14 14 VAL HG21 H 1 1.117 0.020 . 2 . . . A 14 VAL HG21 . 34108 1 176 . 1 1 14 14 VAL HG22 H 1 1.117 0.020 . 2 . . . A 14 VAL HG22 . 34108 1 177 . 1 1 14 14 VAL HG23 H 1 1.117 0.020 . 2 . . . A 14 VAL HG23 . 34108 1 178 . 1 1 14 14 VAL C C 13 178.690 0.400 . 1 . . . A 14 VAL C . 34108 1 179 . 1 1 14 14 VAL CA C 13 66.325 0.400 . 1 . . . A 14 VAL CA . 34108 1 180 . 1 1 14 14 VAL CB C 13 31.272 0.400 . 1 . . . A 14 VAL CB . 34108 1 181 . 1 1 14 14 VAL CG1 C 13 21.416 0.400 . 2 . . . A 14 VAL CG1 . 34108 1 182 . 1 1 14 14 VAL CG2 C 13 23.127 0.400 . 2 . . . A 14 VAL CG2 . 34108 1 183 . 1 1 14 14 VAL N N 15 119.290 0.400 . 1 . . . A 14 VAL N . 34108 1 184 . 1 1 15 15 SER H H 1 8.338 0.020 . 1 . . . A 15 SER H . 34108 1 185 . 1 1 15 15 SER HA H 1 4.132 0.020 . 1 . . . A 15 SER HA . 34108 1 186 . 1 1 15 15 SER HB2 H 1 3.663 0.020 . 2 . . . A 15 SER HB2 . 34108 1 187 . 1 1 15 15 SER HB3 H 1 3.663 0.020 . 2 . . . A 15 SER HB3 . 34108 1 188 . 1 1 15 15 SER C C 13 175.114 0.400 . 1 . . . A 15 SER C . 34108 1 189 . 1 1 15 15 SER CA C 13 63.651 0.400 . 1 . . . A 15 SER CA . 34108 1 190 . 1 1 15 15 SER CB C 13 62.533 0.400 . 1 . . . A 15 SER CB . 34108 1 191 . 1 1 15 15 SER N N 15 120.083 0.400 . 1 . . . A 15 SER N . 34108 1 192 . 1 1 16 16 VAL H H 1 8.416 0.020 . 1 . . . A 16 VAL H . 34108 1 193 . 1 1 16 16 VAL HA H 1 3.530 0.020 . 1 . . . A 16 VAL HA . 34108 1 194 . 1 1 16 16 VAL HB H 1 2.188 0.020 . 1 . . . A 16 VAL HB . 34108 1 195 . 1 1 16 16 VAL HG11 H 1 0.907 0.020 . 2 . . . A 16 VAL HG11 . 34108 1 196 . 1 1 16 16 VAL HG12 H 1 0.907 0.020 . 2 . . . A 16 VAL HG12 . 34108 1 197 . 1 1 16 16 VAL HG13 H 1 0.907 0.020 . 2 . . . A 16 VAL HG13 . 34108 1 198 . 1 1 16 16 VAL HG21 H 1 1.078 0.020 . 2 . . . A 16 VAL HG21 . 34108 1 199 . 1 1 16 16 VAL HG22 H 1 1.078 0.020 . 2 . . . A 16 VAL HG22 . 34108 1 200 . 1 1 16 16 VAL HG23 H 1 1.078 0.020 . 2 . . . A 16 VAL HG23 . 34108 1 201 . 1 1 16 16 VAL C C 13 177.260 0.400 . 1 . . . A 16 VAL C . 34108 1 202 . 1 1 16 16 VAL CA C 13 66.832 0.400 . 1 . . . A 16 VAL CA . 34108 1 203 . 1 1 16 16 VAL CB C 13 31.106 0.400 . 1 . . . A 16 VAL CB . 34108 1 204 . 1 1 16 16 VAL CG1 C 13 20.993 0.400 . 2 . . . A 16 VAL CG1 . 34108 1 205 . 1 1 16 16 VAL CG2 C 13 22.802 0.400 . 2 . . . A 16 VAL CG2 . 34108 1 206 . 1 1 16 16 VAL N N 15 120.985 0.400 . 1 . . . A 16 VAL N . 34108 1 207 . 1 1 17 17 LEU H H 1 8.215 0.020 . 1 . . . A 17 LEU H . 34108 1 208 . 1 1 17 17 LEU HA H 1 4.009 0.020 . 1 . . . A 17 LEU HA . 34108 1 209 . 1 1 17 17 LEU HB2 H 1 1.785 0.020 . 2 . . . A 17 LEU HB2 . 34108 1 210 . 1 1 17 17 LEU HB3 H 1 1.676 0.020 . 2 . . . A 17 LEU HB3 . 34108 1 211 . 1 1 17 17 LEU HG H 1 1.789 0.020 . 1 . . . A 17 LEU HG . 34108 1 212 . 1 1 17 17 LEU HD11 H 1 0.831 0.020 . 2 . . . A 17 LEU HD11 . 34108 1 213 . 1 1 17 17 LEU HD12 H 1 0.831 0.020 . 2 . . . A 17 LEU HD12 . 34108 1 214 . 1 1 17 17 LEU HD13 H 1 0.831 0.020 . 2 . . . A 17 LEU HD13 . 34108 1 215 . 1 1 17 17 LEU HD21 H 1 0.903 0.020 . 2 . . . A 17 LEU HD21 . 34108 1 216 . 1 1 17 17 LEU HD22 H 1 0.903 0.020 . 2 . . . A 17 LEU HD22 . 34108 1 217 . 1 1 17 17 LEU HD23 H 1 0.903 0.020 . 2 . . . A 17 LEU HD23 . 34108 1 218 . 1 1 17 17 LEU C C 13 178.130 0.400 . 1 . . . A 17 LEU C . 34108 1 219 . 1 1 17 17 LEU CA C 13 57.999 0.400 . 1 . . . A 17 LEU CA . 34108 1 220 . 1 1 17 17 LEU CB C 13 41.465 0.400 . 1 . . . A 17 LEU CB . 34108 1 221 . 1 1 17 17 LEU CG C 13 26.679 0.400 . 1 . . . A 17 LEU CG . 34108 1 222 . 1 1 17 17 LEU CD1 C 13 23.610 0.400 . 2 . . . A 17 LEU CD1 . 34108 1 223 . 1 1 17 17 LEU CD2 C 13 24.205 0.400 . 2 . . . A 17 LEU CD2 . 34108 1 224 . 1 1 17 17 LEU N N 15 118.178 0.400 . 1 . . . A 17 LEU N . 34108 1 225 . 1 1 18 18 SER H H 1 8.339 0.020 . 1 . . . A 18 SER H . 34108 1 226 . 1 1 18 18 SER HA H 1 4.095 0.020 . 1 . . . A 18 SER HA . 34108 1 227 . 1 1 18 18 SER HB2 H 1 3.692 0.020 . 2 . . . A 18 SER HB2 . 34108 1 228 . 1 1 18 18 SER HB3 H 1 3.475 0.020 . 2 . . . A 18 SER HB3 . 34108 1 229 . 1 1 18 18 SER C C 13 175.222 0.400 . 1 . . . A 18 SER C . 34108 1 230 . 1 1 18 18 SER CA C 13 63.618 0.400 . 1 . . . A 18 SER CA . 34108 1 231 . 1 1 18 18 SER CB C 13 62.605 0.400 . 1 . . . A 18 SER CB . 34108 1 232 . 1 1 18 18 SER N N 15 114.471 0.400 . 1 . . . A 18 SER N . 34108 1 233 . 1 1 19 19 VAL H H 1 7.895 0.020 . 1 . . . A 19 VAL H . 34108 1 234 . 1 1 19 19 VAL HA H 1 3.551 0.020 . 1 . . . A 19 VAL HA . 34108 1 235 . 1 1 19 19 VAL HB H 1 2.195 0.020 . 1 . . . A 19 VAL HB . 34108 1 236 . 1 1 19 19 VAL HG11 H 1 0.888 0.020 . 2 . . . A 19 VAL HG11 . 34108 1 237 . 1 1 19 19 VAL HG12 H 1 0.888 0.020 . 2 . . . A 19 VAL HG12 . 34108 1 238 . 1 1 19 19 VAL HG13 H 1 0.888 0.020 . 2 . . . A 19 VAL HG13 . 34108 1 239 . 1 1 19 19 VAL HG21 H 1 1.062 0.020 . 2 . . . A 19 VAL HG21 . 34108 1 240 . 1 1 19 19 VAL HG22 H 1 1.062 0.020 . 2 . . . A 19 VAL HG22 . 34108 1 241 . 1 1 19 19 VAL HG23 H 1 1.062 0.020 . 2 . . . A 19 VAL HG23 . 34108 1 242 . 1 1 19 19 VAL C C 13 178.410 0.400 . 1 . . . A 19 VAL C . 34108 1 243 . 1 1 19 19 VAL CA C 13 66.456 0.400 . 1 . . . A 19 VAL CA . 34108 1 244 . 1 1 19 19 VAL CB C 13 30.974 0.400 . 1 . . . A 19 VAL CB . 34108 1 245 . 1 1 19 19 VAL CG1 C 13 21.263 0.400 . 2 . . . A 19 VAL CG1 . 34108 1 246 . 1 1 19 19 VAL CG2 C 13 22.826 0.400 . 2 . . . A 19 VAL CG2 . 34108 1 247 . 1 1 19 19 VAL N N 15 120.464 0.400 . 1 . . . A 19 VAL N . 34108 1 248 . 1 1 20 20 LEU H H 1 8.227 0.020 . 1 . . . A 20 LEU H . 34108 1 249 . 1 1 20 20 LEU HA H 1 4.019 0.020 . 1 . . . A 20 LEU HA . 34108 1 250 . 1 1 20 20 LEU HB2 H 1 1.924 0.020 . 2 . . . A 20 LEU HB2 . 34108 1 251 . 1 1 20 20 LEU HB3 H 1 1.725 0.020 . 2 . . . A 20 LEU HB3 . 34108 1 252 . 1 1 20 20 LEU HG H 1 1.732 0.020 . 1 . . . A 20 LEU HG . 34108 1 253 . 1 1 20 20 LEU HD11 H 1 0.881 0.020 . 2 . . . A 20 LEU HD11 . 34108 1 254 . 1 1 20 20 LEU HD12 H 1 0.881 0.020 . 2 . . . A 20 LEU HD12 . 34108 1 255 . 1 1 20 20 LEU HD13 H 1 0.881 0.020 . 2 . . . A 20 LEU HD13 . 34108 1 256 . 1 1 20 20 LEU HD21 H 1 0.838 0.020 . 2 . . . A 20 LEU HD21 . 34108 1 257 . 1 1 20 20 LEU HD22 H 1 0.838 0.020 . 2 . . . A 20 LEU HD22 . 34108 1 258 . 1 1 20 20 LEU HD23 H 1 0.838 0.020 . 2 . . . A 20 LEU HD23 . 34108 1 259 . 1 1 20 20 LEU C C 13 177.738 0.400 . 1 . . . A 20 LEU C . 34108 1 260 . 1 1 20 20 LEU CA C 13 58.429 0.400 . 1 . . . A 20 LEU CA . 34108 1 261 . 1 1 20 20 LEU CB C 13 41.373 0.400 . 1 . . . A 20 LEU CB . 34108 1 262 . 1 1 20 20 LEU CG C 13 26.495 0.400 . 1 . . . A 20 LEU CG . 34108 1 263 . 1 1 20 20 LEU CD1 C 13 24.290 0.400 . 2 . . . A 20 LEU CD1 . 34108 1 264 . 1 1 20 20 LEU CD2 C 13 23.391 0.400 . 2 . . . A 20 LEU CD2 . 34108 1 265 . 1 1 20 20 LEU N N 15 121.937 0.400 . 1 . . . A 20 LEU N . 34108 1 266 . 1 1 21 21 VAL H H 1 8.490 0.020 . 1 . . . A 21 VAL H . 34108 1 267 . 1 1 21 21 VAL HA H 1 3.486 0.020 . 1 . . . A 21 VAL HA . 34108 1 268 . 1 1 21 21 VAL HB H 1 2.201 0.020 . 1 . . . A 21 VAL HB . 34108 1 269 . 1 1 21 21 VAL HG11 H 1 0.888 0.020 . 2 . . . A 21 VAL HG11 . 34108 1 270 . 1 1 21 21 VAL HG12 H 1 0.888 0.020 . 2 . . . A 21 VAL HG12 . 34108 1 271 . 1 1 21 21 VAL HG13 H 1 0.888 0.020 . 2 . . . A 21 VAL HG13 . 34108 1 272 . 1 1 21 21 VAL HG21 H 1 1.058 0.020 . 2 . . . A 21 VAL HG21 . 34108 1 273 . 1 1 21 21 VAL HG22 H 1 1.058 0.020 . 2 . . . A 21 VAL HG22 . 34108 1 274 . 1 1 21 21 VAL HG23 H 1 1.058 0.020 . 2 . . . A 21 VAL HG23 . 34108 1 275 . 1 1 21 21 VAL C C 13 177.229 0.400 . 1 . . . A 21 VAL C . 34108 1 276 . 1 1 21 21 VAL CA C 13 67.292 0.400 . 1 . . . A 21 VAL CA . 34108 1 277 . 1 1 21 21 VAL CB C 13 31.052 0.400 . 1 . . . A 21 VAL CB . 34108 1 278 . 1 1 21 21 VAL CG1 C 13 21.159 0.400 . 2 . . . A 21 VAL CG1 . 34108 1 279 . 1 1 21 21 VAL CG2 C 13 22.935 0.400 . 2 . . . A 21 VAL CG2 . 34108 1 280 . 1 1 21 21 VAL N N 15 117.556 0.400 . 1 . . . A 21 VAL N . 34108 1 281 . 1 1 22 22 VAL H H 1 8.291 0.020 . 1 . . . A 22 VAL H . 34108 1 282 . 1 1 22 22 VAL HA H 1 3.498 0.020 . 1 . . . A 22 VAL HA . 34108 1 283 . 1 1 22 22 VAL HB H 1 2.146 0.020 . 1 . . . A 22 VAL HB . 34108 1 284 . 1 1 22 22 VAL HG11 H 1 0.914 0.020 . 2 . . . A 22 VAL HG11 . 34108 1 285 . 1 1 22 22 VAL HG12 H 1 0.914 0.020 . 2 . . . A 22 VAL HG12 . 34108 1 286 . 1 1 22 22 VAL HG13 H 1 0.914 0.020 . 2 . . . A 22 VAL HG13 . 34108 1 287 . 1 1 22 22 VAL HG21 H 1 1.055 0.020 . 2 . . . A 22 VAL HG21 . 34108 1 288 . 1 1 22 22 VAL HG22 H 1 1.055 0.020 . 2 . . . A 22 VAL HG22 . 34108 1 289 . 1 1 22 22 VAL HG23 H 1 1.055 0.020 . 2 . . . A 22 VAL HG23 . 34108 1 290 . 1 1 22 22 VAL C C 13 176.886 0.400 . 1 . . . A 22 VAL C . 34108 1 291 . 1 1 22 22 VAL CA C 13 66.885 0.400 . 1 . . . A 22 VAL CA . 34108 1 292 . 1 1 22 22 VAL CB C 13 30.994 0.400 . 1 . . . A 22 VAL CB . 34108 1 293 . 1 1 22 22 VAL CG1 C 13 21.209 0.400 . 2 . . . A 22 VAL CG1 . 34108 1 294 . 1 1 22 22 VAL CG2 C 13 23.071 0.400 . 2 . . . A 22 VAL CG2 . 34108 1 295 . 1 1 22 22 VAL N N 15 117.097 0.400 . 1 . . . A 22 VAL N . 34108 1 296 . 1 1 23 23 SER H H 1 8.112 0.020 . 1 . . . A 23 SER H . 34108 1 297 . 1 1 23 23 SER HA H 1 4.071 0.020 . 1 . . . A 23 SER HA . 34108 1 298 . 1 1 23 23 SER HB2 H 1 3.597 0.020 . 2 . . . A 23 SER HB2 . 34108 1 299 . 1 1 23 23 SER HB3 H 1 3.908 0.020 . 2 . . . A 23 SER HB3 . 34108 1 300 . 1 1 23 23 SER C C 13 174.880 0.400 . 1 . . . A 23 SER C . 34108 1 301 . 1 1 23 23 SER CA C 13 63.519 0.400 . 1 . . . A 23 SER CA . 34108 1 302 . 1 1 23 23 SER CB C 13 62.822 0.400 . 1 . . . A 23 SER CB . 34108 1 303 . 1 1 23 23 SER N N 15 115.347 0.400 . 1 . . . A 23 SER N . 34108 1 304 . 1 1 24 24 VAL H H 1 8.002 0.020 . 1 . . . A 24 VAL H . 34108 1 305 . 1 1 24 24 VAL HA H 1 3.594 0.020 . 1 . . . A 24 VAL HA . 34108 1 306 . 1 1 24 24 VAL HB H 1 2.266 0.020 . 1 . . . A 24 VAL HB . 34108 1 307 . 1 1 24 24 VAL HG11 H 1 0.929 0.020 . 2 . . . A 24 VAL HG11 . 34108 1 308 . 1 1 24 24 VAL HG12 H 1 0.929 0.020 . 2 . . . A 24 VAL HG12 . 34108 1 309 . 1 1 24 24 VAL HG13 H 1 0.929 0.020 . 2 . . . A 24 VAL HG13 . 34108 1 310 . 1 1 24 24 VAL HG21 H 1 1.077 0.020 . 2 . . . A 24 VAL HG21 . 34108 1 311 . 1 1 24 24 VAL HG22 H 1 1.077 0.020 . 2 . . . A 24 VAL HG22 . 34108 1 312 . 1 1 24 24 VAL HG23 H 1 1.077 0.020 . 2 . . . A 24 VAL HG23 . 34108 1 313 . 1 1 24 24 VAL C C 13 177.337 0.400 . 1 . . . A 24 VAL C . 34108 1 314 . 1 1 24 24 VAL CA C 13 66.686 0.400 . 1 . . . A 24 VAL CA . 34108 1 315 . 1 1 24 24 VAL CB C 13 31.187 0.400 . 1 . . . A 24 VAL CB . 34108 1 316 . 1 1 24 24 VAL CG1 C 13 21.258 0.400 . 2 . . . A 24 VAL CG1 . 34108 1 317 . 1 1 24 24 VAL CG2 C 13 23.048 0.400 . 2 . . . A 24 VAL CG2 . 34108 1 318 . 1 1 24 24 VAL N N 15 120.096 0.400 . 1 . . . A 24 VAL N . 34108 1 319 . 1 1 25 25 VAL H H 1 8.232 0.020 . 1 . . . A 25 VAL H . 34108 1 320 . 1 1 25 25 VAL HA H 1 3.500 0.020 . 1 . . . A 25 VAL HA . 34108 1 321 . 1 1 25 25 VAL HB H 1 2.232 0.020 . 1 . . . A 25 VAL HB . 34108 1 322 . 1 1 25 25 VAL HG11 H 1 0.913 0.020 . 2 . . . A 25 VAL HG11 . 34108 1 323 . 1 1 25 25 VAL HG12 H 1 0.913 0.020 . 2 . . . A 25 VAL HG12 . 34108 1 324 . 1 1 25 25 VAL HG13 H 1 0.913 0.020 . 2 . . . A 25 VAL HG13 . 34108 1 325 . 1 1 25 25 VAL HG21 H 1 1.041 0.020 . 2 . . . A 25 VAL HG21 . 34108 1 326 . 1 1 25 25 VAL HG22 H 1 1.041 0.020 . 2 . . . A 25 VAL HG22 . 34108 1 327 . 1 1 25 25 VAL HG23 H 1 1.041 0.020 . 2 . . . A 25 VAL HG23 . 34108 1 328 . 1 1 25 25 VAL C C 13 176.863 0.400 . 1 . . . A 25 VAL C . 34108 1 329 . 1 1 25 25 VAL CA C 13 67.319 0.400 . 1 . . . A 25 VAL CA . 34108 1 330 . 1 1 25 25 VAL CB C 13 30.907 0.400 . 1 . . . A 25 VAL CB . 34108 1 331 . 1 1 25 25 VAL CG1 C 13 21.490 0.400 . 2 . . . A 25 VAL CG1 . 34108 1 332 . 1 1 25 25 VAL CG2 C 13 23.176 0.400 . 2 . . . A 25 VAL CG2 . 34108 1 333 . 1 1 25 25 VAL N N 15 118.473 0.400 . 1 . . . A 25 VAL N . 34108 1 334 . 1 1 26 26 ALA H H 1 8.683 0.020 . 1 . . . A 26 ALA H . 34108 1 335 . 1 1 26 26 ALA HA H 1 3.962 0.020 . 1 . . . A 26 ALA HA . 34108 1 336 . 1 1 26 26 ALA HB1 H 1 1.530 0.020 . 1 . . . A 26 ALA HB1 . 34108 1 337 . 1 1 26 26 ALA HB2 H 1 1.530 0.020 . 1 . . . A 26 ALA HB2 . 34108 1 338 . 1 1 26 26 ALA HB3 H 1 1.530 0.020 . 1 . . . A 26 ALA HB3 . 34108 1 339 . 1 1 26 26 ALA C C 13 178.690 0.400 . 1 . . . A 26 ALA C . 34108 1 340 . 1 1 26 26 ALA CA C 13 55.684 0.400 . 1 . . . A 26 ALA CA . 34108 1 341 . 1 1 26 26 ALA CB C 13 17.954 0.400 . 1 . . . A 26 ALA CB . 34108 1 342 . 1 1 26 26 ALA N N 15 120.583 0.400 . 1 . . . A 26 ALA N . 34108 1 343 . 1 1 27 27 VAL H H 1 7.966 0.020 . 1 . . . A 27 VAL H . 34108 1 344 . 1 1 27 27 VAL HA H 1 3.757 0.020 . 1 . . . A 27 VAL HA . 34108 1 345 . 1 1 27 27 VAL HB H 1 2.301 0.020 . 1 . . . A 27 VAL HB . 34108 1 346 . 1 1 27 27 VAL HG11 H 1 1.053 0.020 . 2 . . . A 27 VAL HG11 . 34108 1 347 . 1 1 27 27 VAL HG12 H 1 1.053 0.020 . 2 . . . A 27 VAL HG12 . 34108 1 348 . 1 1 27 27 VAL HG13 H 1 1.053 0.020 . 2 . . . A 27 VAL HG13 . 34108 1 349 . 1 1 27 27 VAL HG21 H 1 1.160 0.020 . 2 . . . A 27 VAL HG21 . 34108 1 350 . 1 1 27 27 VAL HG22 H 1 1.160 0.020 . 2 . . . A 27 VAL HG22 . 34108 1 351 . 1 1 27 27 VAL HG23 H 1 1.160 0.020 . 2 . . . A 27 VAL HG23 . 34108 1 352 . 1 1 27 27 VAL C C 13 177.547 0.400 . 1 . . . A 27 VAL C . 34108 1 353 . 1 1 27 27 VAL CA C 13 66.625 0.400 . 1 . . . A 27 VAL CA . 34108 1 354 . 1 1 27 27 VAL CB C 13 31.109 0.400 . 1 . . . A 27 VAL CB . 34108 1 355 . 1 1 27 27 VAL CG1 C 13 21.483 0.400 . 2 . . . A 27 VAL CG1 . 34108 1 356 . 1 1 27 27 VAL CG2 C 13 23.042 0.400 . 2 . . . A 27 VAL CG2 . 34108 1 357 . 1 1 27 27 VAL N N 15 115.937 0.400 . 1 . . . A 27 VAL N . 34108 1 358 . 1 1 28 28 LEU H H 1 8.232 0.020 . 1 . . . A 28 LEU H . 34108 1 359 . 1 1 28 28 LEU HA H 1 4.130 0.020 . 1 . . . A 28 LEU HA . 34108 1 360 . 1 1 28 28 LEU HB2 H 1 2.150 0.020 . 2 . . . A 28 LEU HB2 . 34108 1 361 . 1 1 28 28 LEU HB3 H 1 1.504 0.020 . 2 . . . A 28 LEU HB3 . 34108 1 362 . 1 1 28 28 LEU HG H 1 2.054 0.020 . 1 . . . A 28 LEU HG . 34108 1 363 . 1 1 28 28 LEU HD11 H 1 0.882 0.020 . 2 . . . A 28 LEU HD11 . 34108 1 364 . 1 1 28 28 LEU HD12 H 1 0.882 0.020 . 2 . . . A 28 LEU HD12 . 34108 1 365 . 1 1 28 28 LEU HD13 H 1 0.882 0.020 . 2 . . . A 28 LEU HD13 . 34108 1 366 . 1 1 28 28 LEU HD21 H 1 0.926 0.020 . 2 . . . A 28 LEU HD21 . 34108 1 367 . 1 1 28 28 LEU HD22 H 1 0.926 0.020 . 2 . . . A 28 LEU HD22 . 34108 1 368 . 1 1 28 28 LEU HD23 H 1 0.926 0.020 . 2 . . . A 28 LEU HD23 . 34108 1 369 . 1 1 28 28 LEU C C 13 178.768 0.400 . 1 . . . A 28 LEU C . 34108 1 370 . 1 1 28 28 LEU CA C 13 58.286 0.400 . 1 . . . A 28 LEU CA . 34108 1 371 . 1 1 28 28 LEU CB C 13 41.579 0.400 . 1 . . . A 28 LEU CB . 34108 1 372 . 1 1 28 28 LEU CG C 13 26.361 0.400 . 1 . . . A 28 LEU CG . 34108 1 373 . 1 1 28 28 LEU CD1 C 13 25.681 0.400 . 2 . . . A 28 LEU CD1 . 34108 1 374 . 1 1 28 28 LEU CD2 C 13 22.993 0.400 . 2 . . . A 28 LEU CD2 . 34108 1 375 . 1 1 28 28 LEU N N 15 119.236 0.400 . 1 . . . A 28 LEU N . 34108 1 376 . 1 1 29 29 VAL H H 1 8.833 0.020 . 1 . . . A 29 VAL H . 34108 1 377 . 1 1 29 29 VAL HA H 1 3.694 0.020 . 1 . . . A 29 VAL HA . 34108 1 378 . 1 1 29 29 VAL HB H 1 2.299 0.020 . 1 . . . A 29 VAL HB . 34108 1 379 . 1 1 29 29 VAL HG11 H 1 1.022 0.020 . 2 . . . A 29 VAL HG11 . 34108 1 380 . 1 1 29 29 VAL HG12 H 1 1.022 0.020 . 2 . . . A 29 VAL HG12 . 34108 1 381 . 1 1 29 29 VAL HG13 H 1 1.022 0.020 . 2 . . . A 29 VAL HG13 . 34108 1 382 . 1 1 29 29 VAL HG21 H 1 1.102 0.020 . 2 . . . A 29 VAL HG21 . 34108 1 383 . 1 1 29 29 VAL HG22 H 1 1.102 0.020 . 2 . . . A 29 VAL HG22 . 34108 1 384 . 1 1 29 29 VAL HG23 H 1 1.102 0.020 . 2 . . . A 29 VAL HG23 . 34108 1 385 . 1 1 29 29 VAL C C 13 176.980 0.400 . 1 . . . A 29 VAL C . 34108 1 386 . 1 1 29 29 VAL CA C 13 66.913 0.400 . 1 . . . A 29 VAL CA . 34108 1 387 . 1 1 29 29 VAL CB C 13 30.856 0.400 . 1 . . . A 29 VAL CB . 34108 1 388 . 1 1 29 29 VAL CG1 C 13 21.819 0.400 . 2 . . . A 29 VAL CG1 . 34108 1 389 . 1 1 29 29 VAL CG2 C 13 23.280 0.400 . 2 . . . A 29 VAL CG2 . 34108 1 390 . 1 1 29 29 VAL N N 15 118.474 0.400 . 1 . . . A 29 VAL N . 34108 1 391 . 1 1 30 30 TYR H H 1 8.451 0.020 . 1 . . . A 30 TYR H . 34108 1 392 . 1 1 30 30 TYR HA H 1 4.209 0.020 . 1 . . . A 30 TYR HA . 34108 1 393 . 1 1 30 30 TYR HB2 H 1 3.391 0.020 . 2 . . . A 30 TYR HB2 . 34108 1 394 . 1 1 30 30 TYR HB3 H 1 3.124 0.020 . 2 . . . A 30 TYR HB3 . 34108 1 395 . 1 1 30 30 TYR HD1 H 1 7.021 0.020 . 1 . . . A 30 TYR HD1 . 34108 1 396 . 1 1 30 30 TYR HD2 H 1 7.021 0.020 . 1 . . . A 30 TYR HD2 . 34108 1 397 . 1 1 30 30 TYR HE1 H 1 6.796 0.020 . 1 . . . A 30 TYR HE1 . 34108 1 398 . 1 1 30 30 TYR HE2 H 1 6.796 0.020 . 1 . . . A 30 TYR HE2 . 34108 1 399 . 1 1 30 30 TYR C C 13 177.073 0.400 . 1 . . . A 30 TYR C . 34108 1 400 . 1 1 30 30 TYR CA C 13 62.033 0.400 . 1 . . . A 30 TYR CA . 34108 1 401 . 1 1 30 30 TYR CB C 13 38.455 0.400 . 1 . . . A 30 TYR CB . 34108 1 402 . 1 1 30 30 TYR CD1 C 13 132.586 0.400 . 3 . . . A 30 TYR CD1 . 34108 1 403 . 1 1 30 30 TYR CE1 C 13 117.920 0.400 . 3 . . . A 30 TYR CE1 . 34108 1 404 . 1 1 30 30 TYR N N 15 119.971 0.400 . 1 . . . A 30 TYR N . 34108 1 405 . 1 1 31 31 LYS H H 1 8.736 0.020 . 1 . . . A 31 LYS H . 34108 1 406 . 1 1 31 31 LYS HA H 1 4.036 0.020 . 1 . . . A 31 LYS HA . 34108 1 407 . 1 1 31 31 LYS HB2 H 1 2.033 0.020 . 2 . . . A 31 LYS HB2 . 34108 1 408 . 1 1 31 31 LYS HB3 H 1 2.033 0.020 . 2 . . . A 31 LYS HB3 . 34108 1 409 . 1 1 31 31 LYS HG2 H 1 1.254 0.020 . 2 . . . A 31 LYS HG2 . 34108 1 410 . 1 1 31 31 LYS HG3 H 1 1.254 0.020 . 2 . . . A 31 LYS HG3 . 34108 1 411 . 1 1 31 31 LYS HD2 H 1 1.709 0.020 . 2 . . . A 31 LYS HD2 . 34108 1 412 . 1 1 31 31 LYS HD3 H 1 1.709 0.020 . 2 . . . A 31 LYS HD3 . 34108 1 413 . 1 1 31 31 LYS HE2 H 1 2.976 0.020 . 2 . . . A 31 LYS HE2 . 34108 1 414 . 1 1 31 31 LYS HE3 H 1 2.976 0.020 . 2 . . . A 31 LYS HE3 . 34108 1 415 . 1 1 31 31 LYS C C 13 179.219 0.400 . 1 . . . A 31 LYS C . 34108 1 416 . 1 1 31 31 LYS CA C 13 58.892 0.400 . 1 . . . A 31 LYS CA . 34108 1 417 . 1 1 31 31 LYS CB C 13 32.085 0.400 . 1 . . . A 31 LYS CB . 34108 1 418 . 1 1 31 31 LYS CG C 13 24.823 0.400 . 1 . . . A 31 LYS CG . 34108 1 419 . 1 1 31 31 LYS CD C 13 28.702 0.400 . 1 . . . A 31 LYS CD . 34108 1 420 . 1 1 31 31 LYS CE C 13 41.531 0.400 . 1 . . . A 31 LYS CE . 34108 1 421 . 1 1 31 31 LYS N N 15 117.027 0.400 . 1 . . . A 31 LYS N . 34108 1 422 . 1 1 32 32 PHE H H 1 8.580 0.020 . 1 . . . A 32 PHE H . 34108 1 423 . 1 1 32 32 PHE HA H 1 4.611 0.020 . 1 . . . A 32 PHE HA . 34108 1 424 . 1 1 32 32 PHE HB2 H 1 3.169 0.020 . 2 . . . A 32 PHE HB2 . 34108 1 425 . 1 1 32 32 PHE HB3 H 1 3.347 0.020 . 2 . . . A 32 PHE HB3 . 34108 1 426 . 1 1 32 32 PHE HD1 H 1 7.174 0.020 . 1 . . . A 32 PHE HD1 . 34108 1 427 . 1 1 32 32 PHE HD2 H 1 7.174 0.020 . 1 . . . A 32 PHE HD2 . 34108 1 428 . 1 1 32 32 PHE HE1 H 1 7.209 0.020 . 1 . . . A 32 PHE HE1 . 34108 1 429 . 1 1 32 32 PHE HE2 H 1 7.209 0.020 . 1 . . . A 32 PHE HE2 . 34108 1 430 . 1 1 32 32 PHE HZ H 1 7.312 0.020 . 1 . . . A 32 PHE HZ . 34108 1 431 . 1 1 32 32 PHE C C 13 176.339 0.400 . 1 . . . A 32 PHE C . 34108 1 432 . 1 1 32 32 PHE CA C 13 66.887 0.400 . 1 . . . A 32 PHE CA . 34108 1 433 . 1 1 32 32 PHE CB C 13 38.976 0.400 . 1 . . . A 32 PHE CB . 34108 1 434 . 1 1 32 32 PHE CD1 C 13 131.469 0.400 . 3 . . . A 32 PHE CD1 . 34108 1 435 . 1 1 32 32 PHE CE1 C 13 130.469 0.400 . 3 . . . A 32 PHE CE1 . 34108 1 436 . 1 1 32 32 PHE CZ C 13 129.646 0.400 . 1 . . . A 32 PHE CZ . 34108 1 437 . 1 1 32 32 PHE N N 15 118.393 0.400 . 1 . . . A 32 PHE N . 34108 1 438 . 1 1 33 33 TYR H H 1 8.477 0.020 . 1 . . . A 33 TYR H . 34108 1 439 . 1 1 33 33 TYR HA H 1 4.022 0.020 . 1 . . . A 33 TYR HA . 34108 1 440 . 1 1 33 33 TYR HB2 H 1 3.401 0.020 . 2 . . . A 33 TYR HB2 . 34108 1 441 . 1 1 33 33 TYR HB3 H 1 3.097 0.020 . 2 . . . A 33 TYR HB3 . 34108 1 442 . 1 1 33 33 TYR HD1 H 1 6.681 0.020 . 1 . . . A 33 TYR HD1 . 34108 1 443 . 1 1 33 33 TYR HD2 H 1 6.681 0.020 . 1 . . . A 33 TYR HD2 . 34108 1 444 . 1 1 33 33 TYR HE1 H 1 6.647 0.020 . 1 . . . A 33 TYR HE1 . 34108 1 445 . 1 1 33 33 TYR HE2 H 1 6.647 0.020 . 1 . . . A 33 TYR HE2 . 34108 1 446 . 1 1 33 33 TYR C C 13 176.358 0.400 . 1 . . . A 33 TYR C . 34108 1 447 . 1 1 33 33 TYR CA C 13 61.921 0.400 . 1 . . . A 33 TYR CA . 34108 1 448 . 1 1 33 33 TYR CB C 13 38.448 0.400 . 1 . . . A 33 TYR CB . 34108 1 449 . 1 1 33 33 TYR CD1 C 13 132.335 0.400 . 3 . . . A 33 TYR CD1 . 34108 1 450 . 1 1 33 33 TYR CE1 C 13 117.849 0.400 . 3 . . . A 33 TYR CE1 . 34108 1 451 . 1 1 33 33 TYR N N 15 120.161 0.400 . 1 . . . A 33 TYR N . 34108 1 452 . 1 1 34 34 PHE H H 1 8.376 0.020 . 1 . . . A 34 PHE H . 34108 1 453 . 1 1 34 34 PHE HA H 1 3.942 0.020 . 1 . . . A 34 PHE HA . 34108 1 454 . 1 1 34 34 PHE HB2 H 1 3.050 0.020 . 2 . . . A 34 PHE HB2 . 34108 1 455 . 1 1 34 34 PHE HB3 H 1 2.884 0.020 . 2 . . . A 34 PHE HB3 . 34108 1 456 . 1 1 34 34 PHE HD1 H 1 7.096 0.020 . 1 . . . A 34 PHE HD1 . 34108 1 457 . 1 1 34 34 PHE HD2 H 1 7.096 0.020 . 1 . . . A 34 PHE HD2 . 34108 1 458 . 1 1 34 34 PHE HE1 H 1 7.260 0.020 . 1 . . . A 34 PHE HE1 . 34108 1 459 . 1 1 34 34 PHE HE2 H 1 7.260 0.020 . 1 . . . A 34 PHE HE2 . 34108 1 460 . 1 1 34 34 PHE C C 13 177.415 0.400 . 1 . . . A 34 PHE C . 34108 1 461 . 1 1 34 34 PHE CA C 13 61.438 0.400 . 1 . . . A 34 PHE CA . 34108 1 462 . 1 1 34 34 PHE CB C 13 38.287 0.400 . 1 . . . A 34 PHE CB . 34108 1 463 . 1 1 34 34 PHE CD1 C 13 131.642 0.400 . 3 . . . A 34 PHE CD1 . 34108 1 464 . 1 1 34 34 PHE CE1 C 13 131.533 0.400 . 3 . . . A 34 PHE CE1 . 34108 1 465 . 1 1 34 34 PHE N N 15 117.447 0.400 . 1 . . . A 34 PHE N . 34108 1 466 . 1 1 35 35 HIS H H 1 8.079 0.020 . 1 . . . A 35 HIS H . 34108 1 467 . 1 1 35 35 HIS HA H 1 4.282 0.020 . 1 . . . A 35 HIS HA . 34108 1 468 . 1 1 35 35 HIS HB2 H 1 3.304 0.020 . 2 . . . A 35 HIS HB2 . 34108 1 469 . 1 1 35 35 HIS HB3 H 1 3.350 0.020 . 2 . . . A 35 HIS HB3 . 34108 1 470 . 1 1 35 35 HIS HD2 H 1 7.143 0.020 . 1 . . . A 35 HIS HD2 . 34108 1 471 . 1 1 35 35 HIS HE1 H 1 8.402 0.020 . 1 . . . A 35 HIS HE1 . 34108 1 472 . 1 1 35 35 HIS C C 13 176.684 0.400 . 1 . . . A 35 HIS C . 34108 1 473 . 1 1 35 35 HIS CA C 13 58.773 0.400 . 1 . . . A 35 HIS CA . 34108 1 474 . 1 1 35 35 HIS CB C 13 28.266 0.400 . 1 . . . A 35 HIS CB . 34108 1 475 . 1 1 35 35 HIS CD2 C 13 119.278 0.400 . 1 . . . A 35 HIS CD2 . 34108 1 476 . 1 1 35 35 HIS CE1 C 13 138.045 0.400 . 1 . . . A 35 HIS CE1 . 34108 1 477 . 1 1 35 35 HIS N N 15 116.966 0.400 . 1 . . . A 35 HIS N . 34108 1 478 . 1 1 36 36 LEU H H 1 8.182 0.020 . 1 . . . A 36 LEU H . 34108 1 479 . 1 1 36 36 LEU HA H 1 3.940 0.020 . 1 . . . A 36 LEU HA . 34108 1 480 . 1 1 36 36 LEU HB2 H 1 1.637 0.020 . 2 . . . A 36 LEU HB2 . 34108 1 481 . 1 1 36 36 LEU HB3 H 1 1.426 0.020 . 2 . . . A 36 LEU HB3 . 34108 1 482 . 1 1 36 36 LEU HG H 1 1.568 0.020 . 1 . . . A 36 LEU HG . 34108 1 483 . 1 1 36 36 LEU HD11 H 1 0.791 0.020 . 2 . . . A 36 LEU HD11 . 34108 1 484 . 1 1 36 36 LEU HD12 H 1 0.791 0.020 . 2 . . . A 36 LEU HD12 . 34108 1 485 . 1 1 36 36 LEU HD13 H 1 0.791 0.020 . 2 . . . A 36 LEU HD13 . 34108 1 486 . 1 1 36 36 LEU HD21 H 1 0.791 0.020 . 2 . . . A 36 LEU HD21 . 34108 1 487 . 1 1 36 36 LEU HD22 H 1 0.791 0.020 . 2 . . . A 36 LEU HD22 . 34108 1 488 . 1 1 36 36 LEU HD23 H 1 0.791 0.020 . 2 . . . A 36 LEU HD23 . 34108 1 489 . 1 1 36 36 LEU C C 13 178.255 0.400 . 1 . . . A 36 LEU C . 34108 1 490 . 1 1 36 36 LEU CA C 13 57.373 0.400 . 1 . . . A 36 LEU CA . 34108 1 491 . 1 1 36 36 LEU CB C 13 41.237 0.400 . 1 . . . A 36 LEU CB . 34108 1 492 . 1 1 36 36 LEU CG C 13 26.534 0.400 . 1 . . . A 36 LEU CG . 34108 1 493 . 1 1 36 36 LEU CD1 C 13 24.989 0.400 . 2 . . . A 36 LEU CD1 . 34108 1 494 . 1 1 36 36 LEU CD2 C 13 23.395 0.400 . 2 . . . A 36 LEU CD2 . 34108 1 495 . 1 1 36 36 LEU N N 15 119.654 0.400 . 1 . . . A 36 LEU N . 34108 1 496 . 1 1 37 37 MET H H 1 8.012 0.020 . 1 . . . A 37 MET H . 34108 1 497 . 1 1 37 37 MET HA H 1 4.129 0.020 . 1 . . . A 37 MET HA . 34108 1 498 . 1 1 37 37 MET HB2 H 1 1.884 0.020 . 2 . . . A 37 MET HB2 . 34108 1 499 . 1 1 37 37 MET HB3 H 1 1.948 0.020 . 2 . . . A 37 MET HB3 . 34108 1 500 . 1 1 37 37 MET HG2 H 1 2.299 0.020 . 2 . . . A 37 MET HG2 . 34108 1 501 . 1 1 37 37 MET HG3 H 1 2.117 0.020 . 2 . . . A 37 MET HG3 . 34108 1 502 . 1 1 37 37 MET HE1 H 1 1.922 0.020 . 1 . . . A 37 MET HE1 . 34108 1 503 . 1 1 37 37 MET HE2 H 1 1.922 0.020 . 1 . . . A 37 MET HE2 . 34108 1 504 . 1 1 37 37 MET HE3 H 1 1.922 0.020 . 1 . . . A 37 MET HE3 . 34108 1 505 . 1 1 37 37 MET C C 13 178.610 0.400 . 1 . . . A 37 MET C . 34108 1 506 . 1 1 37 37 MET CA C 13 57.149 0.400 . 1 . . . A 37 MET CA . 34108 1 507 . 1 1 37 37 MET CB C 13 32.055 0.400 . 1 . . . A 37 MET CB . 34108 1 508 . 1 1 37 37 MET CG C 13 32.063 0.400 . 1 . . . A 37 MET CG . 34108 1 509 . 1 1 37 37 MET CE C 13 17.076 0.400 . 1 . . . A 37 MET CE . 34108 1 510 . 1 1 37 37 MET N N 15 117.262 0.400 . 1 . . . A 37 MET N . 34108 1 511 . 1 1 38 38 LEU H H 1 7.717 0.020 . 1 . . . A 38 LEU H . 34108 1 512 . 1 1 38 38 LEU HA H 1 4.107 0.020 . 1 . . . A 38 LEU HA . 34108 1 513 . 1 1 38 38 LEU HB2 H 1 1.699 0.020 . 2 . . . A 38 LEU HB2 . 34108 1 514 . 1 1 38 38 LEU HB3 H 1 1.531 0.020 . 2 . . . A 38 LEU HB3 . 34108 1 515 . 1 1 38 38 LEU HG H 1 1.526 0.020 . 1 . . . A 38 LEU HG . 34108 1 516 . 1 1 38 38 LEU HD11 H 1 0.818 0.020 . 2 . . . A 38 LEU HD11 . 34108 1 517 . 1 1 38 38 LEU HD12 H 1 0.818 0.020 . 2 . . . A 38 LEU HD12 . 34108 1 518 . 1 1 38 38 LEU HD13 H 1 0.818 0.020 . 2 . . . A 38 LEU HD13 . 34108 1 519 . 1 1 38 38 LEU HD21 H 1 0.833 0.020 . 2 . . . A 38 LEU HD21 . 34108 1 520 . 1 1 38 38 LEU HD22 H 1 0.833 0.020 . 2 . . . A 38 LEU HD22 . 34108 1 521 . 1 1 38 38 LEU HD23 H 1 0.833 0.020 . 2 . . . A 38 LEU HD23 . 34108 1 522 . 1 1 38 38 LEU C C 13 179.577 0.400 . 1 . . . A 38 LEU C . 34108 1 523 . 1 1 38 38 LEU CA C 13 57.195 0.400 . 1 . . . A 38 LEU CA . 34108 1 524 . 1 1 38 38 LEU CB C 13 41.482 0.400 . 1 . . . A 38 LEU CB . 34108 1 525 . 1 1 38 38 LEU CG C 13 26.459 0.400 . 1 . . . A 38 LEU CG . 34108 1 526 . 1 1 38 38 LEU CD1 C 13 23.457 0.400 . 2 . . . A 38 LEU CD1 . 34108 1 527 . 1 1 38 38 LEU CD2 C 13 24.723 0.400 . 2 . . . A 38 LEU CD2 . 34108 1 528 . 1 1 38 38 LEU N N 15 120.777 0.400 . 1 . . . A 38 LEU N . 34108 1 529 . 1 1 39 39 LEU H H 1 7.847 0.020 . 1 . . . A 39 LEU H . 34108 1 530 . 1 1 39 39 LEU HA H 1 4.121 0.020 . 1 . . . A 39 LEU HA . 34108 1 531 . 1 1 39 39 LEU HB2 H 1 1.809 0.020 . 2 . . . A 39 LEU HB2 . 34108 1 532 . 1 1 39 39 LEU HB3 H 1 1.615 0.020 . 2 . . . A 39 LEU HB3 . 34108 1 533 . 1 1 39 39 LEU HG H 1 1.655 0.020 . 1 . . . A 39 LEU HG . 34108 1 534 . 1 1 39 39 LEU HD11 H 1 0.864 0.020 . 2 . . . A 39 LEU HD11 . 34108 1 535 . 1 1 39 39 LEU HD12 H 1 0.864 0.020 . 2 . . . A 39 LEU HD12 . 34108 1 536 . 1 1 39 39 LEU HD13 H 1 0.864 0.020 . 2 . . . A 39 LEU HD13 . 34108 1 537 . 1 1 39 39 LEU HD21 H 1 0.864 0.020 . 2 . . . A 39 LEU HD21 . 34108 1 538 . 1 1 39 39 LEU HD22 H 1 0.864 0.020 . 2 . . . A 39 LEU HD22 . 34108 1 539 . 1 1 39 39 LEU HD23 H 1 0.864 0.020 . 2 . . . A 39 LEU HD23 . 34108 1 540 . 1 1 39 39 LEU C C 13 178.119 0.400 . 1 . . . A 39 LEU C . 34108 1 541 . 1 1 39 39 LEU CA C 13 56.759 0.400 . 1 . . . A 39 LEU CA . 34108 1 542 . 1 1 39 39 LEU CB C 13 41.634 0.400 . 1 . . . A 39 LEU CB . 34108 1 543 . 1 1 39 39 LEU CG C 13 26.691 0.400 . 1 . . . A 39 LEU CG . 34108 1 544 . 1 1 39 39 LEU CD1 C 13 24.694 0.400 . 2 . . . A 39 LEU CD1 . 34108 1 545 . 1 1 39 39 LEU CD2 C 13 23.431 0.400 . 2 . . . A 39 LEU CD2 . 34108 1 546 . 1 1 39 39 LEU N N 15 120.140 0.400 . 1 . . . A 39 LEU N . 34108 1 547 . 1 1 40 40 ALA H H 1 8.104 0.020 . 1 . . . A 40 ALA H . 34108 1 548 . 1 1 40 40 ALA HA H 1 4.126 0.020 . 1 . . . A 40 ALA HA . 34108 1 549 . 1 1 40 40 ALA HB1 H 1 1.479 0.020 . 1 . . . A 40 ALA HB1 . 34108 1 550 . 1 1 40 40 ALA HB2 H 1 1.479 0.020 . 1 . . . A 40 ALA HB2 . 34108 1 551 . 1 1 40 40 ALA HB3 H 1 1.479 0.020 . 1 . . . A 40 ALA HB3 . 34108 1 552 . 1 1 40 40 ALA C C 13 178.488 0.400 . 1 . . . A 40 ALA C . 34108 1 553 . 1 1 40 40 ALA CA C 13 53.600 0.400 . 1 . . . A 40 ALA CA . 34108 1 554 . 1 1 40 40 ALA CB C 13 18.428 0.400 . 1 . . . A 40 ALA CB . 34108 1 555 . 1 1 40 40 ALA N N 15 120.062 0.400 . 1 . . . A 40 ALA N . 34108 1 556 . 1 1 41 41 GLY H H 1 7.975 0.020 . 1 . . . A 41 GLY H . 34108 1 557 . 1 1 41 41 GLY HA2 H 1 3.986 0.020 . 2 . . . A 41 GLY HA2 . 34108 1 558 . 1 1 41 41 GLY C C 13 175.068 0.400 . 1 . . . A 41 GLY C . 34108 1 559 . 1 1 41 41 GLY CA C 13 45.873 0.400 . 1 . . . A 41 GLY CA . 34108 1 560 . 1 1 41 41 GLY N N 15 104.964 0.400 . 1 . . . A 41 GLY N . 34108 1 561 . 1 1 42 42 CYS H H 1 7.953 0.020 . 1 . . . A 42 CYS H . 34108 1 562 . 1 1 42 42 CYS HA H 1 4.419 0.020 . 1 . . . A 42 CYS HA . 34108 1 563 . 1 1 42 42 CYS HB2 H 1 3.008 0.020 . 2 . . . A 42 CYS HB2 . 34108 1 564 . 1 1 42 42 CYS HB3 H 1 3.008 0.020 . 2 . . . A 42 CYS HB3 . 34108 1 565 . 1 1 42 42 CYS C C 13 175.610 0.400 . 1 . . . A 42 CYS C . 34108 1 566 . 1 1 42 42 CYS CA C 13 59.892 0.400 . 1 . . . A 42 CYS CA . 34108 1 567 . 1 1 42 42 CYS CB C 13 27.625 0.400 . 1 . . . A 42 CYS CB . 34108 1 568 . 1 1 42 42 CYS N N 15 117.721 0.400 . 1 . . . A 42 CYS N . 34108 1 569 . 1 1 43 43 ILE H H 1 7.722 0.020 . 1 . . . A 43 ILE H . 34108 1 570 . 1 1 43 43 ILE HA H 1 4.094 0.020 . 1 . . . A 43 ILE HA . 34108 1 571 . 1 1 43 43 ILE HB H 1 1.874 0.020 . 1 . . . A 43 ILE HB . 34108 1 572 . 1 1 43 43 ILE HG12 H 1 1.515 0.020 . 2 . . . A 43 ILE HG12 . 34108 1 573 . 1 1 43 43 ILE HG13 H 1 1.156 0.020 . 2 . . . A 43 ILE HG13 . 34108 1 574 . 1 1 43 43 ILE HG21 H 1 0.849 0.020 . 1 . . . A 43 ILE HG21 . 34108 1 575 . 1 1 43 43 ILE HG22 H 1 0.849 0.020 . 1 . . . A 43 ILE HG22 . 34108 1 576 . 1 1 43 43 ILE HG23 H 1 0.849 0.020 . 1 . . . A 43 ILE HG23 . 34108 1 577 . 1 1 43 43 ILE HD11 H 1 0.819 0.020 . 1 . . . A 43 ILE HD11 . 34108 1 578 . 1 1 43 43 ILE HD12 H 1 0.819 0.020 . 1 . . . A 43 ILE HD12 . 34108 1 579 . 1 1 43 43 ILE HD13 H 1 0.819 0.020 . 1 . . . A 43 ILE HD13 . 34108 1 580 . 1 1 43 43 ILE C C 13 176.125 0.400 . 1 . . . A 43 ILE C . 34108 1 581 . 1 1 43 43 ILE CA C 13 61.458 0.400 . 1 . . . A 43 ILE CA . 34108 1 582 . 1 1 43 43 ILE CB C 13 38.291 0.400 . 1 . . . A 43 ILE CB . 34108 1 583 . 1 1 43 43 ILE CG1 C 13 27.282 0.400 . 1 . . . A 43 ILE CG1 . 34108 1 584 . 1 1 43 43 ILE CG2 C 13 17.268 0.400 . 1 . . . A 43 ILE CG2 . 34108 1 585 . 1 1 43 43 ILE CD1 C 13 12.882 0.400 . 1 . . . A 43 ILE CD1 . 34108 1 586 . 1 1 43 43 ILE N N 15 119.501 0.400 . 1 . . . A 43 ILE N . 34108 1 587 . 1 1 44 44 LYS H H 1 8.078 0.020 . 1 . . . A 44 LYS H . 34108 1 588 . 1 1 44 44 LYS HA H 1 4.248 0.020 . 1 . . . A 44 LYS HA . 34108 1 589 . 1 1 44 44 LYS HB2 H 1 1.692 0.020 . 2 . . . A 44 LYS HB2 . 34108 1 590 . 1 1 44 44 LYS HB3 H 1 1.692 0.020 . 2 . . . A 44 LYS HB3 . 34108 1 591 . 1 1 44 44 LYS HG2 H 1 1.327 0.020 . 2 . . . A 44 LYS HG2 . 34108 1 592 . 1 1 44 44 LYS HG3 H 1 1.327 0.020 . 2 . . . A 44 LYS HG3 . 34108 1 593 . 1 1 44 44 LYS HD2 H 1 1.617 0.020 . 2 . . . A 44 LYS HD2 . 34108 1 594 . 1 1 44 44 LYS HD3 H 1 1.617 0.020 . 2 . . . A 44 LYS HD3 . 34108 1 595 . 1 1 44 44 LYS HE2 H 1 2.955 0.020 . 2 . . . A 44 LYS HE2 . 34108 1 596 . 1 1 44 44 LYS HE3 H 1 2.955 0.020 . 2 . . . A 44 LYS HE3 . 34108 1 597 . 1 1 44 44 LYS C C 13 176.865 0.400 . 1 . . . A 44 LYS C . 34108 1 598 . 1 1 44 44 LYS CA C 13 56.353 0.400 . 1 . . . A 44 LYS CA . 34108 1 599 . 1 1 44 44 LYS CB C 13 32.748 0.400 . 1 . . . A 44 LYS CB . 34108 1 600 . 1 1 44 44 LYS CG C 13 24.423 0.400 . 1 . . . A 44 LYS CG . 34108 1 601 . 1 1 44 44 LYS CD C 13 28.776 0.400 . 1 . . . A 44 LYS CD . 34108 1 602 . 1 1 44 44 LYS CE C 13 41.883 0.400 . 1 . . . A 44 LYS CE . 34108 1 603 . 1 1 44 44 LYS N N 15 122.670 0.400 . 1 . . . A 44 LYS N . 34108 1 604 . 1 1 45 45 TYR H H 1 7.998 0.020 . 1 . . . A 45 TYR H . 34108 1 605 . 1 1 45 45 TYR HA H 1 4.595 0.020 . 1 . . . A 45 TYR HA . 34108 1 606 . 1 1 45 45 TYR HB2 H 1 3.114 0.020 . 2 . . . A 45 TYR HB2 . 34108 1 607 . 1 1 45 45 TYR HB3 H 1 2.948 0.020 . 2 . . . A 45 TYR HB3 . 34108 1 608 . 1 1 45 45 TYR HD1 H 1 7.158 0.020 . 1 . . . A 45 TYR HD1 . 34108 1 609 . 1 1 45 45 TYR HD2 H 1 7.158 0.020 . 1 . . . A 45 TYR HD2 . 34108 1 610 . 1 1 45 45 TYR HE1 H 1 6.845 0.020 . 1 . . . A 45 TYR HE1 . 34108 1 611 . 1 1 45 45 TYR HE2 H 1 6.845 0.020 . 1 . . . A 45 TYR HE2 . 34108 1 612 . 1 1 45 45 TYR C C 13 176.257 0.400 . 1 . . . A 45 TYR C . 34108 1 613 . 1 1 45 45 TYR CA C 13 57.819 0.400 . 1 . . . A 45 TYR CA . 34108 1 614 . 1 1 45 45 TYR CB C 13 38.699 0.400 . 1 . . . A 45 TYR CB . 34108 1 615 . 1 1 45 45 TYR CD1 C 13 132.974 0.400 . 3 . . . A 45 TYR CD1 . 34108 1 616 . 1 1 45 45 TYR CE1 C 13 118.018 0.400 . 3 . . . A 45 TYR CE1 . 34108 1 617 . 1 1 45 45 TYR N N 15 119.675 0.400 . 1 . . . A 45 TYR N . 34108 1 618 . 1 1 46 46 GLY H H 1 8.174 0.020 . 1 . . . A 46 GLY H . 34108 1 619 . 1 1 46 46 GLY HA2 H 1 3.951 0.020 . 2 . . . A 46 GLY HA2 . 34108 1 620 . 1 1 46 46 GLY C C 13 173.419 0.400 . 1 . . . A 46 GLY C . 34108 1 621 . 1 1 46 46 GLY CA C 13 45.192 0.400 . 1 . . . A 46 GLY CA . 34108 1 622 . 1 1 46 46 GLY N N 15 110.003 0.400 . 1 . . . A 46 GLY N . 34108 1 623 . 1 1 47 47 ARG H H 1 8.071 0.020 . 1 . . . A 47 ARG H . 34108 1 624 . 1 1 47 47 ARG HA H 1 4.412 0.020 . 1 . . . A 47 ARG HA . 34108 1 625 . 1 1 47 47 ARG HB2 H 1 1.961 0.020 . 2 . . . A 47 ARG HB2 . 34108 1 626 . 1 1 47 47 ARG HB3 H 1 1.783 0.020 . 2 . . . A 47 ARG HB3 . 34108 1 627 . 1 1 47 47 ARG HG2 H 1 1.623 0.020 . 2 . . . A 47 ARG HG2 . 34108 1 628 . 1 1 47 47 ARG HG3 H 1 1.623 0.020 . 2 . . . A 47 ARG HG3 . 34108 1 629 . 1 1 47 47 ARG HD2 H 1 3.209 0.020 . 2 . . . A 47 ARG HD2 . 34108 1 630 . 1 1 47 47 ARG HD3 H 1 3.209 0.020 . 2 . . . A 47 ARG HD3 . 34108 1 631 . 1 1 47 47 ARG C C 13 175.906 0.400 . 1 . . . A 47 ARG C . 34108 1 632 . 1 1 47 47 ARG CA C 13 55.624 0.400 . 1 . . . A 47 ARG CA . 34108 1 633 . 1 1 47 47 ARG CB C 13 30.691 0.400 . 1 . . . A 47 ARG CB . 34108 1 634 . 1 1 47 47 ARG CG C 13 26.808 0.400 . 1 . . . A 47 ARG CG . 34108 1 635 . 1 1 47 47 ARG CD C 13 43.156 0.400 . 1 . . . A 47 ARG CD . 34108 1 636 . 1 1 47 47 ARG N N 15 120.033 0.400 . 1 . . . A 47 ARG N . 34108 1 637 . 1 1 48 48 GLY H H 1 7.999 0.020 . 1 . . . A 48 GLY H . 34108 1 638 . 1 1 48 48 GLY HA2 H 1 3.789 0.020 . 2 . . . A 48 GLY HA2 . 34108 1 639 . 1 1 48 48 GLY C C 13 176.133 0.400 . 1 . . . A 48 GLY C . 34108 1 640 . 1 1 48 48 GLY CA C 13 45.796 0.400 . 1 . . . A 48 GLY CA . 34108 1 641 . 1 1 48 48 GLY N N 15 115.735 0.400 . 1 . . . A 48 GLY N . 34108 1 stop_ save_ save_assigned_chemical_shifts_2 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2 _Assigned_chem_shift_list.Entry_ID 34108 _Assigned_chem_shift_list.ID 2 _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 'chemical shifts in DMPC/DHPC q=0.4 bicelles' _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' . . . 34108 2 2 '3D HNCA' . . . 34108 2 3 '3D HNCO' . . . 34108 2 4 '3D HN(CO)CA' . . . 34108 2 5 '3D HCCH-TOCSY' . . . 34108 2 6 '3D 1H-13C NOESY' . . . 34108 2 7 '3D 1H-15N NOESY' . . . 34108 2 8 '3D HCCH-COSY' . . . 34108 2 9 '3D HN(CO)CA' . . . 34108 2 10 '3D HNCA' . . . 34108 2 11 '3D HN(CO)CA' . . . 34108 2 12 '3D HNCA' . . . 34108 2 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.428 0.020 . 1 . . . A 1 MET H1 . 34108 2 2 . 1 1 1 1 MET HA H 1 4.474 0.020 . 1 . . . A 1 MET HA . 34108 2 3 . 1 1 1 1 MET HB2 H 1 2.035 0.020 . 2 . . . A 1 MET HB2 . 34108 2 4 . 1 1 1 1 MET HB3 H 1 1.971 0.020 . 2 . . . A 1 MET HB3 . 34108 2 5 . 1 1 1 1 MET HG2 H 1 2.530 0.020 . 2 . . . A 1 MET HG2 . 34108 2 6 . 1 1 1 1 MET HG3 H 1 2.492 0.020 . 2 . . . A 1 MET HG3 . 34108 2 7 . 1 1 1 1 MET HE1 H 1 2.108 0.020 . 1 . . . A 1 MET HE1 . 34108 2 8 . 1 1 1 1 MET HE2 H 1 2.108 0.020 . 1 . . . A 1 MET HE2 . 34108 2 9 . 1 1 1 1 MET HE3 H 1 2.108 0.020 . 1 . . . A 1 MET HE3 . 34108 2 10 . 1 1 1 1 MET C C 13 174.944 0.400 . 1 . . . A 1 MET C . 34108 2 11 . 1 1 1 1 MET CA C 13 53.930 0.400 . 1 . . . A 1 MET CA . 34108 2 12 . 1 1 1 1 MET CB C 13 33.262 0.400 . 1 . . . A 1 MET CB . 34108 2 13 . 1 1 1 1 MET CG C 13 31.784 0.400 . 1 . . . A 1 MET CG . 34108 2 14 . 1 1 1 1 MET CE C 13 16.752 0.400 . 1 . . . A 1 MET CE . 34108 2 15 . 1 1 1 1 MET N N 15 127.945 0.400 . 1 . . . A 1 MET N . 34108 2 16 . 1 1 2 2 ASN H H 1 8.567 0.020 . 1 . . . A 2 ASN H . 34108 2 17 . 1 1 2 2 ASN HA H 1 4.523 0.020 . 1 . . . A 2 ASN HA . 34108 2 18 . 1 1 2 2 ASN HB2 H 1 2.857 0.020 . 2 . . . A 2 ASN HB2 . 34108 2 19 . 1 1 2 2 ASN HB3 H 1 2.796 0.020 . 2 . . . A 2 ASN HB3 . 34108 2 20 . 1 1 2 2 ASN C C 13 174.920 0.400 . 1 . . . A 2 ASN C . 34108 2 21 . 1 1 2 2 ASN CA C 13 52.841 0.400 . 1 . . . A 2 ASN CA . 34108 2 22 . 1 1 2 2 ASN CB C 13 38.279 0.400 . 1 . . . A 2 ASN CB . 34108 2 23 . 1 1 2 2 ASN N N 15 120.114 0.400 . 1 . . . A 2 ASN N . 34108 2 24 . 1 1 3 3 ILE H H 1 8.209 0.020 . 1 . . . A 3 ILE H . 34108 2 25 . 1 1 3 3 ILE HA H 1 4.767 0.020 . 1 . . . A 3 ILE HA . 34108 2 26 . 1 1 3 3 ILE HB H 1 1.972 0.020 . 1 . . . A 3 ILE HB . 34108 2 27 . 1 1 3 3 ILE HG12 H 1 1.506 0.020 . 2 . . . A 3 ILE HG12 . 34108 2 28 . 1 1 3 3 ILE HG13 H 1 1.211 0.020 . 2 . . . A 3 ILE HG13 . 34108 2 29 . 1 1 3 3 ILE HG21 H 1 0.965 0.020 . 1 . . . A 3 ILE HG21 . 34108 2 30 . 1 1 3 3 ILE HG22 H 1 0.965 0.020 . 1 . . . A 3 ILE HG22 . 34108 2 31 . 1 1 3 3 ILE HG23 H 1 0.965 0.020 . 1 . . . A 3 ILE HG23 . 34108 2 32 . 1 1 3 3 ILE HD11 H 1 0.905 0.020 . 1 . . . A 3 ILE HD11 . 34108 2 33 . 1 1 3 3 ILE HD12 H 1 0.905 0.020 . 1 . . . A 3 ILE HD12 . 34108 2 34 . 1 1 3 3 ILE HD13 H 1 0.905 0.020 . 1 . . . A 3 ILE HD13 . 34108 2 35 . 1 1 3 3 ILE C C 13 175.999 0.400 . 1 . . . A 3 ILE C . 34108 2 36 . 1 1 3 3 ILE CA C 13 61.523 0.400 . 1 . . . A 3 ILE CA . 34108 2 37 . 1 1 3 3 ILE CB C 13 38.260 0.400 . 1 . . . A 3 ILE CB . 34108 2 38 . 1 1 3 3 ILE CG1 C 13 27.479 0.400 . 1 . . . A 3 ILE CG1 . 34108 2 39 . 1 1 3 3 ILE CG2 C 13 17.587 0.400 . 1 . . . A 3 ILE CG2 . 34108 2 40 . 1 1 3 3 ILE CD1 C 13 12.913 0.400 . 1 . . . A 3 ILE CD1 . 34108 2 41 . 1 1 3 3 ILE N N 15 120.781 0.400 . 1 . . . A 3 ILE N . 34108 2 42 . 1 1 4 4 THR H H 1 8.031 0.020 . 1 . . . A 4 THR H . 34108 2 43 . 1 1 4 4 THR HA H 1 4.243 0.020 . 1 . . . A 4 THR HA . 34108 2 44 . 1 1 4 4 THR HB H 1 4.326 0.020 . 1 . . . A 4 THR HB . 34108 2 45 . 1 1 4 4 THR HG21 H 1 1.278 0.020 . 1 . . . A 4 THR HG21 . 34108 2 46 . 1 1 4 4 THR HG22 H 1 1.278 0.020 . 1 . . . A 4 THR HG22 . 34108 2 47 . 1 1 4 4 THR HG23 H 1 1.278 0.020 . 1 . . . A 4 THR HG23 . 34108 2 48 . 1 1 4 4 THR C C 13 175.048 0.400 . 1 . . . A 4 THR C . 34108 2 49 . 1 1 4 4 THR CA C 13 62.376 0.400 . 1 . . . A 4 THR CA . 34108 2 50 . 1 1 4 4 THR CB C 13 69.082 0.400 . 1 . . . A 4 THR CB . 34108 2 51 . 1 1 4 4 THR CG2 C 13 21.628 0.400 . 1 . . . A 4 THR CG2 . 34108 2 52 . 1 1 4 4 THR N N 15 115.171 0.400 . 1 . . . A 4 THR N . 34108 2 53 . 1 1 5 5 SER H H 1 8.203 0.020 . 1 . . . A 5 SER H . 34108 2 54 . 1 1 5 5 SER HA H 1 4.360 0.020 . 1 . . . A 5 SER HA . 34108 2 55 . 1 1 5 5 SER HB2 H 1 3.963 0.020 . 2 . . . A 5 SER HB2 . 34108 2 56 . 1 1 5 5 SER HB3 H 1 3.900 0.020 . 2 . . . A 5 SER HB3 . 34108 2 57 . 1 1 5 5 SER C C 13 175.087 0.400 . 1 . . . A 5 SER C . 34108 2 58 . 1 1 5 5 SER CA C 13 59.309 0.400 . 1 . . . A 5 SER CA . 34108 2 59 . 1 1 5 5 SER CB C 13 63.287 0.400 . 1 . . . A 5 SER CB . 34108 2 60 . 1 1 5 5 SER N N 15 116.869 0.400 . 1 . . . A 5 SER N . 34108 2 61 . 1 1 6 6 GLN H H 1 8.324 0.020 . 1 . . . A 6 GLN H . 34108 2 62 . 1 1 6 6 GLN HA H 1 4.369 0.020 . 1 . . . A 6 GLN HA . 34108 2 63 . 1 1 6 6 GLN HB2 H 1 2.113 0.020 . 2 . . . A 6 GLN HB2 . 34108 2 64 . 1 1 6 6 GLN HB3 H 1 1.986 0.020 . 2 . . . A 6 GLN HB3 . 34108 2 65 . 1 1 6 6 GLN HG2 H 1 2.410 0.020 . 2 . . . A 6 GLN HG2 . 34108 2 66 . 1 1 6 6 GLN HG3 H 1 2.410 0.020 . 2 . . . A 6 GLN HG3 . 34108 2 67 . 1 1 6 6 GLN C C 13 176.932 0.400 . 1 . . . A 6 GLN C . 34108 2 68 . 1 1 6 6 GLN CA C 13 57.046 0.400 . 1 . . . A 6 GLN CA . 34108 2 69 . 1 1 6 6 GLN CB C 13 28.952 0.400 . 1 . . . A 6 GLN CB . 34108 2 70 . 1 1 6 6 GLN CG C 13 33.621 0.400 . 1 . . . A 6 GLN CG . 34108 2 71 . 1 1 6 6 GLN N N 15 121.025 0.400 . 1 . . . A 6 GLN N . 34108 2 72 . 1 1 7 7 MET H H 1 8.176 0.020 . 1 . . . A 7 MET H . 34108 2 73 . 1 1 7 7 MET HA H 1 4.319 0.020 . 1 . . . A 7 MET HA . 34108 2 74 . 1 1 7 7 MET HB2 H 1 1.959 0.020 . 2 . . . A 7 MET HB2 . 34108 2 75 . 1 1 7 7 MET HB3 H 1 2.091 0.020 . 2 . . . A 7 MET HB3 . 34108 2 76 . 1 1 7 7 MET HG2 H 1 2.552 0.020 . 2 . . . A 7 MET HG2 . 34108 2 77 . 1 1 7 7 MET HG3 H 1 2.512 0.020 . 2 . . . A 7 MET HG3 . 34108 2 78 . 1 1 7 7 MET HE1 H 1 2.105 0.020 . 1 . . . A 7 MET HE1 . 34108 2 79 . 1 1 7 7 MET HE2 H 1 2.105 0.020 . 1 . . . A 7 MET HE2 . 34108 2 80 . 1 1 7 7 MET HE3 H 1 2.105 0.020 . 1 . . . A 7 MET HE3 . 34108 2 81 . 1 1 7 7 MET C C 13 176.062 0.400 . 1 . . . A 7 MET C . 34108 2 82 . 1 1 7 7 MET CA C 13 56.729 0.400 . 1 . . . A 7 MET CA . 34108 2 83 . 1 1 7 7 MET CB C 13 32.824 0.400 . 1 . . . A 7 MET CB . 34108 2 84 . 1 1 7 7 MET CG C 13 32.032 0.400 . 1 . . . A 7 MET CG . 34108 2 85 . 1 1 7 7 MET CE C 13 16.952 0.400 . 1 . . . A 7 MET CE . 34108 2 86 . 1 1 7 7 MET N N 15 119.776 0.400 . 1 . . . A 7 MET N . 34108 2 87 . 1 1 8 8 ASN H H 1 8.106 0.020 . 1 . . . A 8 ASN H . 34108 2 88 . 1 1 8 8 ASN HA H 1 4.354 0.020 . 1 . . . A 8 ASN HA . 34108 2 89 . 1 1 8 8 ASN HB2 H 1 2.946 0.020 . 2 . . . A 8 ASN HB2 . 34108 2 90 . 1 1 8 8 ASN HB3 H 1 2.793 0.020 . 2 . . . A 8 ASN HB3 . 34108 2 91 . 1 1 8 8 ASN C C 13 176.192 0.400 . 1 . . . A 8 ASN C . 34108 2 92 . 1 1 8 8 ASN CA C 13 54.734 0.400 . 1 . . . A 8 ASN CA . 34108 2 93 . 1 1 8 8 ASN CB C 13 38.593 0.400 . 1 . . . A 8 ASN CB . 34108 2 94 . 1 1 8 8 ASN N N 15 118.981 0.400 . 1 . . . A 8 ASN N . 34108 2 95 . 1 1 9 9 LYS H H 1 8.381 0.020 . 1 . . . A 9 LYS H . 34108 2 96 . 1 1 9 9 LYS HA H 1 3.972 0.020 . 1 . . . A 9 LYS HA . 34108 2 97 . 1 1 9 9 LYS HB2 H 1 1.821 0.020 . 2 . . . A 9 LYS HB2 . 34108 2 98 . 1 1 9 9 LYS HB3 H 1 1.910 0.020 . 2 . . . A 9 LYS HB3 . 34108 2 99 . 1 1 9 9 LYS HG2 H 1 1.456 0.020 . 2 . . . A 9 LYS HG2 . 34108 2 100 . 1 1 9 9 LYS HG3 H 1 1.650 0.020 . 2 . . . A 9 LYS HG3 . 34108 2 101 . 1 1 9 9 LYS HD2 H 1 1.713 0.020 . 2 . . . A 9 LYS HD2 . 34108 2 102 . 1 1 9 9 LYS HD3 H 1 1.713 0.020 . 2 . . . A 9 LYS HD3 . 34108 2 103 . 1 1 9 9 LYS HE2 H 1 3.026 0.020 . 2 . . . A 9 LYS HE2 . 34108 2 104 . 1 1 9 9 LYS HE3 H 1 3.026 0.020 . 2 . . . A 9 LYS HE3 . 34108 2 105 . 1 1 9 9 LYS C C 13 177.787 0.400 . 1 . . . A 9 LYS C . 34108 2 106 . 1 1 9 9 LYS CA C 13 59.645 0.400 . 1 . . . A 9 LYS CA . 34108 2 107 . 1 1 9 9 LYS CB C 13 32.384 0.400 . 1 . . . A 9 LYS CB . 34108 2 108 . 1 1 9 9 LYS CG C 13 25.432 0.400 . 1 . . . A 9 LYS CG . 34108 2 109 . 1 1 9 9 LYS CD C 13 29.305 0.400 . 1 . . . A 9 LYS CD . 34108 2 110 . 1 1 9 9 LYS CE C 13 41.785 0.400 . 1 . . . A 9 LYS CE . 34108 2 111 . 1 1 9 9 LYS N N 15 119.950 0.400 . 1 . . . A 9 LYS N . 34108 2 112 . 1 1 10 10 THR H H 1 8.024 0.020 . 1 . . . A 10 THR H . 34108 2 113 . 1 1 10 10 THR HA H 1 3.995 0.020 . 1 . . . A 10 THR HA . 34108 2 114 . 1 1 10 10 THR HB H 1 4.336 0.020 . 1 . . . A 10 THR HB . 34108 2 115 . 1 1 10 10 THR HG1 H 1 4.587 0.020 . 1 . . . A 10 THR HG1 . 34108 2 116 . 1 1 10 10 THR HG21 H 1 1.221 0.020 . 1 . . . A 10 THR HG21 . 34108 2 117 . 1 1 10 10 THR HG22 H 1 1.221 0.020 . 1 . . . A 10 THR HG22 . 34108 2 118 . 1 1 10 10 THR HG23 H 1 1.221 0.020 . 1 . . . A 10 THR HG23 . 34108 2 119 . 1 1 10 10 THR C C 13 175.404 0.400 . 1 . . . A 10 THR C . 34108 2 120 . 1 1 10 10 THR CA C 13 66.415 0.400 . 1 . . . A 10 THR CA . 34108 2 121 . 1 1 10 10 THR CB C 13 67.982 0.400 . 1 . . . A 10 THR CB . 34108 2 122 . 1 1 10 10 THR CG2 C 13 21.711 0.400 . 1 . . . A 10 THR CG2 . 34108 2 123 . 1 1 10 10 THR N N 15 116.354 0.400 . 1 . . . A 10 THR N . 34108 2 124 . 1 1 11 11 ILE H H 1 8.221 0.020 . 1 . . . A 11 ILE H . 34108 2 125 . 1 1 11 11 ILE HA H 1 3.697 0.020 . 1 . . . A 11 ILE HA . 34108 2 126 . 1 1 11 11 ILE HB H 1 1.906 0.020 . 1 . . . A 11 ILE HB . 34108 2 127 . 1 1 11 11 ILE HG12 H 1 1.687 0.020 . 2 . . . A 11 ILE HG12 . 34108 2 128 . 1 1 11 11 ILE HG13 H 1 1.148 0.020 . 2 . . . A 11 ILE HG13 . 34108 2 129 . 1 1 11 11 ILE HG21 H 1 0.932 0.020 . 1 . . . A 11 ILE HG21 . 34108 2 130 . 1 1 11 11 ILE HG22 H 1 0.932 0.020 . 1 . . . A 11 ILE HG22 . 34108 2 131 . 1 1 11 11 ILE HG23 H 1 0.932 0.020 . 1 . . . A 11 ILE HG23 . 34108 2 132 . 1 1 11 11 ILE HD11 H 1 0.915 0.020 . 1 . . . A 11 ILE HD11 . 34108 2 133 . 1 1 11 11 ILE HD12 H 1 0.915 0.020 . 1 . . . A 11 ILE HD12 . 34108 2 134 . 1 1 11 11 ILE HD13 H 1 0.915 0.020 . 1 . . . A 11 ILE HD13 . 34108 2 135 . 1 1 11 11 ILE C C 13 178.353 0.400 . 1 . . . A 11 ILE C . 34108 2 136 . 1 1 11 11 ILE CA C 13 64.474 0.400 . 1 . . . A 11 ILE CA . 34108 2 137 . 1 1 11 11 ILE CB C 13 37.234 0.400 . 1 . . . A 11 ILE CB . 34108 2 138 . 1 1 11 11 ILE CG1 C 13 28.849 0.400 . 1 . . . A 11 ILE CG1 . 34108 2 139 . 1 1 11 11 ILE CG2 C 13 17.302 0.400 . 1 . . . A 11 ILE CG2 . 34108 2 140 . 1 1 11 11 ILE CD1 C 13 12.675 0.400 . 1 . . . A 11 ILE CD1 . 34108 2 141 . 1 1 11 11 ILE N N 15 120.734 0.400 . 1 . . . A 11 ILE N . 34108 2 142 . 1 1 12 12 ILE H H 1 8.253 0.020 . 1 . . . A 12 ILE H . 34108 2 143 . 1 1 12 12 ILE HA H 1 3.709 0.020 . 1 . . . A 12 ILE HA . 34108 2 144 . 1 1 12 12 ILE HB H 1 1.902 0.020 . 1 . . . A 12 ILE HB . 34108 2 145 . 1 1 12 12 ILE HG12 H 1 1.735 0.020 . 2 . . . A 12 ILE HG12 . 34108 2 146 . 1 1 12 12 ILE HG13 H 1 1.094 0.020 . 2 . . . A 12 ILE HG13 . 34108 2 147 . 1 1 12 12 ILE HG21 H 1 0.905 0.020 . 1 . . . A 12 ILE HG21 . 34108 2 148 . 1 1 12 12 ILE HG22 H 1 0.905 0.020 . 1 . . . A 12 ILE HG22 . 34108 2 149 . 1 1 12 12 ILE HG23 H 1 0.905 0.020 . 1 . . . A 12 ILE HG23 . 34108 2 150 . 1 1 12 12 ILE HD11 H 1 0.876 0.020 . 1 . . . A 12 ILE HD11 . 34108 2 151 . 1 1 12 12 ILE HD12 H 1 0.876 0.020 . 1 . . . A 12 ILE HD12 . 34108 2 152 . 1 1 12 12 ILE HD13 H 1 0.876 0.020 . 1 . . . A 12 ILE HD13 . 34108 2 153 . 1 1 12 12 ILE C C 13 177.282 0.400 . 1 . . . A 12 ILE C . 34108 2 154 . 1 1 12 12 ILE CA C 13 64.993 0.400 . 1 . . . A 12 ILE CA . 34108 2 155 . 1 1 12 12 ILE CB C 13 37.545 0.400 . 1 . . . A 12 ILE CB . 34108 2 156 . 1 1 12 12 ILE CG1 C 13 28.802 0.400 . 1 . . . A 12 ILE CG1 . 34108 2 157 . 1 1 12 12 ILE CG2 C 13 17.262 0.400 . 1 . . . A 12 ILE CG2 . 34108 2 158 . 1 1 12 12 ILE CD1 C 13 12.599 0.400 . 1 . . . A 12 ILE CD1 . 34108 2 159 . 1 1 12 12 ILE N N 15 121.829 0.400 . 1 . . . A 12 ILE N . 34108 2 160 . 1 1 13 13 GLY H H 1 8.522 0.020 . 1 . . . A 13 GLY H . 34108 2 161 . 1 1 13 13 GLY HA3 H 1 3.709 0.020 . 2 . . . A 13 GLY HA3 . 34108 2 162 . 1 1 13 13 GLY C C 13 174.737 0.400 . 1 . . . A 13 GLY C . 34108 2 163 . 1 1 13 13 GLY CA C 13 47.643 0.400 . 1 . . . A 13 GLY CA . 34108 2 164 . 1 1 13 13 GLY N N 15 107.470 0.400 . 1 . . . A 13 GLY N . 34108 2 165 . 1 1 14 14 VAL H H 1 8.719 0.020 . 1 . . . A 14 VAL H . 34108 2 166 . 1 1 14 14 VAL HA H 1 3.720 0.020 . 1 . . . A 14 VAL HA . 34108 2 167 . 1 1 14 14 VAL HB H 1 2.168 0.020 . 1 . . . A 14 VAL HB . 34108 2 168 . 1 1 14 14 VAL HG11 H 1 0.967 0.020 . 2 . . . A 14 VAL HG11 . 34108 2 169 . 1 1 14 14 VAL HG12 H 1 0.967 0.020 . 2 . . . A 14 VAL HG12 . 34108 2 170 . 1 1 14 14 VAL HG13 H 1 0.967 0.020 . 2 . . . A 14 VAL HG13 . 34108 2 171 . 1 1 14 14 VAL HG21 H 1 1.105 0.020 . 2 . . . A 14 VAL HG21 . 34108 2 172 . 1 1 14 14 VAL HG22 H 1 1.105 0.020 . 2 . . . A 14 VAL HG22 . 34108 2 173 . 1 1 14 14 VAL HG23 H 1 1.105 0.020 . 2 . . . A 14 VAL HG23 . 34108 2 174 . 1 1 14 14 VAL C C 13 178.434 0.400 . 1 . . . A 14 VAL C . 34108 2 175 . 1 1 14 14 VAL CA C 13 66.166 0.400 . 1 . . . A 14 VAL CA . 34108 2 176 . 1 1 14 14 VAL CB C 13 31.371 0.400 . 1 . . . A 14 VAL CB . 34108 2 177 . 1 1 14 14 VAL CG1 C 13 21.357 0.400 . 2 . . . A 14 VAL CG1 . 34108 2 178 . 1 1 14 14 VAL CG2 C 13 23.026 0.400 . 2 . . . A 14 VAL CG2 . 34108 2 179 . 1 1 14 14 VAL N N 15 119.151 0.400 . 1 . . . A 14 VAL N . 34108 2 180 . 1 1 15 15 SER H H 1 8.287 0.020 . 1 . . . A 15 SER H . 34108 2 181 . 1 1 15 15 SER HA H 1 4.098 0.020 . 1 . . . A 15 SER HA . 34108 2 182 . 1 1 15 15 SER HB2 H 1 3.720 0.020 . 2 . . . A 15 SER HB2 . 34108 2 183 . 1 1 15 15 SER C C 13 174.966 0.400 . 1 . . . A 15 SER C . 34108 2 184 . 1 1 15 15 SER CA C 13 63.399 0.400 . 1 . . . A 15 SER CA . 34108 2 185 . 1 1 15 15 SER CB C 13 62.533 0.400 . 1 . . . A 15 SER CB . 34108 2 186 . 1 1 15 15 SER N N 15 119.892 0.400 . 1 . . . A 15 SER N . 34108 2 187 . 1 1 16 16 VAL H H 1 8.421 0.020 . 1 . . . A 16 VAL H . 34108 2 188 . 1 1 16 16 VAL HA H 1 3.698 0.020 . 1 . . . A 16 VAL HA . 34108 2 189 . 1 1 16 16 VAL HB H 1 2.168 0.020 . 1 . . . A 16 VAL HB . 34108 2 190 . 1 1 16 16 VAL HG11 H 1 0.901 0.020 . 2 . . . A 16 VAL HG11 . 34108 2 191 . 1 1 16 16 VAL HG12 H 1 0.901 0.020 . 2 . . . A 16 VAL HG12 . 34108 2 192 . 1 1 16 16 VAL HG13 H 1 0.901 0.020 . 2 . . . A 16 VAL HG13 . 34108 2 193 . 1 1 16 16 VAL HG21 H 1 1.078 0.020 . 2 . . . A 16 VAL HG21 . 34108 2 194 . 1 1 16 16 VAL HG22 H 1 1.078 0.020 . 2 . . . A 16 VAL HG22 . 34108 2 195 . 1 1 16 16 VAL HG23 H 1 1.078 0.020 . 2 . . . A 16 VAL HG23 . 34108 2 196 . 1 1 16 16 VAL C C 13 177.128 0.400 . 1 . . . A 16 VAL C . 34108 2 197 . 1 1 16 16 VAL CA C 13 66.737 0.400 . 1 . . . A 16 VAL CA . 34108 2 198 . 1 1 16 16 VAL CB C 13 31.106 0.400 . 1 . . . A 16 VAL CB . 34108 2 199 . 1 1 16 16 VAL CG1 C 13 21.143 0.400 . 2 . . . A 16 VAL CG1 . 34108 2 200 . 1 1 16 16 VAL CG2 C 13 22.893 0.400 . 2 . . . A 16 VAL CG2 . 34108 2 201 . 1 1 16 16 VAL N N 15 121.186 0.400 . 1 . . . A 16 VAL N . 34108 2 202 . 1 1 17 17 LEU H H 1 8.234 0.020 . 1 . . . A 17 LEU H . 34108 2 203 . 1 1 17 17 LEU HA H 1 3.943 0.020 . 1 . . . A 17 LEU HA . 34108 2 204 . 1 1 17 17 LEU HB2 H 1 1.721 0.020 . 2 . . . A 17 LEU HB2 . 34108 2 205 . 1 1 17 17 LEU HB3 H 1 1.653 0.020 . 2 . . . A 17 LEU HB3 . 34108 2 206 . 1 1 17 17 LEU HG H 1 1.716 0.020 . 1 . . . A 17 LEU HG . 34108 2 207 . 1 1 17 17 LEU HD11 H 1 0.841 0.020 . 2 . . . A 17 LEU HD11 . 34108 2 208 . 1 1 17 17 LEU HD12 H 1 0.841 0.020 . 2 . . . A 17 LEU HD12 . 34108 2 209 . 1 1 17 17 LEU HD13 H 1 0.841 0.020 . 2 . . . A 17 LEU HD13 . 34108 2 210 . 1 1 17 17 LEU HD21 H 1 0.904 0.020 . 2 . . . A 17 LEU HD21 . 34108 2 211 . 1 1 17 17 LEU HD22 H 1 0.904 0.020 . 2 . . . A 17 LEU HD22 . 34108 2 212 . 1 1 17 17 LEU HD23 H 1 0.904 0.020 . 2 . . . A 17 LEU HD23 . 34108 2 213 . 1 1 17 17 LEU C C 13 178.036 0.400 . 1 . . . A 17 LEU C . 34108 2 214 . 1 1 17 17 LEU CA C 13 57.993 0.400 . 1 . . . A 17 LEU CA . 34108 2 215 . 1 1 17 17 LEU CB C 13 41.514 0.400 . 1 . . . A 17 LEU CB . 34108 2 216 . 1 1 17 17 LEU CG C 13 26.674 0.400 . 1 . . . A 17 LEU CG . 34108 2 217 . 1 1 17 17 LEU CD1 C 13 23.572 0.400 . 2 . . . A 17 LEU CD1 . 34108 2 218 . 1 1 17 17 LEU CD2 C 13 24.186 0.400 . 2 . . . A 17 LEU CD2 . 34108 2 219 . 1 1 17 17 LEU N N 15 118.259 0.400 . 1 . . . A 17 LEU N . 34108 2 220 . 1 1 18 18 SER H H 1 8.295 0.020 . 1 . . . A 18 SER H . 34108 2 221 . 1 1 18 18 SER HA H 1 3.998 0.020 . 1 . . . A 18 SER HA . 34108 2 222 . 1 1 18 18 SER HB2 H 1 3.639 0.020 . 2 . . . A 18 SER HB2 . 34108 2 223 . 1 1 18 18 SER HB3 H 1 3.602 0.020 . 2 . . . A 18 SER HB3 . 34108 2 224 . 1 1 18 18 SER C C 13 174.993 0.400 . 1 . . . A 18 SER C . 34108 2 225 . 1 1 18 18 SER CA C 13 63.452 0.400 . 1 . . . A 18 SER CA . 34108 2 226 . 1 1 18 18 SER CB C 13 62.605 0.400 . 1 . . . A 18 SER CB . 34108 2 227 . 1 1 18 18 SER N N 15 114.215 0.400 . 1 . . . A 18 SER N . 34108 2 228 . 1 1 19 19 VAL H H 1 7.860 0.020 . 1 . . . A 19 VAL H . 34108 2 229 . 1 1 19 19 VAL HA H 1 3.621 0.020 . 1 . . . A 19 VAL HA . 34108 2 230 . 1 1 19 19 VAL HB H 1 2.245 0.020 . 1 . . . A 19 VAL HB . 34108 2 231 . 1 1 19 19 VAL HG11 H 1 0.880 0.020 . 2 . . . A 19 VAL HG11 . 34108 2 232 . 1 1 19 19 VAL HG12 H 1 0.880 0.020 . 2 . . . A 19 VAL HG12 . 34108 2 233 . 1 1 19 19 VAL HG13 H 1 0.880 0.020 . 2 . . . A 19 VAL HG13 . 34108 2 234 . 1 1 19 19 VAL HG21 H 1 1.069 0.020 . 2 . . . A 19 VAL HG21 . 34108 2 235 . 1 1 19 19 VAL HG22 H 1 1.069 0.020 . 2 . . . A 19 VAL HG22 . 34108 2 236 . 1 1 19 19 VAL HG23 H 1 1.069 0.020 . 2 . . . A 19 VAL HG23 . 34108 2 237 . 1 1 19 19 VAL C C 13 178.339 0.400 . 1 . . . A 19 VAL C . 34108 2 238 . 1 1 19 19 VAL CA C 13 66.387 0.400 . 1 . . . A 19 VAL CA . 34108 2 239 . 1 1 19 19 VAL CB C 13 30.974 0.400 . 1 . . . A 19 VAL CB . 34108 2 240 . 1 1 19 19 VAL CG1 C 13 21.227 0.400 . 2 . . . A 19 VAL CG1 . 34108 2 241 . 1 1 19 19 VAL CG2 C 13 22.972 0.400 . 2 . . . A 19 VAL CG2 . 34108 2 242 . 1 1 19 19 VAL N N 15 120.536 0.400 . 1 . . . A 19 VAL N . 34108 2 243 . 1 1 20 20 LEU H H 1 8.258 0.020 . 1 . . . A 20 LEU H . 34108 2 244 . 1 1 20 20 LEU HA H 1 4.061 0.020 . 1 . . . A 20 LEU HA . 34108 2 245 . 1 1 20 20 LEU HB2 H 1 1.839 0.020 . 2 . . . A 20 LEU HB2 . 34108 2 246 . 1 1 20 20 LEU HB3 H 1 1.602 0.020 . 2 . . . A 20 LEU HB3 . 34108 2 247 . 1 1 20 20 LEU HG H 1 1.732 0.020 . 1 . . . A 20 LEU HG . 34108 2 248 . 1 1 20 20 LEU HD11 H 1 0.879 0.020 . 2 . . . A 20 LEU HD11 . 34108 2 249 . 1 1 20 20 LEU HD12 H 1 0.879 0.020 . 2 . . . A 20 LEU HD12 . 34108 2 250 . 1 1 20 20 LEU HD13 H 1 0.879 0.020 . 2 . . . A 20 LEU HD13 . 34108 2 251 . 1 1 20 20 LEU HD21 H 1 0.781 0.020 . 2 . . . A 20 LEU HD21 . 34108 2 252 . 1 1 20 20 LEU HD22 H 1 0.781 0.020 . 2 . . . A 20 LEU HD22 . 34108 2 253 . 1 1 20 20 LEU HD23 H 1 0.781 0.020 . 2 . . . A 20 LEU HD23 . 34108 2 254 . 1 1 20 20 LEU C C 13 177.594 0.400 . 1 . . . A 20 LEU C . 34108 2 255 . 1 1 20 20 LEU CA C 13 58.445 0.400 . 1 . . . A 20 LEU CA . 34108 2 256 . 1 1 20 20 LEU CB C 13 41.308 0.400 . 1 . . . A 20 LEU CB . 34108 2 257 . 1 1 20 20 LEU CG C 13 26.495 0.400 . 1 . . . A 20 LEU CG . 34108 2 258 . 1 1 20 20 LEU CD1 C 13 24.232 0.400 . 2 . . . A 20 LEU CD1 . 34108 2 259 . 1 1 20 20 LEU CD2 C 13 23.497 0.400 . 2 . . . A 20 LEU CD2 . 34108 2 260 . 1 1 20 20 LEU N N 15 122.025 0.400 . 1 . . . A 20 LEU N . 34108 2 261 . 1 1 21 21 VAL H H 1 8.495 0.020 . 1 . . . A 21 VAL H . 34108 2 262 . 1 1 21 21 VAL HA H 1 3.428 0.020 . 1 . . . A 21 VAL HA . 34108 2 263 . 1 1 21 21 VAL HB H 1 2.212 0.020 . 1 . . . A 21 VAL HB . 34108 2 264 . 1 1 21 21 VAL HG11 H 1 0.918 0.020 . 2 . . . A 21 VAL HG11 . 34108 2 265 . 1 1 21 21 VAL HG12 H 1 0.918 0.020 . 2 . . . A 21 VAL HG12 . 34108 2 266 . 1 1 21 21 VAL HG13 H 1 0.918 0.020 . 2 . . . A 21 VAL HG13 . 34108 2 267 . 1 1 21 21 VAL HG21 H 1 1.062 0.020 . 2 . . . A 21 VAL HG21 . 34108 2 268 . 1 1 21 21 VAL HG22 H 1 1.062 0.020 . 2 . . . A 21 VAL HG22 . 34108 2 269 . 1 1 21 21 VAL HG23 H 1 1.062 0.020 . 2 . . . A 21 VAL HG23 . 34108 2 270 . 1 1 21 21 VAL C C 13 177.061 0.400 . 1 . . . A 21 VAL C . 34108 2 271 . 1 1 21 21 VAL CA C 13 67.274 0.400 . 1 . . . A 21 VAL CA . 34108 2 272 . 1 1 21 21 VAL CB C 13 31.052 0.400 . 1 . . . A 21 VAL CB . 34108 2 273 . 1 1 21 21 VAL CG1 C 13 21.060 0.400 . 2 . . . A 21 VAL CG1 . 34108 2 274 . 1 1 21 21 VAL CG2 C 13 22.972 0.400 . 2 . . . A 21 VAL CG2 . 34108 2 275 . 1 1 21 21 VAL N N 15 117.515 0.400 . 1 . . . A 21 VAL N . 34108 2 276 . 1 1 22 22 VAL H H 1 8.260 0.020 . 1 . . . A 22 VAL H . 34108 2 277 . 1 1 22 22 VAL HA H 1 3.500 0.020 . 1 . . . A 22 VAL HA . 34108 2 278 . 1 1 22 22 VAL HB H 1 2.212 0.020 . 1 . . . A 22 VAL HB . 34108 2 279 . 1 1 22 22 VAL HG11 H 1 0.930 0.020 . 2 . . . A 22 VAL HG11 . 34108 2 280 . 1 1 22 22 VAL HG12 H 1 0.930 0.020 . 2 . . . A 22 VAL HG12 . 34108 2 281 . 1 1 22 22 VAL HG13 H 1 0.930 0.020 . 2 . . . A 22 VAL HG13 . 34108 2 282 . 1 1 22 22 VAL HG21 H 1 1.073 0.020 . 2 . . . A 22 VAL HG21 . 34108 2 283 . 1 1 22 22 VAL HG22 H 1 1.073 0.020 . 2 . . . A 22 VAL HG22 . 34108 2 284 . 1 1 22 22 VAL HG23 H 1 1.073 0.020 . 2 . . . A 22 VAL HG23 . 34108 2 285 . 1 1 22 22 VAL C C 13 176.757 0.400 . 1 . . . A 22 VAL C . 34108 2 286 . 1 1 22 22 VAL CA C 13 66.913 0.400 . 1 . . . A 22 VAL CA . 34108 2 287 . 1 1 22 22 VAL CB C 13 31.029 0.400 . 1 . . . A 22 VAL CB . 34108 2 288 . 1 1 22 22 VAL CG1 C 13 21.255 0.400 . 2 . . . A 22 VAL CG1 . 34108 2 289 . 1 1 22 22 VAL CG2 C 13 23.046 0.400 . 2 . . . A 22 VAL CG2 . 34108 2 290 . 1 1 22 22 VAL N N 15 116.979 0.400 . 1 . . . A 22 VAL N . 34108 2 291 . 1 1 23 23 SER H H 1 8.109 0.020 . 1 . . . A 23 SER H . 34108 2 292 . 1 1 23 23 SER HA H 1 4.072 0.020 . 1 . . . A 23 SER HA . 34108 2 293 . 1 1 23 23 SER HB2 H 1 3.555 0.020 . 2 . . . A 23 SER HB2 . 34108 2 294 . 1 1 23 23 SER C C 13 174.697 0.400 . 1 . . . A 23 SER C . 34108 2 295 . 1 1 23 23 SER CA C 13 63.445 0.400 . 1 . . . A 23 SER CA . 34108 2 296 . 1 1 23 23 SER CB C 13 62.733 0.400 . 1 . . . A 23 SER CB . 34108 2 297 . 1 1 23 23 SER N N 15 115.204 0.400 . 1 . . . A 23 SER N . 34108 2 298 . 1 1 24 24 VAL H H 1 8.028 0.020 . 1 . . . A 24 VAL H . 34108 2 299 . 1 1 24 24 VAL HA H 1 3.643 0.020 . 1 . . . A 24 VAL HA . 34108 2 300 . 1 1 24 24 VAL HB H 1 2.267 0.020 . 1 . . . A 24 VAL HB . 34108 2 301 . 1 1 24 24 VAL HG11 H 1 0.910 0.020 . 2 . . . A 24 VAL HG11 . 34108 2 302 . 1 1 24 24 VAL HG12 H 1 0.910 0.020 . 2 . . . A 24 VAL HG12 . 34108 2 303 . 1 1 24 24 VAL HG13 H 1 0.910 0.020 . 2 . . . A 24 VAL HG13 . 34108 2 304 . 1 1 24 24 VAL HG21 H 1 1.085 0.020 . 2 . . . A 24 VAL HG21 . 34108 2 305 . 1 1 24 24 VAL HG22 H 1 1.085 0.020 . 2 . . . A 24 VAL HG22 . 34108 2 306 . 1 1 24 24 VAL HG23 H 1 1.085 0.020 . 2 . . . A 24 VAL HG23 . 34108 2 307 . 1 1 24 24 VAL C C 13 177.188 0.400 . 1 . . . A 24 VAL C . 34108 2 308 . 1 1 24 24 VAL CA C 13 66.695 0.400 . 1 . . . A 24 VAL CA . 34108 2 309 . 1 1 24 24 VAL CB C 13 31.097 0.400 . 1 . . . A 24 VAL CB . 34108 2 310 . 1 1 24 24 VAL CG1 C 13 21.125 0.400 . 2 . . . A 24 VAL CG1 . 34108 2 311 . 1 1 24 24 VAL CG2 C 13 22.998 0.400 . 2 . . . A 24 VAL CG2 . 34108 2 312 . 1 1 24 24 VAL N N 15 120.207 0.400 . 1 . . . A 24 VAL N . 34108 2 313 . 1 1 25 25 VAL H H 1 8.202 0.020 . 1 . . . A 25 VAL H . 34108 2 314 . 1 1 25 25 VAL HA H 1 3.532 0.020 . 1 . . . A 25 VAL HA . 34108 2 315 . 1 1 25 25 VAL HB H 1 2.217 0.020 . 1 . . . A 25 VAL HB . 34108 2 316 . 1 1 25 25 VAL HG11 H 1 0.910 0.020 . 2 . . . A 25 VAL HG11 . 34108 2 317 . 1 1 25 25 VAL HG12 H 1 0.910 0.020 . 2 . . . A 25 VAL HG12 . 34108 2 318 . 1 1 25 25 VAL HG13 H 1 0.910 0.020 . 2 . . . A 25 VAL HG13 . 34108 2 319 . 1 1 25 25 VAL HG21 H 1 1.057 0.020 . 2 . . . A 25 VAL HG21 . 34108 2 320 . 1 1 25 25 VAL HG22 H 1 1.057 0.020 . 2 . . . A 25 VAL HG22 . 34108 2 321 . 1 1 25 25 VAL HG23 H 1 1.057 0.020 . 2 . . . A 25 VAL HG23 . 34108 2 322 . 1 1 25 25 VAL C C 13 176.703 0.400 . 1 . . . A 25 VAL C . 34108 2 323 . 1 1 25 25 VAL CA C 13 67.204 0.400 . 1 . . . A 25 VAL CA . 34108 2 324 . 1 1 25 25 VAL CB C 13 30.907 0.400 . 1 . . . A 25 VAL CB . 34108 2 325 . 1 1 25 25 VAL CG1 C 13 21.562 0.400 . 2 . . . A 25 VAL CG1 . 34108 2 326 . 1 1 25 25 VAL CG2 C 13 23.198 0.400 . 2 . . . A 25 VAL CG2 . 34108 2 327 . 1 1 25 25 VAL N N 15 118.463 0.400 . 1 . . . A 25 VAL N . 34108 2 328 . 1 1 26 26 ALA H H 1 8.661 0.020 . 1 . . . A 26 ALA H . 34108 2 329 . 1 1 26 26 ALA HA H 1 3.913 0.020 . 1 . . . A 26 ALA HA . 34108 2 330 . 1 1 26 26 ALA HB1 H 1 1.530 0.020 . 1 . . . A 26 ALA HB1 . 34108 2 331 . 1 1 26 26 ALA HB2 H 1 1.530 0.020 . 1 . . . A 26 ALA HB2 . 34108 2 332 . 1 1 26 26 ALA HB3 H 1 1.530 0.020 . 1 . . . A 26 ALA HB3 . 34108 2 333 . 1 1 26 26 ALA C C 13 178.622 0.400 . 1 . . . A 26 ALA C . 34108 2 334 . 1 1 26 26 ALA CA C 13 55.707 0.400 . 1 . . . A 26 ALA CA . 34108 2 335 . 1 1 26 26 ALA CB C 13 17.856 0.400 . 1 . . . A 26 ALA CB . 34108 2 336 . 1 1 26 26 ALA N N 15 120.467 0.400 . 1 . . . A 26 ALA N . 34108 2 337 . 1 1 27 27 VAL H H 1 8.008 0.020 . 1 . . . A 27 VAL H . 34108 2 338 . 1 1 27 27 VAL HA H 1 3.623 0.020 . 1 . . . A 27 VAL HA . 34108 2 339 . 1 1 27 27 VAL HB H 1 2.280 0.020 . 1 . . . A 27 VAL HB . 34108 2 340 . 1 1 27 27 VAL HG11 H 1 1.053 0.020 . 2 . . . A 27 VAL HG11 . 34108 2 341 . 1 1 27 27 VAL HG12 H 1 1.053 0.020 . 2 . . . A 27 VAL HG12 . 34108 2 342 . 1 1 27 27 VAL HG13 H 1 1.053 0.020 . 2 . . . A 27 VAL HG13 . 34108 2 343 . 1 1 27 27 VAL HG21 H 1 1.166 0.020 . 2 . . . A 27 VAL HG21 . 34108 2 344 . 1 1 27 27 VAL HG22 H 1 1.166 0.020 . 2 . . . A 27 VAL HG22 . 34108 2 345 . 1 1 27 27 VAL HG23 H 1 1.166 0.020 . 2 . . . A 27 VAL HG23 . 34108 2 346 . 1 1 27 27 VAL C C 13 177.464 0.400 . 1 . . . A 27 VAL C . 34108 2 347 . 1 1 27 27 VAL CA C 13 66.664 0.400 . 1 . . . A 27 VAL CA . 34108 2 348 . 1 1 27 27 VAL CB C 13 31.109 0.400 . 1 . . . A 27 VAL CB . 34108 2 349 . 1 1 27 27 VAL CG1 C 13 21.469 0.400 . 2 . . . A 27 VAL CG1 . 34108 2 350 . 1 1 27 27 VAL CG2 C 13 23.060 0.400 . 2 . . . A 27 VAL CG2 . 34108 2 351 . 1 1 27 27 VAL N N 15 116.233 0.400 . 1 . . . A 27 VAL N . 34108 2 352 . 1 1 28 28 LEU H H 1 8.254 0.020 . 1 . . . A 28 LEU H . 34108 2 353 . 1 1 28 28 LEU HA H 1 4.070 0.020 . 1 . . . A 28 LEU HA . 34108 2 354 . 1 1 28 28 LEU HB2 H 1 2.116 0.020 . 2 . . . A 28 LEU HB2 . 34108 2 355 . 1 1 28 28 LEU HB3 H 1 1.459 0.020 . 2 . . . A 28 LEU HB3 . 34108 2 356 . 1 1 28 28 LEU HG H 1 2.008 0.020 . 1 . . . A 28 LEU HG . 34108 2 357 . 1 1 28 28 LEU HD11 H 1 0.885 0.020 . 2 . . . A 28 LEU HD11 . 34108 2 358 . 1 1 28 28 LEU HD12 H 1 0.885 0.020 . 2 . . . A 28 LEU HD12 . 34108 2 359 . 1 1 28 28 LEU HD13 H 1 0.885 0.020 . 2 . . . A 28 LEU HD13 . 34108 2 360 . 1 1 28 28 LEU HD21 H 1 0.909 0.020 . 2 . . . A 28 LEU HD21 . 34108 2 361 . 1 1 28 28 LEU HD22 H 1 0.909 0.020 . 2 . . . A 28 LEU HD22 . 34108 2 362 . 1 1 28 28 LEU HD23 H 1 0.909 0.020 . 2 . . . A 28 LEU HD23 . 34108 2 363 . 1 1 28 28 LEU C C 13 178.676 0.400 . 1 . . . A 28 LEU C . 34108 2 364 . 1 1 28 28 LEU CA C 13 58.276 0.400 . 1 . . . A 28 LEU CA . 34108 2 365 . 1 1 28 28 LEU CB C 13 41.510 0.400 . 1 . . . A 28 LEU CB . 34108 2 366 . 1 1 28 28 LEU CG C 13 26.361 0.400 . 1 . . . A 28 LEU CG . 34108 2 367 . 1 1 28 28 LEU CD1 C 13 25.498 0.400 . 2 . . . A 28 LEU CD1 . 34108 2 368 . 1 1 28 28 LEU CD2 C 13 22.972 0.400 . 2 . . . A 28 LEU CD2 . 34108 2 369 . 1 1 28 28 LEU N N 15 119.486 0.400 . 1 . . . A 28 LEU N . 34108 2 370 . 1 1 29 29 VAL H H 1 8.818 0.020 . 1 . . . A 29 VAL H . 34108 2 371 . 1 1 29 29 VAL HA H 1 3.613 0.020 . 1 . . . A 29 VAL HA . 34108 2 372 . 1 1 29 29 VAL HB H 1 2.265 0.020 . 1 . . . A 29 VAL HB . 34108 2 373 . 1 1 29 29 VAL HG11 H 1 1.021 0.020 . 2 . . . A 29 VAL HG11 . 34108 2 374 . 1 1 29 29 VAL HG12 H 1 1.021 0.020 . 2 . . . A 29 VAL HG12 . 34108 2 375 . 1 1 29 29 VAL HG13 H 1 1.021 0.020 . 2 . . . A 29 VAL HG13 . 34108 2 376 . 1 1 29 29 VAL HG21 H 1 1.104 0.020 . 2 . . . A 29 VAL HG21 . 34108 2 377 . 1 1 29 29 VAL HG22 H 1 1.104 0.020 . 2 . . . A 29 VAL HG22 . 34108 2 378 . 1 1 29 29 VAL HG23 H 1 1.104 0.020 . 2 . . . A 29 VAL HG23 . 34108 2 379 . 1 1 29 29 VAL C C 13 177.114 0.400 . 1 . . . A 29 VAL C . 34108 2 380 . 1 1 29 29 VAL CA C 13 67.015 0.400 . 1 . . . A 29 VAL CA . 34108 2 381 . 1 1 29 29 VAL CB C 13 30.856 0.400 . 1 . . . A 29 VAL CB . 34108 2 382 . 1 1 29 29 VAL CG1 C 13 21.757 0.400 . 2 . . . A 29 VAL CG1 . 34108 2 383 . 1 1 29 29 VAL CG2 C 13 23.237 0.400 . 2 . . . A 29 VAL CG2 . 34108 2 384 . 1 1 29 29 VAL N N 15 118.448 0.400 . 1 . . . A 29 VAL N . 34108 2 385 . 1 1 30 30 TYR H H 1 8.530 0.020 . 1 . . . A 30 TYR H . 34108 2 386 . 1 1 30 30 TYR HA H 1 4.325 0.020 . 1 . . . A 30 TYR HA . 34108 2 387 . 1 1 30 30 TYR HB2 H 1 3.326 0.020 . 2 . . . A 30 TYR HB2 . 34108 2 388 . 1 1 30 30 TYR HB3 H 1 3.141 0.020 . 2 . . . A 30 TYR HB3 . 34108 2 389 . 1 1 30 30 TYR HD1 H 1 6.956 0.020 . 1 . . . A 30 TYR HD1 . 34108 2 390 . 1 1 30 30 TYR HD2 H 1 6.956 0.020 . 1 . . . A 30 TYR HD2 . 34108 2 391 . 1 1 30 30 TYR HE1 H 1 6.739 0.020 . 1 . . . A 30 TYR HE1 . 34108 2 392 . 1 1 30 30 TYR HE2 H 1 6.739 0.020 . 1 . . . A 30 TYR HE2 . 34108 2 393 . 1 1 30 30 TYR C C 13 176.966 0.400 . 1 . . . A 30 TYR C . 34108 2 394 . 1 1 30 30 TYR CA C 13 62.110 0.400 . 1 . . . A 30 TYR CA . 34108 2 395 . 1 1 30 30 TYR CB C 13 38.420 0.400 . 1 . . . A 30 TYR CB . 34108 2 396 . 1 1 30 30 TYR CD1 C 13 132.756 0.400 . 3 . . . A 30 TYR CD1 . 34108 2 397 . 1 1 30 30 TYR CE1 C 13 117.919 0.400 . 3 . . . A 30 TYR CE1 . 34108 2 398 . 1 1 30 30 TYR N N 15 120.339 0.400 . 1 . . . A 30 TYR N . 34108 2 399 . 1 1 31 31 LYS H H 1 8.834 0.020 . 1 . . . A 31 LYS H . 34108 2 400 . 1 1 31 31 LYS HA H 1 3.950 0.020 . 1 . . . A 31 LYS HA . 34108 2 401 . 1 1 31 31 LYS HB2 H 1 1.576 0.020 . 2 . . . A 31 LYS HB2 . 34108 2 402 . 1 1 31 31 LYS HB3 H 1 1.576 0.020 . 2 . . . A 31 LYS HB3 . 34108 2 403 . 1 1 31 31 LYS HG2 H 1 1.259 0.020 . 2 . . . A 31 LYS HG2 . 34108 2 404 . 1 1 31 31 LYS HG3 H 1 1.259 0.020 . 2 . . . A 31 LYS HG3 . 34108 2 405 . 1 1 31 31 LYS HD2 H 1 1.617 0.020 . 2 . . . A 31 LYS HD2 . 34108 2 406 . 1 1 31 31 LYS HD3 H 1 1.617 0.020 . 2 . . . A 31 LYS HD3 . 34108 2 407 . 1 1 31 31 LYS HE2 H 1 2.979 0.020 . 2 . . . A 31 LYS HE2 . 34108 2 408 . 1 1 31 31 LYS HE3 H 1 2.979 0.020 . 2 . . . A 31 LYS HE3 . 34108 2 409 . 1 1 31 31 LYS C C 13 179.188 0.400 . 1 . . . A 31 LYS C . 34108 2 410 . 1 1 31 31 LYS CA C 13 58.994 0.400 . 1 . . . A 31 LYS CA . 34108 2 411 . 1 1 31 31 LYS CB C 13 32.083 0.400 . 1 . . . A 31 LYS CB . 34108 2 412 . 1 1 31 31 LYS CG C 13 24.853 0.400 . 1 . . . A 31 LYS CG . 34108 2 413 . 1 1 31 31 LYS CD C 13 28.607 0.400 . 1 . . . A 31 LYS CD . 34108 2 414 . 1 1 31 31 LYS CE C 13 41.596 0.400 . 1 . . . A 31 LYS CE . 34108 2 415 . 1 1 31 31 LYS N N 15 117.416 0.400 . 1 . . . A 31 LYS N . 34108 2 416 . 1 1 32 32 PHE H H 1 8.664 0.020 . 1 . . . A 32 PHE H . 34108 2 417 . 1 1 32 32 PHE HA H 1 4.503 0.020 . 1 . . . A 32 PHE HA . 34108 2 418 . 1 1 32 32 PHE HB2 H 1 3.254 0.020 . 2 . . . A 32 PHE HB2 . 34108 2 419 . 1 1 32 32 PHE HB3 H 1 3.339 0.020 . 2 . . . A 32 PHE HB3 . 34108 2 420 . 1 1 32 32 PHE HD1 H 1 7.234 0.020 . 1 . . . A 32 PHE HD1 . 34108 2 421 . 1 1 32 32 PHE HD2 H 1 7.234 0.020 . 1 . . . A 32 PHE HD2 . 34108 2 422 . 1 1 32 32 PHE HE1 H 1 7.161 0.020 . 1 . . . A 32 PHE HE1 . 34108 2 423 . 1 1 32 32 PHE HE2 H 1 7.161 0.020 . 1 . . . A 32 PHE HE2 . 34108 2 424 . 1 1 32 32 PHE C C 13 176.339 0.400 . 1 . . . A 32 PHE C . 34108 2 425 . 1 1 32 32 PHE CA C 13 60.546 0.400 . 1 . . . A 32 PHE CA . 34108 2 426 . 1 1 32 32 PHE CB C 13 38.881 0.400 . 1 . . . A 32 PHE CB . 34108 2 427 . 1 1 32 32 PHE CE1 C 13 130.633 0.400 . 3 . . . A 32 PHE CE1 . 34108 2 428 . 1 1 32 32 PHE N N 15 119.853 0.400 . 1 . . . A 32 PHE N . 34108 2 429 . 1 1 33 33 TYR H H 1 8.673 0.020 . 1 . . . A 33 TYR H . 34108 2 430 . 1 1 33 33 TYR HA H 1 4.014 0.020 . 1 . . . A 33 TYR HA . 34108 2 431 . 1 1 33 33 TYR HB2 H 1 3.022 0.020 . 2 . . . A 33 TYR HB2 . 34108 2 432 . 1 1 33 33 TYR HB3 H 1 3.022 0.020 . 2 . . . A 33 TYR HB3 . 34108 2 433 . 1 1 33 33 TYR HD1 H 1 6.627 0.020 . 1 . . . A 33 TYR HD1 . 34108 2 434 . 1 1 33 33 TYR HD2 H 1 6.627 0.020 . 1 . . . A 33 TYR HD2 . 34108 2 435 . 1 1 33 33 TYR HE1 H 1 6.596 0.020 . 1 . . . A 33 TYR HE1 . 34108 2 436 . 1 1 33 33 TYR HE2 H 1 6.596 0.020 . 1 . . . A 33 TYR HE2 . 34108 2 437 . 1 1 33 33 TYR C C 13 176.320 0.400 . 1 . . . A 33 TYR C . 34108 2 438 . 1 1 33 33 TYR CA C 13 61.749 0.400 . 1 . . . A 33 TYR CA . 34108 2 439 . 1 1 33 33 TYR CB C 13 38.322 0.400 . 1 . . . A 33 TYR CB . 34108 2 440 . 1 1 33 33 TYR CD1 C 13 132.656 0.400 . 3 . . . A 33 TYR CD1 . 34108 2 441 . 1 1 33 33 TYR CE1 C 13 118.001 0.400 . 3 . . . A 33 TYR CE1 . 34108 2 442 . 1 1 33 33 TYR N N 15 120.348 0.400 . 1 . . . A 33 TYR N . 34108 2 443 . 1 1 34 34 PHE H H 1 8.564 0.020 . 1 . . . A 34 PHE H . 34108 2 444 . 1 1 34 34 PHE HA H 1 3.869 0.020 . 1 . . . A 34 PHE HA . 34108 2 445 . 1 1 34 34 PHE HB2 H 1 2.958 0.020 . 2 . . . A 34 PHE HB2 . 34108 2 446 . 1 1 34 34 PHE HB3 H 1 2.884 0.020 . 2 . . . A 34 PHE HB3 . 34108 2 447 . 1 1 34 34 PHE HD1 H 1 7.067 0.020 . 1 . . . A 34 PHE HD1 . 34108 2 448 . 1 1 34 34 PHE HD2 H 1 7.067 0.020 . 1 . . . A 34 PHE HD2 . 34108 2 449 . 1 1 34 34 PHE HE1 H 1 7.233 0.020 . 1 . . . A 34 PHE HE1 . 34108 2 450 . 1 1 34 34 PHE HE2 H 1 7.233 0.020 . 1 . . . A 34 PHE HE2 . 34108 2 451 . 1 1 34 34 PHE C C 13 177.316 0.400 . 1 . . . A 34 PHE C . 34108 2 452 . 1 1 34 34 PHE CA C 13 61.405 0.400 . 1 . . . A 34 PHE CA . 34108 2 453 . 1 1 34 34 PHE CB C 13 38.338 0.400 . 1 . . . A 34 PHE CB . 34108 2 454 . 1 1 34 34 PHE CD1 C 13 131.756 0.400 . 3 . . . A 34 PHE CD1 . 34108 2 455 . 1 1 34 34 PHE CE1 C 13 131.567 0.400 . 3 . . . A 34 PHE CE1 . 34108 2 456 . 1 1 34 34 PHE N N 15 117.699 0.400 . 1 . . . A 34 PHE N . 34108 2 457 . 1 1 35 35 HIS H H 1 8.076 0.020 . 1 . . . A 35 HIS H . 34108 2 458 . 1 1 35 35 HIS HA H 1 4.275 0.020 . 1 . . . A 35 HIS HA . 34108 2 459 . 1 1 35 35 HIS HB2 H 1 3.278 0.020 . 2 . . . A 35 HIS HB2 . 34108 2 460 . 1 1 35 35 HIS HB3 H 1 3.205 0.020 . 2 . . . A 35 HIS HB3 . 34108 2 461 . 1 1 35 35 HIS HD2 H 1 7.170 0.020 . 1 . . . A 35 HIS HD2 . 34108 2 462 . 1 1 35 35 HIS HE1 H 1 8.766 0.020 . 1 . . . A 35 HIS HE1 . 34108 2 463 . 1 1 35 35 HIS C C 13 176.367 0.400 . 1 . . . A 35 HIS C . 34108 2 464 . 1 1 35 35 HIS CA C 13 59.060 0.400 . 1 . . . A 35 HIS CA . 34108 2 465 . 1 1 35 35 HIS CB C 13 27.946 0.400 . 1 . . . A 35 HIS CB . 34108 2 466 . 1 1 35 35 HIS CD2 C 13 119.524 0.400 . 1 . . . A 35 HIS CD2 . 34108 2 467 . 1 1 35 35 HIS CE1 C 13 137.342 0.400 . 1 . . . A 35 HIS CE1 . 34108 2 468 . 1 1 35 35 HIS N N 15 116.423 0.400 . 1 . . . A 35 HIS N . 34108 2 469 . 1 1 36 36 LEU H H 1 8.236 0.020 . 1 . . . A 36 LEU H . 34108 2 470 . 1 1 36 36 LEU HA H 1 3.940 0.020 . 1 . . . A 36 LEU HA . 34108 2 471 . 1 1 36 36 LEU HB2 H 1 1.637 0.020 . 2 . . . A 36 LEU HB2 . 34108 2 472 . 1 1 36 36 LEU HB3 H 1 1.419 0.020 . 2 . . . A 36 LEU HB3 . 34108 2 473 . 1 1 36 36 LEU HG H 1 1.568 0.020 . 1 . . . A 36 LEU HG . 34108 2 474 . 1 1 36 36 LEU HD11 H 1 0.759 0.020 . 2 . . . A 36 LEU HD11 . 34108 2 475 . 1 1 36 36 LEU HD12 H 1 0.759 0.020 . 2 . . . A 36 LEU HD12 . 34108 2 476 . 1 1 36 36 LEU HD13 H 1 0.759 0.020 . 2 . . . A 36 LEU HD13 . 34108 2 477 . 1 1 36 36 LEU HD21 H 1 0.804 0.020 . 2 . . . A 36 LEU HD21 . 34108 2 478 . 1 1 36 36 LEU HD22 H 1 0.804 0.020 . 2 . . . A 36 LEU HD22 . 34108 2 479 . 1 1 36 36 LEU HD23 H 1 0.804 0.020 . 2 . . . A 36 LEU HD23 . 34108 2 480 . 1 1 36 36 LEU C C 13 178.023 0.400 . 1 . . . A 36 LEU C . 34108 2 481 . 1 1 36 36 LEU CA C 13 57.583 0.400 . 1 . . . A 36 LEU CA . 34108 2 482 . 1 1 36 36 LEU CB C 13 41.177 0.400 . 1 . . . A 36 LEU CB . 34108 2 483 . 1 1 36 36 LEU CG C 13 26.534 0.400 . 1 . . . A 36 LEU CG . 34108 2 484 . 1 1 36 36 LEU CD1 C 13 24.856 0.400 . 2 . . . A 36 LEU CD1 . 34108 2 485 . 1 1 36 36 LEU CD2 C 13 23.479 0.400 . 2 . . . A 36 LEU CD2 . 34108 2 486 . 1 1 36 36 LEU N N 15 120.102 0.400 . 1 . . . A 36 LEU N . 34108 2 487 . 1 1 37 37 MET H H 1 8.011 0.020 . 1 . . . A 37 MET H . 34108 2 488 . 1 1 37 37 MET HA H 1 3.984 0.020 . 1 . . . A 37 MET HA . 34108 2 489 . 1 1 37 37 MET HB2 H 1 1.650 0.020 . 2 . . . A 37 MET HB2 . 34108 2 490 . 1 1 37 37 MET HB3 H 1 1.893 0.020 . 2 . . . A 37 MET HB3 . 34108 2 491 . 1 1 37 37 MET HG2 H 1 2.250 0.020 . 2 . . . A 37 MET HG2 . 34108 2 492 . 1 1 37 37 MET HG3 H 1 1.991 0.020 . 2 . . . A 37 MET HG3 . 34108 2 493 . 1 1 37 37 MET HE1 H 1 1.900 0.020 . 1 . . . A 37 MET HE1 . 34108 2 494 . 1 1 37 37 MET HE2 H 1 1.900 0.020 . 1 . . . A 37 MET HE2 . 34108 2 495 . 1 1 37 37 MET HE3 H 1 1.900 0.020 . 1 . . . A 37 MET HE3 . 34108 2 496 . 1 1 37 37 MET C C 13 178.610 0.400 . 1 . . . A 37 MET C . 34108 2 497 . 1 1 37 37 MET CA C 13 57.352 0.400 . 1 . . . A 37 MET CA . 34108 2 498 . 1 1 37 37 MET CG C 13 32.049 0.400 . 1 . . . A 37 MET CG . 34108 2 499 . 1 1 37 37 MET CE C 13 17.160 0.400 . 1 . . . A 37 MET CE . 34108 2 500 . 1 1 37 37 MET N N 15 117.017 0.400 . 1 . . . A 37 MET N . 34108 2 501 . 1 1 38 38 LEU H H 1 7.683 0.020 . 1 . . . A 38 LEU H . 34108 2 502 . 1 1 38 38 LEU HA H 1 4.065 0.020 . 1 . . . A 38 LEU HA . 34108 2 503 . 1 1 38 38 LEU HB2 H 1 1.699 0.020 . 2 . . . A 38 LEU HB2 . 34108 2 504 . 1 1 38 38 LEU HB3 H 1 1.531 0.020 . 2 . . . A 38 LEU HB3 . 34108 2 505 . 1 1 38 38 LEU HG H 1 1.526 0.020 . 1 . . . A 38 LEU HG . 34108 2 506 . 1 1 38 38 LEU HD11 H 1 0.762 0.020 . 2 . . . A 38 LEU HD11 . 34108 2 507 . 1 1 38 38 LEU HD12 H 1 0.762 0.020 . 2 . . . A 38 LEU HD12 . 34108 2 508 . 1 1 38 38 LEU HD13 H 1 0.762 0.020 . 2 . . . A 38 LEU HD13 . 34108 2 509 . 1 1 38 38 LEU HD21 H 1 0.802 0.020 . 2 . . . A 38 LEU HD21 . 34108 2 510 . 1 1 38 38 LEU HD22 H 1 0.802 0.020 . 2 . . . A 38 LEU HD22 . 34108 2 511 . 1 1 38 38 LEU HD23 H 1 0.802 0.020 . 2 . . . A 38 LEU HD23 . 34108 2 512 . 1 1 38 38 LEU C C 13 179.464 0.400 . 1 . . . A 38 LEU C . 34108 2 513 . 1 1 38 38 LEU CA C 13 57.187 0.400 . 1 . . . A 38 LEU CA . 34108 2 514 . 1 1 38 38 LEU CB C 13 41.482 0.400 . 1 . . . A 38 LEU CB . 34108 2 515 . 1 1 38 38 LEU CG C 13 26.459 0.400 . 1 . . . A 38 LEU CG . 34108 2 516 . 1 1 38 38 LEU CD1 C 13 23.396 0.400 . 2 . . . A 38 LEU CD1 . 34108 2 517 . 1 1 38 38 LEU CD2 C 13 24.744 0.400 . 2 . . . A 38 LEU CD2 . 34108 2 518 . 1 1 38 38 LEU N N 15 120.664 0.400 . 1 . . . A 38 LEU N . 34108 2 519 . 1 1 39 39 LEU H H 1 7.819 0.020 . 1 . . . A 39 LEU H . 34108 2 520 . 1 1 39 39 LEU HA H 1 4.065 0.020 . 1 . . . A 39 LEU HA . 34108 2 521 . 1 1 39 39 LEU HB2 H 1 1.750 0.020 . 2 . . . A 39 LEU HB2 . 34108 2 522 . 1 1 39 39 LEU HB3 H 1 1.638 0.020 . 2 . . . A 39 LEU HB3 . 34108 2 523 . 1 1 39 39 LEU HG H 1 1.655 0.020 . 1 . . . A 39 LEU HG . 34108 2 524 . 1 1 39 39 LEU HD11 H 1 0.862 0.020 . 2 . . . A 39 LEU HD11 . 34108 2 525 . 1 1 39 39 LEU HD12 H 1 0.862 0.020 . 2 . . . A 39 LEU HD12 . 34108 2 526 . 1 1 39 39 LEU HD13 H 1 0.862 0.020 . 2 . . . A 39 LEU HD13 . 34108 2 527 . 1 1 39 39 LEU HD21 H 1 0.865 0.020 . 2 . . . A 39 LEU HD21 . 34108 2 528 . 1 1 39 39 LEU HD22 H 1 0.865 0.020 . 2 . . . A 39 LEU HD22 . 34108 2 529 . 1 1 39 39 LEU HD23 H 1 0.865 0.020 . 2 . . . A 39 LEU HD23 . 34108 2 530 . 1 1 39 39 LEU C C 13 177.989 0.400 . 1 . . . A 39 LEU C . 34108 2 531 . 1 1 39 39 LEU CA C 13 56.957 0.400 . 1 . . . A 39 LEU CA . 34108 2 532 . 1 1 39 39 LEU CB C 13 41.634 0.400 . 1 . . . A 39 LEU CB . 34108 2 533 . 1 1 39 39 LEU CG C 13 26.691 0.400 . 1 . . . A 39 LEU CG . 34108 2 534 . 1 1 39 39 LEU CD1 C 13 24.688 0.400 . 2 . . . A 39 LEU CD1 . 34108 2 535 . 1 1 39 39 LEU CD2 C 13 23.432 0.400 . 2 . . . A 39 LEU CD2 . 34108 2 536 . 1 1 39 39 LEU N N 15 120.260 0.400 . 1 . . . A 39 LEU N . 34108 2 537 . 1 1 40 40 ALA H H 1 8.157 0.020 . 1 . . . A 40 ALA H . 34108 2 538 . 1 1 40 40 ALA HA H 1 4.072 0.020 . 1 . . . A 40 ALA HA . 34108 2 539 . 1 1 40 40 ALA HB1 H 1 1.480 0.020 . 1 . . . A 40 ALA HB1 . 34108 2 540 . 1 1 40 40 ALA HB2 H 1 1.480 0.020 . 1 . . . A 40 ALA HB2 . 34108 2 541 . 1 1 40 40 ALA HB3 H 1 1.480 0.020 . 1 . . . A 40 ALA HB3 . 34108 2 542 . 1 1 40 40 ALA C C 13 178.346 0.400 . 1 . . . A 40 ALA C . 34108 2 543 . 1 1 40 40 ALA CA C 13 53.590 0.400 . 1 . . . A 40 ALA CA . 34108 2 544 . 1 1 40 40 ALA CB C 13 18.426 0.400 . 1 . . . A 40 ALA CB . 34108 2 545 . 1 1 40 40 ALA N N 15 119.802 0.400 . 1 . . . A 40 ALA N . 34108 2 546 . 1 1 41 41 GLY H H 1 7.938 0.020 . 1 . . . A 41 GLY H . 34108 2 547 . 1 1 41 41 GLY HA2 H 1 3.995 0.020 . 2 . . . A 41 GLY HA2 . 34108 2 548 . 1 1 41 41 GLY C C 13 174.731 0.400 . 1 . . . A 41 GLY C . 34108 2 549 . 1 1 41 41 GLY CA C 13 45.801 0.400 . 1 . . . A 41 GLY CA . 34108 2 550 . 1 1 41 41 GLY N N 15 104.635 0.400 . 1 . . . A 41 GLY N . 34108 2 551 . 1 1 42 42 CYS H H 1 7.955 0.020 . 1 . . . A 42 CYS H . 34108 2 552 . 1 1 42 42 CYS HA H 1 4.435 0.020 . 1 . . . A 42 CYS HA . 34108 2 553 . 1 1 42 42 CYS HB2 H 1 2.917 0.020 . 2 . . . A 42 CYS HB2 . 34108 2 554 . 1 1 42 42 CYS HB3 H 1 3.064 0.020 . 2 . . . A 42 CYS HB3 . 34108 2 555 . 1 1 42 42 CYS C C 13 174.710 0.400 . 1 . . . A 42 CYS C . 34108 2 556 . 1 1 42 42 CYS CA C 13 59.887 0.400 . 1 . . . A 42 CYS CA . 34108 2 557 . 1 1 42 42 CYS CB C 13 27.256 0.400 . 1 . . . A 42 CYS CB . 34108 2 558 . 1 1 42 42 CYS N N 15 117.652 0.400 . 1 . . . A 42 CYS N . 34108 2 559 . 1 1 43 43 ILE H H 1 7.670 0.020 . 1 . . . A 43 ILE H . 34108 2 560 . 1 1 43 43 ILE HA H 1 4.081 0.020 . 1 . . . A 43 ILE HA . 34108 2 561 . 1 1 43 43 ILE HB H 1 1.842 0.020 . 1 . . . A 43 ILE HB . 34108 2 562 . 1 1 43 43 ILE HG12 H 1 1.474 0.020 . 2 . . . A 43 ILE HG12 . 34108 2 563 . 1 1 43 43 ILE HG13 H 1 1.134 0.020 . 2 . . . A 43 ILE HG13 . 34108 2 564 . 1 1 43 43 ILE HG21 H 1 0.833 0.020 . 1 . . . A 43 ILE HG21 . 34108 2 565 . 1 1 43 43 ILE HG22 H 1 0.833 0.020 . 1 . . . A 43 ILE HG22 . 34108 2 566 . 1 1 43 43 ILE HG23 H 1 0.833 0.020 . 1 . . . A 43 ILE HG23 . 34108 2 567 . 1 1 43 43 ILE HD11 H 1 0.815 0.020 . 1 . . . A 43 ILE HD11 . 34108 2 568 . 1 1 43 43 ILE HD12 H 1 0.815 0.020 . 1 . . . A 43 ILE HD12 . 34108 2 569 . 1 1 43 43 ILE HD13 H 1 0.815 0.020 . 1 . . . A 43 ILE HD13 . 34108 2 570 . 1 1 43 43 ILE C C 13 175.316 0.400 . 1 . . . A 43 ILE C . 34108 2 571 . 1 1 43 43 ILE CA C 13 61.386 0.400 . 1 . . . A 43 ILE CA . 34108 2 572 . 1 1 43 43 ILE CB C 13 38.459 0.400 . 1 . . . A 43 ILE CB . 34108 2 573 . 1 1 43 43 ILE CG1 C 13 27.725 0.400 . 1 . . . A 43 ILE CG1 . 34108 2 574 . 1 1 43 43 ILE CG2 C 13 17.267 0.400 . 1 . . . A 43 ILE CG2 . 34108 2 575 . 1 1 43 43 ILE CD1 C 13 12.865 0.400 . 1 . . . A 43 ILE CD1 . 34108 2 576 . 1 1 43 43 ILE N N 15 119.249 0.400 . 1 . . . A 43 ILE N . 34108 2 577 . 1 1 44 44 LYS H H 1 8.083 0.020 . 1 . . . A 44 LYS H . 34108 2 578 . 1 1 44 44 LYS HA H 1 4.047 0.020 . 1 . . . A 44 LYS HA . 34108 2 579 . 1 1 44 44 LYS HB2 H 1 1.684 0.020 . 2 . . . A 44 LYS HB2 . 34108 2 580 . 1 1 44 44 LYS HB3 H 1 1.684 0.020 . 2 . . . A 44 LYS HB3 . 34108 2 581 . 1 1 44 44 LYS HG2 H 1 1.325 0.020 . 2 . . . A 44 LYS HG2 . 34108 2 582 . 1 1 44 44 LYS HD2 H 1 1.453 0.020 . 2 . . . A 44 LYS HD2 . 34108 2 583 . 1 1 44 44 LYS HD3 H 1 1.453 0.020 . 2 . . . A 44 LYS HD3 . 34108 2 584 . 1 1 44 44 LYS HE2 H 1 2.965 0.020 . 2 . . . A 44 LYS HE2 . 34108 2 585 . 1 1 44 44 LYS HE3 H 1 2.965 0.020 . 2 . . . A 44 LYS HE3 . 34108 2 586 . 1 1 44 44 LYS C C 13 175.875 0.400 . 1 . . . A 44 LYS C . 34108 2 587 . 1 1 44 44 LYS CA C 13 56.154 0.400 . 1 . . . A 44 LYS CA . 34108 2 588 . 1 1 44 44 LYS CB C 13 32.465 0.400 . 1 . . . A 44 LYS CB . 34108 2 589 . 1 1 44 44 LYS CG C 13 24.374 0.400 . 1 . . . A 44 LYS CG . 34108 2 590 . 1 1 44 44 LYS CD C 13 28.831 0.400 . 1 . . . A 44 LYS CD . 34108 2 591 . 1 1 44 44 LYS CE C 13 41.848 0.400 . 1 . . . A 44 LYS CE . 34108 2 592 . 1 1 44 44 LYS N N 15 122.788 0.400 . 1 . . . A 44 LYS N . 34108 2 593 . 1 1 45 45 TYR H H 1 8.040 0.020 . 1 . . . A 45 TYR H . 34108 2 594 . 1 1 45 45 TYR HA H 1 4.556 0.020 . 1 . . . A 45 TYR HA . 34108 2 595 . 1 1 45 45 TYR HB2 H 1 3.098 0.020 . 2 . . . A 45 TYR HB2 . 34108 2 596 . 1 1 45 45 TYR HB3 H 1 2.939 0.020 . 2 . . . A 45 TYR HB3 . 34108 2 597 . 1 1 45 45 TYR HD1 H 1 7.104 0.020 . 1 . . . A 45 TYR HD1 . 34108 2 598 . 1 1 45 45 TYR HD2 H 1 7.104 0.020 . 1 . . . A 45 TYR HD2 . 34108 2 599 . 1 1 45 45 TYR HE1 H 1 6.786 0.020 . 1 . . . A 45 TYR HE1 . 34108 2 600 . 1 1 45 45 TYR HE2 H 1 6.786 0.020 . 1 . . . A 45 TYR HE2 . 34108 2 601 . 1 1 45 45 TYR C C 13 175.889 0.400 . 1 . . . A 45 TYR C . 34108 2 602 . 1 1 45 45 TYR CA C 13 57.800 0.400 . 1 . . . A 45 TYR CA . 34108 2 603 . 1 1 45 45 TYR CB C 13 38.636 0.400 . 1 . . . A 45 TYR CB . 34108 2 604 . 1 1 45 45 TYR CD1 C 13 133.082 0.400 . 3 . . . A 45 TYR CD1 . 34108 2 605 . 1 1 45 45 TYR CE1 C 13 118.141 0.400 . 3 . . . A 45 TYR CE1 . 34108 2 606 . 1 1 45 45 TYR N N 15 119.893 0.400 . 1 . . . A 45 TYR N . 34108 2 607 . 1 1 46 46 GLY H H 1 8.177 0.020 . 1 . . . A 46 GLY H . 34108 2 608 . 1 1 46 46 GLY HA2 H 1 3.927 0.020 . 2 . . . A 46 GLY HA2 . 34108 2 609 . 1 1 46 46 GLY C C 13 173.445 0.400 . 1 . . . A 46 GLY C . 34108 2 610 . 1 1 46 46 GLY CA C 13 45.150 0.400 . 1 . . . A 46 GLY CA . 34108 2 611 . 1 1 46 46 GLY N N 15 109.953 0.400 . 1 . . . A 46 GLY N . 34108 2 612 . 1 1 47 47 ARG H H 1 8.066 0.020 . 1 . . . A 47 ARG H . 34108 2 613 . 1 1 47 47 ARG HA H 1 4.366 0.020 . 1 . . . A 47 ARG HA . 34108 2 614 . 1 1 47 47 ARG HB2 H 1 1.912 0.020 . 2 . . . A 47 ARG HB2 . 34108 2 615 . 1 1 47 47 ARG HB3 H 1 1.739 0.020 . 2 . . . A 47 ARG HB3 . 34108 2 616 . 1 1 47 47 ARG HG2 H 1 1.623 0.020 . 2 . . . A 47 ARG HG2 . 34108 2 617 . 1 1 47 47 ARG HG3 H 1 1.623 0.020 . 2 . . . A 47 ARG HG3 . 34108 2 618 . 1 1 47 47 ARG C C 13 175.471 0.400 . 1 . . . A 47 ARG C . 34108 2 619 . 1 1 47 47 ARG CA C 13 55.553 0.400 . 1 . . . A 47 ARG CA . 34108 2 620 . 1 1 47 47 ARG CB C 13 30.705 0.400 . 1 . . . A 47 ARG CB . 34108 2 621 . 1 1 47 47 ARG CG C 13 26.808 0.400 . 1 . . . A 47 ARG CG . 34108 2 622 . 1 1 47 47 ARG N N 15 119.942 0.400 . 1 . . . A 47 ARG N . 34108 2 623 . 1 1 48 48 GLY H H 1 8.031 0.020 . 1 . . . A 48 GLY H . 34108 2 624 . 1 1 48 48 GLY HA2 H 1 3.786 0.020 . 2 . . . A 48 GLY HA2 . 34108 2 625 . 1 1 48 48 GLY C C 13 178.085 0.400 . 1 . . . A 48 GLY C . 34108 2 626 . 1 1 48 48 GLY CA C 13 45.598 0.400 . 1 . . . A 48 GLY CA . 34108 2 627 . 1 1 48 48 GLY N N 15 115.025 0.400 . 1 . . . A 48 GLY N . 34108 2 stop_ save_ save_assigned_chemical_shifts_3 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3 _Assigned_chem_shift_list.Entry_ID 34108 _Assigned_chem_shift_list.ID 3 _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 'chemical shifts in DPC q=0.4 bicelles' _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' . . . 34108 3 2 '3D HNCA' . . . 34108 3 3 '3D HNCO' . . . 34108 3 4 '3D HN(CO)CA' . . . 34108 3 5 '3D HCCH-TOCSY' . . . 34108 3 6 '3D 1H-13C NOESY' . . . 34108 3 7 '3D 1H-15N NOESY' . . . 34108 3 8 '3D HCCH-COSY' . . . 34108 3 9 '3D HN(CO)CA' . . . 34108 3 10 '3D HNCA' . . . 34108 3 11 '3D HN(CO)CA' . . . 34108 3 12 '3D HNCA' . . . 34108 3 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET H H 1 8.609 0.020 . 1 . . . A 1 MET H1 . 34108 3 2 . 1 1 1 1 MET HA H 1 4.474 0.020 . 1 . . . A 1 MET HA . 34108 3 3 . 1 1 1 1 MET HB2 H 1 2.089 0.020 . 2 . . . A 1 MET HB2 . 34108 3 4 . 1 1 1 1 MET HB3 H 1 2.022 0.020 . 2 . . . A 1 MET HB3 . 34108 3 5 . 1 1 1 1 MET HG2 H 1 2.583 0.020 . 2 . . . A 1 MET HG2 . 34108 3 6 . 1 1 1 1 MET HG3 H 1 2.543 0.020 . 2 . . . A 1 MET HG3 . 34108 3 7 . 1 1 1 1 MET HE1 H 1 2.090 0.020 . 1 . . . A 1 MET HE1 . 34108 3 8 . 1 1 1 1 MET HE2 H 1 2.090 0.020 . 1 . . . A 1 MET HE2 . 34108 3 9 . 1 1 1 1 MET HE3 H 1 2.090 0.020 . 1 . . . A 1 MET HE3 . 34108 3 10 . 1 1 1 1 MET C C 13 174.974 0.400 . 1 . . . A 1 MET C . 34108 3 11 . 1 1 1 1 MET CA C 13 53.999 0.400 . 1 . . . A 1 MET CA . 34108 3 12 . 1 1 1 1 MET CB C 13 33.338 0.400 . 1 . . . A 1 MET CB . 34108 3 13 . 1 1 1 1 MET CG C 13 31.910 0.400 . 1 . . . A 1 MET CG . 34108 3 14 . 1 1 1 1 MET CE C 13 16.841 0.400 . 1 . . . A 1 MET CE . 34108 3 15 . 1 1 1 1 MET N N 15 128.198 0.400 . 1 . . . A 1 MET N . 34108 3 16 . 1 1 2 2 ASN H H 1 8.665 0.020 . 1 . . . A 2 ASN H . 34108 3 17 . 1 1 2 2 ASN HA H 1 4.736 0.020 . 1 . . . A 2 ASN HA . 34108 3 18 . 1 1 2 2 ASN HB2 H 1 2.909 0.020 . 2 . . . A 2 ASN HB2 . 34108 3 19 . 1 1 2 2 ASN HB3 H 1 2.806 0.020 . 2 . . . A 2 ASN HB3 . 34108 3 20 . 1 1 2 2 ASN C C 13 175.318 0.400 . 1 . . . A 2 ASN C . 34108 3 21 . 1 1 2 2 ASN CA C 13 52.973 0.400 . 1 . . . A 2 ASN CA . 34108 3 22 . 1 1 2 2 ASN CB C 13 38.263 0.400 . 1 . . . A 2 ASN CB . 34108 3 23 . 1 1 2 2 ASN N N 15 120.085 0.400 . 1 . . . A 2 ASN N . 34108 3 24 . 1 1 3 3 ILE H H 1 8.349 0.020 . 1 . . . A 3 ILE H . 34108 3 25 . 1 1 3 3 ILE HA H 1 4.162 0.020 . 1 . . . A 3 ILE HA . 34108 3 26 . 1 1 3 3 ILE HB H 1 1.960 0.020 . 1 . . . A 3 ILE HB . 34108 3 27 . 1 1 3 3 ILE HG12 H 1 1.540 0.020 . 2 . . . A 3 ILE HG12 . 34108 3 28 . 1 1 3 3 ILE HG13 H 1 1.255 0.020 . 2 . . . A 3 ILE HG13 . 34108 3 29 . 1 1 3 3 ILE HG21 H 1 0.963 0.020 . 1 . . . A 3 ILE HG21 . 34108 3 30 . 1 1 3 3 ILE HG22 H 1 0.963 0.020 . 1 . . . A 3 ILE HG22 . 34108 3 31 . 1 1 3 3 ILE HG23 H 1 0.963 0.020 . 1 . . . A 3 ILE HG23 . 34108 3 32 . 1 1 3 3 ILE HD11 H 1 0.905 0.020 . 1 . . . A 3 ILE HD11 . 34108 3 33 . 1 1 3 3 ILE HD12 H 1 0.905 0.020 . 1 . . . A 3 ILE HD12 . 34108 3 34 . 1 1 3 3 ILE HD13 H 1 0.905 0.020 . 1 . . . A 3 ILE HD13 . 34108 3 35 . 1 1 3 3 ILE C C 13 176.143 0.400 . 1 . . . A 3 ILE C . 34108 3 36 . 1 1 3 3 ILE CA C 13 62.058 0.400 . 1 . . . A 3 ILE CA . 34108 3 37 . 1 1 3 3 ILE CB C 13 38.260 0.400 . 1 . . . A 3 ILE CB . 34108 3 38 . 1 1 3 3 ILE CG1 C 13 27.593 0.400 . 1 . . . A 3 ILE CG1 . 34108 3 39 . 1 1 3 3 ILE CG2 C 13 17.655 0.400 . 1 . . . A 3 ILE CG2 . 34108 3 40 . 1 1 3 3 ILE CD1 C 13 13.115 0.400 . 1 . . . A 3 ILE CD1 . 34108 3 41 . 1 1 3 3 ILE N N 15 120.668 0.400 . 1 . . . A 3 ILE N . 34108 3 42 . 1 1 4 4 THR H H 1 8.086 0.020 . 1 . . . A 4 THR H . 34108 3 43 . 1 1 4 4 THR HA H 1 4.243 0.020 . 1 . . . A 4 THR HA . 34108 3 44 . 1 1 4 4 THR HB H 1 4.326 0.020 . 1 . . . A 4 THR HB . 34108 3 45 . 1 1 4 4 THR HG21 H 1 1.264 0.020 . 1 . . . A 4 THR HG21 . 34108 3 46 . 1 1 4 4 THR HG22 H 1 1.264 0.020 . 1 . . . A 4 THR HG22 . 34108 3 47 . 1 1 4 4 THR HG23 H 1 1.264 0.020 . 1 . . . A 4 THR HG23 . 34108 3 48 . 1 1 4 4 THR C C 13 175.235 0.400 . 1 . . . A 4 THR C . 34108 3 49 . 1 1 4 4 THR CA C 13 62.759 0.400 . 1 . . . A 4 THR CA . 34108 3 50 . 1 1 4 4 THR CB C 13 69.082 0.400 . 1 . . . A 4 THR CB . 34108 3 51 . 1 1 4 4 THR CG2 C 13 21.713 0.400 . 1 . . . A 4 THR CG2 . 34108 3 52 . 1 1 4 4 THR N N 15 113.278 0.400 . 1 . . . A 4 THR N . 34108 3 53 . 1 1 5 5 SER H H 1 8.033 0.020 . 1 . . . A 5 SER H . 34108 3 54 . 1 1 5 5 SER HA H 1 4.360 0.020 . 1 . . . A 5 SER HA . 34108 3 55 . 1 1 5 5 SER HB2 H 1 3.963 0.020 . 2 . . . A 5 SER HB2 . 34108 3 56 . 1 1 5 5 SER HB3 H 1 3.900 0.020 . 2 . . . A 5 SER HB3 . 34108 3 57 . 1 1 5 5 SER C C 13 174.662 0.400 . 1 . . . A 5 SER C . 34108 3 58 . 1 1 5 5 SER CA C 13 59.396 0.400 . 1 . . . A 5 SER CA . 34108 3 59 . 1 1 5 5 SER CB C 13 63.287 0.400 . 1 . . . A 5 SER CB . 34108 3 60 . 1 1 5 5 SER N N 15 116.252 0.400 . 1 . . . A 5 SER N . 34108 3 61 . 1 1 6 6 GLN H H 1 8.094 0.020 . 1 . . . A 6 GLN H . 34108 3 62 . 1 1 6 6 GLN HA H 1 4.307 0.020 . 1 . . . A 6 GLN HA . 34108 3 63 . 1 1 6 6 GLN HB2 H 1 2.226 0.020 . 2 . . . A 6 GLN HB2 . 34108 3 64 . 1 1 6 6 GLN HB3 H 1 2.012 0.020 . 2 . . . A 6 GLN HB3 . 34108 3 65 . 1 1 6 6 GLN HG2 H 1 2.391 0.020 . 2 . . . A 6 GLN HG2 . 34108 3 66 . 1 1 6 6 GLN HG3 H 1 2.391 0.020 . 2 . . . A 6 GLN HG3 . 34108 3 67 . 1 1 6 6 GLN C C 13 175.895 0.400 . 1 . . . A 6 GLN C . 34108 3 68 . 1 1 6 6 GLN CA C 13 55.725 0.400 . 1 . . . A 6 GLN CA . 34108 3 69 . 1 1 6 6 GLN CB C 13 29.003 0.400 . 1 . . . A 6 GLN CB . 34108 3 70 . 1 1 6 6 GLN CG C 13 33.630 0.400 . 1 . . . A 6 GLN CG . 34108 3 71 . 1 1 6 6 GLN N N 15 119.954 0.400 . 1 . . . A 6 GLN N . 34108 3 72 . 1 1 7 7 MET H H 1 7.923 0.020 . 1 . . . A 7 MET H . 34108 3 73 . 1 1 7 7 MET HA H 1 4.319 0.020 . 1 . . . A 7 MET HA . 34108 3 74 . 1 1 7 7 MET HB2 H 1 2.011 0.020 . 2 . . . A 7 MET HB2 . 34108 3 75 . 1 1 7 7 MET HB3 H 1 2.118 0.020 . 2 . . . A 7 MET HB3 . 34108 3 76 . 1 1 7 7 MET HG2 H 1 2.615 0.020 . 2 . . . A 7 MET HG2 . 34108 3 77 . 1 1 7 7 MET HG3 H 1 2.547 0.020 . 2 . . . A 7 MET HG3 . 34108 3 78 . 1 1 7 7 MET HE1 H 1 2.070 0.020 . 1 . . . A 7 MET HE1 . 34108 3 79 . 1 1 7 7 MET HE2 H 1 2.070 0.020 . 1 . . . A 7 MET HE2 . 34108 3 80 . 1 1 7 7 MET HE3 H 1 2.070 0.020 . 1 . . . A 7 MET HE3 . 34108 3 81 . 1 1 7 7 MET C C 13 174.905 0.400 . 1 . . . A 7 MET C . 34108 3 82 . 1 1 7 7 MET CA C 13 55.791 0.400 . 1 . . . A 7 MET CA . 34108 3 83 . 1 1 7 7 MET CB C 13 33.029 0.400 . 1 . . . A 7 MET CB . 34108 3 84 . 1 1 7 7 MET CG C 13 32.196 0.400 . 1 . . . A 7 MET CG . 34108 3 85 . 1 1 7 7 MET CE C 13 17.113 0.400 . 1 . . . A 7 MET CE . 34108 3 86 . 1 1 7 7 MET N N 15 118.874 0.400 . 1 . . . A 7 MET N . 34108 3 87 . 1 1 8 8 ASN H H 1 7.848 0.020 . 1 . . . A 8 ASN H . 34108 3 88 . 1 1 8 8 ASN HA H 1 4.609 0.020 . 1 . . . A 8 ASN HA . 34108 3 89 . 1 1 8 8 ASN HB2 H 1 2.914 0.020 . 2 . . . A 8 ASN HB2 . 34108 3 90 . 1 1 8 8 ASN HB3 H 1 2.798 0.020 . 2 . . . A 8 ASN HB3 . 34108 3 91 . 1 1 8 8 ASN C C 13 175.565 0.400 . 1 . . . A 8 ASN C . 34108 3 92 . 1 1 8 8 ASN CA C 13 53.182 0.400 . 1 . . . A 8 ASN CA . 34108 3 93 . 1 1 8 8 ASN CB C 13 38.698 0.400 . 1 . . . A 8 ASN CB . 34108 3 94 . 1 1 8 8 ASN N N 15 118.441 0.400 . 1 . . . A 8 ASN N . 34108 3 95 . 1 1 9 9 LYS H H 1 8.682 0.020 . 1 . . . A 9 LYS H . 34108 3 96 . 1 1 9 9 LYS HA H 1 3.960 0.020 . 1 . . . A 9 LYS HA . 34108 3 97 . 1 1 9 9 LYS HB2 H 1 1.865 0.020 . 2 . . . A 9 LYS HB2 . 34108 3 98 . 1 1 9 9 LYS HB3 H 1 1.980 0.020 . 2 . . . A 9 LYS HB3 . 34108 3 99 . 1 1 9 9 LYS HG2 H 1 1.451 0.020 . 2 . . . A 9 LYS HG2 . 34108 3 100 . 1 1 9 9 LYS HG3 H 1 1.706 0.020 . 2 . . . A 9 LYS HG3 . 34108 3 101 . 1 1 9 9 LYS HD2 H 1 1.766 0.020 . 2 . . . A 9 LYS HD2 . 34108 3 102 . 1 1 9 9 LYS HD3 H 1 1.766 0.020 . 2 . . . A 9 LYS HD3 . 34108 3 103 . 1 1 9 9 LYS HE2 H 1 3.013 0.020 . 2 . . . A 9 LYS HE2 . 34108 3 104 . 1 1 9 9 LYS HE3 H 1 3.013 0.020 . 2 . . . A 9 LYS HE3 . 34108 3 105 . 1 1 9 9 LYS C C 13 177.150 0.400 . 1 . . . A 9 LYS C . 34108 3 106 . 1 1 9 9 LYS CA C 13 59.664 0.400 . 1 . . . A 9 LYS CA . 34108 3 107 . 1 1 9 9 LYS CB C 13 32.455 0.400 . 1 . . . A 9 LYS CB . 34108 3 108 . 1 1 9 9 LYS CG C 13 25.510 0.400 . 1 . . . A 9 LYS CG . 34108 3 109 . 1 1 9 9 LYS CD C 13 29.307 0.400 . 1 . . . A 9 LYS CD . 34108 3 110 . 1 1 9 9 LYS CE C 13 41.573 0.400 . 1 . . . A 9 LYS CE . 34108 3 111 . 1 1 9 9 LYS N N 15 120.492 0.400 . 1 . . . A 9 LYS N . 34108 3 112 . 1 1 10 10 THR H H 1 8.043 0.020 . 1 . . . A 10 THR H . 34108 3 113 . 1 1 10 10 THR HA H 1 3.976 0.020 . 1 . . . A 10 THR HA . 34108 3 114 . 1 1 10 10 THR HB H 1 4.246 0.020 . 1 . . . A 10 THR HB . 34108 3 115 . 1 1 10 10 THR HG1 H 1 4.587 0.020 . 1 . . . A 10 THR HG1 . 34108 3 116 . 1 1 10 10 THR HG21 H 1 1.201 0.020 . 1 . . . A 10 THR HG21 . 34108 3 117 . 1 1 10 10 THR HG22 H 1 1.201 0.020 . 1 . . . A 10 THR HG22 . 34108 3 118 . 1 1 10 10 THR HG23 H 1 1.201 0.020 . 1 . . . A 10 THR HG23 . 34108 3 119 . 1 1 10 10 THR C C 13 175.367 0.400 . 1 . . . A 10 THR C . 34108 3 120 . 1 1 10 10 THR CA C 13 66.361 0.400 . 1 . . . A 10 THR CA . 34108 3 121 . 1 1 10 10 THR CB C 13 67.982 0.400 . 1 . . . A 10 THR CB . 34108 3 122 . 1 1 10 10 THR CG2 C 13 21.778 0.400 . 1 . . . A 10 THR CG2 . 34108 3 123 . 1 1 10 10 THR N N 15 115.900 0.400 . 1 . . . A 10 THR N . 34108 3 124 . 1 1 11 11 ILE H H 1 8.120 0.020 . 1 . . . A 11 ILE H . 34108 3 125 . 1 1 11 11 ILE HA H 1 3.779 0.020 . 1 . . . A 11 ILE HA . 34108 3 126 . 1 1 11 11 ILE HB H 1 1.972 0.020 . 1 . . . A 11 ILE HB . 34108 3 127 . 1 1 11 11 ILE HG12 H 1 1.716 0.020 . 2 . . . A 11 ILE HG12 . 34108 3 128 . 1 1 11 11 ILE HG13 H 1 1.214 0.020 . 2 . . . A 11 ILE HG13 . 34108 3 129 . 1 1 11 11 ILE HG21 H 1 0.965 0.020 . 1 . . . A 11 ILE HG21 . 34108 3 130 . 1 1 11 11 ILE HG22 H 1 0.965 0.020 . 1 . . . A 11 ILE HG22 . 34108 3 131 . 1 1 11 11 ILE HG23 H 1 0.965 0.020 . 1 . . . A 11 ILE HG23 . 34108 3 132 . 1 1 11 11 ILE HD11 H 1 0.939 0.020 . 1 . . . A 11 ILE HD11 . 34108 3 133 . 1 1 11 11 ILE HD12 H 1 0.939 0.020 . 1 . . . A 11 ILE HD12 . 34108 3 134 . 1 1 11 11 ILE HD13 H 1 0.939 0.020 . 1 . . . A 11 ILE HD13 . 34108 3 135 . 1 1 11 11 ILE C C 13 178.264 0.400 . 1 . . . A 11 ILE C . 34108 3 136 . 1 1 11 11 ILE CA C 13 63.948 0.400 . 1 . . . A 11 ILE CA . 34108 3 137 . 1 1 11 11 ILE CB C 13 37.536 0.400 . 1 . . . A 11 ILE CB . 34108 3 138 . 1 1 11 11 ILE CG1 C 13 28.849 0.400 . 1 . . . A 11 ILE CG1 . 34108 3 139 . 1 1 11 11 ILE CG2 C 13 17.416 0.400 . 1 . . . A 11 ILE CG2 . 34108 3 140 . 1 1 11 11 ILE CD1 C 13 12.622 0.400 . 1 . . . A 11 ILE CD1 . 34108 3 141 . 1 1 11 11 ILE N N 15 120.211 0.400 . 1 . . . A 11 ILE N . 34108 3 142 . 1 1 12 12 ILE H H 1 8.160 0.020 . 1 . . . A 12 ILE H . 34108 3 143 . 1 1 12 12 ILE HA H 1 3.680 0.020 . 1 . . . A 12 ILE HA . 34108 3 144 . 1 1 12 12 ILE HB H 1 1.970 0.020 . 1 . . . A 12 ILE HB . 34108 3 145 . 1 1 12 12 ILE HG12 H 1 1.778 0.020 . 2 . . . A 12 ILE HG12 . 34108 3 146 . 1 1 12 12 ILE HG13 H 1 1.131 0.020 . 2 . . . A 12 ILE HG13 . 34108 3 147 . 1 1 12 12 ILE HG21 H 1 0.918 0.020 . 1 . . . A 12 ILE HG21 . 34108 3 148 . 1 1 12 12 ILE HG22 H 1 0.918 0.020 . 1 . . . A 12 ILE HG22 . 34108 3 149 . 1 1 12 12 ILE HG23 H 1 0.918 0.020 . 1 . . . A 12 ILE HG23 . 34108 3 150 . 1 1 12 12 ILE HD11 H 1 0.865 0.020 . 1 . . . A 12 ILE HD11 . 34108 3 151 . 1 1 12 12 ILE HD12 H 1 0.865 0.020 . 1 . . . A 12 ILE HD12 . 34108 3 152 . 1 1 12 12 ILE HD13 H 1 0.865 0.020 . 1 . . . A 12 ILE HD13 . 34108 3 153 . 1 1 12 12 ILE C C 13 176.992 0.400 . 1 . . . A 12 ILE C . 34108 3 154 . 1 1 12 12 ILE CA C 13 64.895 0.400 . 1 . . . A 12 ILE CA . 34108 3 155 . 1 1 12 12 ILE CB C 13 37.243 0.400 . 1 . . . A 12 ILE CB . 34108 3 156 . 1 1 12 12 ILE CG1 C 13 28.802 0.400 . 1 . . . A 12 ILE CG1 . 34108 3 157 . 1 1 12 12 ILE CG2 C 13 17.337 0.400 . 1 . . . A 12 ILE CG2 . 34108 3 158 . 1 1 12 12 ILE CD1 C 13 12.814 0.400 . 1 . . . A 12 ILE CD1 . 34108 3 159 . 1 1 12 12 ILE N N 15 121.477 0.400 . 1 . . . A 12 ILE N . 34108 3 160 . 1 1 13 13 GLY H H 1 8.491 0.020 . 1 . . . A 13 GLY H . 34108 3 161 . 1 1 13 13 GLY HA3 H 1 3.697 0.020 . 2 . . . A 13 GLY HA3 . 34108 3 162 . 1 1 13 13 GLY C C 13 174.277 0.400 . 1 . . . A 13 GLY C . 34108 3 163 . 1 1 13 13 GLY CA C 13 47.578 0.400 . 1 . . . A 13 GLY CA . 34108 3 164 . 1 1 13 13 GLY N N 15 106.791 0.400 . 1 . . . A 13 GLY N . 34108 3 165 . 1 1 14 14 VAL H H 1 8.598 0.020 . 1 . . . A 14 VAL H . 34108 3 166 . 1 1 14 14 VAL HA H 1 3.748 0.020 . 1 . . . A 14 VAL HA . 34108 3 167 . 1 1 14 14 VAL HB H 1 2.156 0.020 . 1 . . . A 14 VAL HB . 34108 3 168 . 1 1 14 14 VAL HG11 H 1 0.984 0.020 . 2 . . . A 14 VAL HG11 . 34108 3 169 . 1 1 14 14 VAL HG12 H 1 0.984 0.020 . 2 . . . A 14 VAL HG12 . 34108 3 170 . 1 1 14 14 VAL HG13 H 1 0.984 0.020 . 2 . . . A 14 VAL HG13 . 34108 3 171 . 1 1 14 14 VAL HG21 H 1 1.101 0.020 . 2 . . . A 14 VAL HG21 . 34108 3 172 . 1 1 14 14 VAL HG22 H 1 1.101 0.020 . 2 . . . A 14 VAL HG22 . 34108 3 173 . 1 1 14 14 VAL HG23 H 1 1.101 0.020 . 2 . . . A 14 VAL HG23 . 34108 3 174 . 1 1 14 14 VAL C C 13 178.042 0.400 . 1 . . . A 14 VAL C . 34108 3 175 . 1 1 14 14 VAL CA C 13 65.930 0.400 . 1 . . . A 14 VAL CA . 34108 3 176 . 1 1 14 14 VAL CB C 13 31.483 0.400 . 1 . . . A 14 VAL CB . 34108 3 177 . 1 1 14 14 VAL CG1 C 13 21.449 0.400 . 2 . . . A 14 VAL CG1 . 34108 3 178 . 1 1 14 14 VAL CG2 C 13 22.814 0.400 . 2 . . . A 14 VAL CG2 . 34108 3 179 . 1 1 14 14 VAL N N 15 118.899 0.400 . 1 . . . A 14 VAL N . 34108 3 180 . 1 1 15 15 SER H H 1 8.284 0.020 . 1 . . . A 15 SER H . 34108 3 181 . 1 1 15 15 SER HA H 1 4.098 0.020 . 1 . . . A 15 SER HA . 34108 3 182 . 1 1 15 15 SER HB2 H 1 3.646 0.020 . 2 . . . A 15 SER HB2 . 34108 3 183 . 1 1 15 15 SER C C 13 174.905 0.400 . 1 . . . A 15 SER C . 34108 3 184 . 1 1 15 15 SER CA C 13 63.155 0.400 . 1 . . . A 15 SER CA . 34108 3 185 . 1 1 15 15 SER CB C 13 62.533 0.400 . 1 . . . A 15 SER CB . 34108 3 186 . 1 1 15 15 SER N N 15 119.696 0.400 . 1 . . . A 15 SER N . 34108 3 187 . 1 1 16 16 VAL H H 1 8.334 0.020 . 1 . . . A 16 VAL H . 34108 3 188 . 1 1 16 16 VAL HA H 1 3.545 0.020 . 1 . . . A 16 VAL HA . 34108 3 189 . 1 1 16 16 VAL HB H 1 2.111 0.020 . 1 . . . A 16 VAL HB . 34108 3 190 . 1 1 16 16 VAL HG11 H 1 0.907 0.020 . 2 . . . A 16 VAL HG11 . 34108 3 191 . 1 1 16 16 VAL HG12 H 1 0.907 0.020 . 2 . . . A 16 VAL HG12 . 34108 3 192 . 1 1 16 16 VAL HG13 H 1 0.907 0.020 . 2 . . . A 16 VAL HG13 . 34108 3 193 . 1 1 16 16 VAL HG21 H 1 1.057 0.020 . 2 . . . A 16 VAL HG21 . 34108 3 194 . 1 1 16 16 VAL HG22 H 1 1.057 0.020 . 2 . . . A 16 VAL HG22 . 34108 3 195 . 1 1 16 16 VAL HG23 H 1 1.057 0.020 . 2 . . . A 16 VAL HG23 . 34108 3 196 . 1 1 16 16 VAL C C 13 176.935 0.400 . 1 . . . A 16 VAL C . 34108 3 197 . 1 1 16 16 VAL CA C 13 66.666 0.400 . 1 . . . A 16 VAL CA . 34108 3 198 . 1 1 16 16 VAL CB C 13 31.106 0.400 . 1 . . . A 16 VAL CB . 34108 3 199 . 1 1 16 16 VAL CG1 C 13 21.048 0.400 . 2 . . . A 16 VAL CG1 . 34108 3 200 . 1 1 16 16 VAL CG2 C 13 22.866 0.400 . 2 . . . A 16 VAL CG2 . 34108 3 201 . 1 1 16 16 VAL N N 15 121.210 0.400 . 1 . . . A 16 VAL N . 34108 3 202 . 1 1 17 17 LEU H H 1 8.137 0.020 . 1 . . . A 17 LEU H . 34108 3 203 . 1 1 17 17 LEU HA H 1 3.976 0.020 . 1 . . . A 17 LEU HA . 34108 3 204 . 1 1 17 17 LEU HB2 H 1 1.721 0.020 . 2 . . . A 17 LEU HB2 . 34108 3 205 . 1 1 17 17 LEU HB3 H 1 1.653 0.020 . 2 . . . A 17 LEU HB3 . 34108 3 206 . 1 1 17 17 LEU HG H 1 1.755 0.020 . 1 . . . A 17 LEU HG . 34108 3 207 . 1 1 17 17 LEU HD11 H 1 0.897 0.020 . 2 . . . A 17 LEU HD11 . 34108 3 208 . 1 1 17 17 LEU HD12 H 1 0.897 0.020 . 2 . . . A 17 LEU HD12 . 34108 3 209 . 1 1 17 17 LEU HD13 H 1 0.897 0.020 . 2 . . . A 17 LEU HD13 . 34108 3 210 . 1 1 17 17 LEU HD21 H 1 0.875 0.020 . 2 . . . A 17 LEU HD21 . 34108 3 211 . 1 1 17 17 LEU HD22 H 1 0.875 0.020 . 2 . . . A 17 LEU HD22 . 34108 3 212 . 1 1 17 17 LEU HD23 H 1 0.875 0.020 . 2 . . . A 17 LEU HD23 . 34108 3 213 . 1 1 17 17 LEU C C 13 177.888 0.400 . 1 . . . A 17 LEU C . 34108 3 214 . 1 1 17 17 LEU CA C 13 57.950 0.400 . 1 . . . A 17 LEU CA . 34108 3 215 . 1 1 17 17 LEU CB C 13 41.514 0.400 . 1 . . . A 17 LEU CB . 34108 3 216 . 1 1 17 17 LEU CG C 13 26.718 0.400 . 1 . . . A 17 LEU CG . 34108 3 217 . 1 1 17 17 LEU CD1 C 13 23.998 0.400 . 2 . . . A 17 LEU CD1 . 34108 3 218 . 1 1 17 17 LEU CD2 C 13 24.263 0.400 . 2 . . . A 17 LEU CD2 . 34108 3 219 . 1 1 17 17 LEU N N 15 118.118 0.400 . 1 . . . A 17 LEU N . 34108 3 220 . 1 1 18 18 SER H H 1 8.217 0.020 . 1 . . . A 18 SER H . 34108 3 221 . 1 1 18 18 SER HA H 1 3.998 0.020 . 1 . . . A 18 SER HA . 34108 3 222 . 1 1 18 18 SER HB2 H 1 3.639 0.020 . 2 . . . A 18 SER HB2 . 34108 3 223 . 1 1 18 18 SER HB3 H 1 3.602 0.020 . 2 . . . A 18 SER HB3 . 34108 3 224 . 1 1 18 18 SER C C 13 174.971 0.400 . 1 . . . A 18 SER C . 34108 3 225 . 1 1 18 18 SER CA C 13 63.479 0.400 . 1 . . . A 18 SER CA . 34108 3 226 . 1 1 18 18 SER CB C 13 62.638 0.400 . 1 . . . A 18 SER CB . 34108 3 227 . 1 1 18 18 SER N N 15 114.345 0.400 . 1 . . . A 18 SER N . 34108 3 228 . 1 1 19 19 VAL H H 1 7.805 0.020 . 1 . . . A 19 VAL H . 34108 3 229 . 1 1 19 19 VAL HA H 1 3.519 0.020 . 1 . . . A 19 VAL HA . 34108 3 230 . 1 1 19 19 VAL HB H 1 2.172 0.020 . 1 . . . A 19 VAL HB . 34108 3 231 . 1 1 19 19 VAL HG11 H 1 0.845 0.020 . 2 . . . A 19 VAL HG11 . 34108 3 232 . 1 1 19 19 VAL HG12 H 1 0.845 0.020 . 2 . . . A 19 VAL HG12 . 34108 3 233 . 1 1 19 19 VAL HG13 H 1 0.845 0.020 . 2 . . . A 19 VAL HG13 . 34108 3 234 . 1 1 19 19 VAL HG21 H 1 1.021 0.020 . 2 . . . A 19 VAL HG21 . 34108 3 235 . 1 1 19 19 VAL HG22 H 1 1.021 0.020 . 2 . . . A 19 VAL HG22 . 34108 3 236 . 1 1 19 19 VAL HG23 H 1 1.021 0.020 . 2 . . . A 19 VAL HG23 . 34108 3 237 . 1 1 19 19 VAL C C 13 178.284 0.400 . 1 . . . A 19 VAL C . 34108 3 238 . 1 1 19 19 VAL CA C 13 66.400 0.400 . 1 . . . A 19 VAL CA . 34108 3 239 . 1 1 19 19 VAL CB C 13 30.974 0.400 . 1 . . . A 19 VAL CB . 34108 3 240 . 1 1 19 19 VAL CG1 C 13 20.926 0.400 . 2 . . . A 19 VAL CG1 . 34108 3 241 . 1 1 19 19 VAL CG2 C 13 22.792 0.400 . 2 . . . A 19 VAL CG2 . 34108 3 242 . 1 1 19 19 VAL N N 15 120.511 0.400 . 1 . . . A 19 VAL N . 34108 3 243 . 1 1 20 20 LEU H H 1 8.225 0.020 . 1 . . . A 20 LEU H . 34108 3 244 . 1 1 20 20 LEU HA H 1 3.986 0.020 . 1 . . . A 20 LEU HA . 34108 3 245 . 1 1 20 20 LEU HB2 H 1 1.883 0.020 . 2 . . . A 20 LEU HB2 . 34108 3 246 . 1 1 20 20 LEU HB3 H 1 1.674 0.020 . 2 . . . A 20 LEU HB3 . 34108 3 247 . 1 1 20 20 LEU HG H 1 1.783 0.020 . 1 . . . A 20 LEU HG . 34108 3 248 . 1 1 20 20 LEU HD11 H 1 0.828 0.020 . 2 . . . A 20 LEU HD11 . 34108 3 249 . 1 1 20 20 LEU HD12 H 1 0.828 0.020 . 2 . . . A 20 LEU HD12 . 34108 3 250 . 1 1 20 20 LEU HD13 H 1 0.828 0.020 . 2 . . . A 20 LEU HD13 . 34108 3 251 . 1 1 20 20 LEU HD21 H 1 0.797 0.020 . 2 . . . A 20 LEU HD21 . 34108 3 252 . 1 1 20 20 LEU HD22 H 1 0.797 0.020 . 2 . . . A 20 LEU HD22 . 34108 3 253 . 1 1 20 20 LEU HD23 H 1 0.797 0.020 . 2 . . . A 20 LEU HD23 . 34108 3 254 . 1 1 20 20 LEU C C 13 177.594 0.400 . 1 . . . A 20 LEU C . 34108 3 255 . 1 1 20 20 LEU CA C 13 58.374 0.400 . 1 . . . A 20 LEU CA . 34108 3 256 . 1 1 20 20 LEU CB C 13 41.340 0.400 . 1 . . . A 20 LEU CB . 34108 3 257 . 1 1 20 20 LEU CG C 13 26.524 0.400 . 1 . . . A 20 LEU CG . 34108 3 258 . 1 1 20 20 LEU CD1 C 13 24.453 0.400 . 2 . . . A 20 LEU CD1 . 34108 3 259 . 1 1 20 20 LEU CD2 C 13 23.332 0.400 . 2 . . . A 20 LEU CD2 . 34108 3 260 . 1 1 20 20 LEU N N 15 121.958 0.400 . 1 . . . A 20 LEU N . 34108 3 261 . 1 1 21 21 VAL H H 1 8.456 0.020 . 1 . . . A 21 VAL H . 34108 3 262 . 1 1 21 21 VAL HA H 1 3.462 0.020 . 1 . . . A 21 VAL HA . 34108 3 263 . 1 1 21 21 VAL HB H 1 2.162 0.020 . 1 . . . A 21 VAL HB . 34108 3 264 . 1 1 21 21 VAL HG11 H 1 0.844 0.020 . 2 . . . A 21 VAL HG11 . 34108 3 265 . 1 1 21 21 VAL HG12 H 1 0.844 0.020 . 2 . . . A 21 VAL HG12 . 34108 3 266 . 1 1 21 21 VAL HG13 H 1 0.844 0.020 . 2 . . . A 21 VAL HG13 . 34108 3 267 . 1 1 21 21 VAL HG21 H 1 1.018 0.020 . 2 . . . A 21 VAL HG21 . 34108 3 268 . 1 1 21 21 VAL HG22 H 1 1.018 0.020 . 2 . . . A 21 VAL HG22 . 34108 3 269 . 1 1 21 21 VAL HG23 H 1 1.018 0.020 . 2 . . . A 21 VAL HG23 . 34108 3 270 . 1 1 21 21 VAL C C 13 177.061 0.400 . 1 . . . A 21 VAL C . 34108 3 271 . 1 1 21 21 VAL CA C 13 67.346 0.400 . 1 . . . A 21 VAL CA . 34108 3 272 . 1 1 21 21 VAL CB C 13 31.052 0.400 . 1 . . . A 21 VAL CB . 34108 3 273 . 1 1 21 21 VAL CG1 C 13 20.804 0.400 . 2 . . . A 21 VAL CG1 . 34108 3 274 . 1 1 21 21 VAL CG2 C 13 22.821 0.400 . 2 . . . A 21 VAL CG2 . 34108 3 275 . 1 1 21 21 VAL N N 15 117.695 0.400 . 1 . . . A 21 VAL N . 34108 3 276 . 1 1 22 22 VAL H H 1 8.249 0.020 . 1 . . . A 22 VAL H . 34108 3 277 . 1 1 22 22 VAL HA H 1 3.478 0.020 . 1 . . . A 22 VAL HA . 34108 3 278 . 1 1 22 22 VAL HB H 1 2.115 0.020 . 1 . . . A 22 VAL HB . 34108 3 279 . 1 1 22 22 VAL HG11 H 1 0.883 0.020 . 2 . . . A 22 VAL HG11 . 34108 3 280 . 1 1 22 22 VAL HG12 H 1 0.883 0.020 . 2 . . . A 22 VAL HG12 . 34108 3 281 . 1 1 22 22 VAL HG13 H 1 0.883 0.020 . 2 . . . A 22 VAL HG13 . 34108 3 282 . 1 1 22 22 VAL HG21 H 1 1.013 0.020 . 2 . . . A 22 VAL HG21 . 34108 3 283 . 1 1 22 22 VAL HG22 H 1 1.013 0.020 . 2 . . . A 22 VAL HG22 . 34108 3 284 . 1 1 22 22 VAL HG23 H 1 1.013 0.020 . 2 . . . A 22 VAL HG23 . 34108 3 285 . 1 1 22 22 VAL C C 13 176.812 0.400 . 1 . . . A 22 VAL C . 34108 3 286 . 1 1 22 22 VAL CA C 13 66.926 0.400 . 1 . . . A 22 VAL CA . 34108 3 287 . 1 1 22 22 VAL CB C 13 31.029 0.400 . 1 . . . A 22 VAL CB . 34108 3 288 . 1 1 22 22 VAL CG1 C 13 20.971 0.400 . 2 . . . A 22 VAL CG1 . 34108 3 289 . 1 1 22 22 VAL CG2 C 13 22.920 0.400 . 2 . . . A 22 VAL CG2 . 34108 3 290 . 1 1 22 22 VAL N N 15 117.233 0.400 . 1 . . . A 22 VAL N . 34108 3 291 . 1 1 23 23 SER H H 1 8.121 0.020 . 1 . . . A 23 SER H . 34108 3 292 . 1 1 23 23 SER HA H 1 4.019 0.020 . 1 . . . A 23 SER HA . 34108 3 293 . 1 1 23 23 SER HB2 H 1 3.602 0.020 . 2 . . . A 23 SER HB2 . 34108 3 294 . 1 1 23 23 SER C C 13 174.938 0.400 . 1 . . . A 23 SER C . 34108 3 295 . 1 1 23 23 SER CA C 13 63.476 0.400 . 1 . . . A 23 SER CA . 34108 3 296 . 1 1 23 23 SER CB C 13 62.733 0.400 . 1 . . . A 23 SER CB . 34108 3 297 . 1 1 23 23 SER N N 15 115.587 0.400 . 1 . . . A 23 SER N . 34108 3 298 . 1 1 24 24 VAL H H 1 8.076 0.020 . 1 . . . A 24 VAL H . 34108 3 299 . 1 1 24 24 VAL HA H 1 3.545 0.020 . 1 . . . A 24 VAL HA . 34108 3 300 . 1 1 24 24 VAL HB H 1 2.255 0.020 . 1 . . . A 24 VAL HB . 34108 3 301 . 1 1 24 24 VAL HG11 H 1 0.897 0.020 . 2 . . . A 24 VAL HG11 . 34108 3 302 . 1 1 24 24 VAL HG12 H 1 0.897 0.020 . 2 . . . A 24 VAL HG12 . 34108 3 303 . 1 1 24 24 VAL HG13 H 1 0.897 0.020 . 2 . . . A 24 VAL HG13 . 34108 3 304 . 1 1 24 24 VAL HG21 H 1 1.042 0.020 . 2 . . . A 24 VAL HG21 . 34108 3 305 . 1 1 24 24 VAL HG22 H 1 1.042 0.020 . 2 . . . A 24 VAL HG22 . 34108 3 306 . 1 1 24 24 VAL HG23 H 1 1.042 0.020 . 2 . . . A 24 VAL HG23 . 34108 3 307 . 1 1 24 24 VAL C C 13 177.332 0.400 . 1 . . . A 24 VAL C . 34108 3 308 . 1 1 24 24 VAL CA C 13 66.785 0.400 . 1 . . . A 24 VAL CA . 34108 3 309 . 1 1 24 24 VAL CB C 13 31.097 0.400 . 1 . . . A 24 VAL CB . 34108 3 310 . 1 1 24 24 VAL CG1 C 13 20.964 0.400 . 2 . . . A 24 VAL CG1 . 34108 3 311 . 1 1 24 24 VAL CG2 C 13 22.975 0.400 . 2 . . . A 24 VAL CG2 . 34108 3 312 . 1 1 24 24 VAL N N 15 120.750 0.400 . 1 . . . A 24 VAL N . 34108 3 313 . 1 1 25 25 VAL H H 1 8.229 0.020 . 1 . . . A 25 VAL H . 34108 3 314 . 1 1 25 25 VAL HA H 1 3.473 0.020 . 1 . . . A 25 VAL HA . 34108 3 315 . 1 1 25 25 VAL HB H 1 2.234 0.020 . 1 . . . A 25 VAL HB . 34108 3 316 . 1 1 25 25 VAL HG11 H 1 0.884 0.020 . 2 . . . A 25 VAL HG11 . 34108 3 317 . 1 1 25 25 VAL HG12 H 1 0.884 0.020 . 2 . . . A 25 VAL HG12 . 34108 3 318 . 1 1 25 25 VAL HG13 H 1 0.884 0.020 . 2 . . . A 25 VAL HG13 . 34108 3 319 . 1 1 25 25 VAL HG21 H 1 1.020 0.020 . 2 . . . A 25 VAL HG21 . 34108 3 320 . 1 1 25 25 VAL HG22 H 1 1.020 0.020 . 2 . . . A 25 VAL HG22 . 34108 3 321 . 1 1 25 25 VAL HG23 H 1 1.020 0.020 . 2 . . . A 25 VAL HG23 . 34108 3 322 . 1 1 25 25 VAL C C 13 176.863 0.400 . 1 . . . A 25 VAL C . 34108 3 323 . 1 1 25 25 VAL CA C 13 67.392 0.400 . 1 . . . A 25 VAL CA . 34108 3 324 . 1 1 25 25 VAL CB C 13 30.907 0.400 . 1 . . . A 25 VAL CB . 34108 3 325 . 1 1 25 25 VAL CG1 C 13 21.298 0.400 . 2 . . . A 25 VAL CG1 . 34108 3 326 . 1 1 25 25 VAL CG2 C 13 22.851 0.400 . 2 . . . A 25 VAL CG2 . 34108 3 327 . 1 1 25 25 VAL N N 15 118.771 0.400 . 1 . . . A 25 VAL N . 34108 3 328 . 1 1 26 26 ALA H H 1 8.739 0.020 . 1 . . . A 26 ALA H . 34108 3 329 . 1 1 26 26 ALA HA H 1 3.955 0.020 . 1 . . . A 26 ALA HA . 34108 3 330 . 1 1 26 26 ALA HB1 H 1 1.521 0.020 . 1 . . . A 26 ALA HB1 . 34108 3 331 . 1 1 26 26 ALA HB2 H 1 1.521 0.020 . 1 . . . A 26 ALA HB2 . 34108 3 332 . 1 1 26 26 ALA HB3 H 1 1.521 0.020 . 1 . . . A 26 ALA HB3 . 34108 3 333 . 1 1 26 26 ALA C C 13 178.770 0.400 . 1 . . . A 26 ALA C . 34108 3 334 . 1 1 26 26 ALA CA C 13 55.688 0.400 . 1 . . . A 26 ALA CA . 34108 3 335 . 1 1 26 26 ALA CB C 13 17.921 0.400 . 1 . . . A 26 ALA CB . 34108 3 336 . 1 1 26 26 ALA N N 15 120.680 0.400 . 1 . . . A 26 ALA N . 34108 3 337 . 1 1 27 27 VAL H H 1 8.129 0.020 . 1 . . . A 27 VAL H . 34108 3 338 . 1 1 27 27 VAL HA H 1 3.675 0.020 . 1 . . . A 27 VAL HA . 34108 3 339 . 1 1 27 27 VAL HB H 1 2.317 0.020 . 1 . . . A 27 VAL HB . 34108 3 340 . 1 1 27 27 VAL HG11 H 1 1.019 0.020 . 2 . . . A 27 VAL HG11 . 34108 3 341 . 1 1 27 27 VAL HG12 H 1 1.019 0.020 . 2 . . . A 27 VAL HG12 . 34108 3 342 . 1 1 27 27 VAL HG13 H 1 1.019 0.020 . 2 . . . A 27 VAL HG13 . 34108 3 343 . 1 1 27 27 VAL HG21 H 1 1.161 0.020 . 2 . . . A 27 VAL HG21 . 34108 3 344 . 1 1 27 27 VAL HG22 H 1 1.161 0.020 . 2 . . . A 27 VAL HG22 . 34108 3 345 . 1 1 27 27 VAL HG23 H 1 1.161 0.020 . 2 . . . A 27 VAL HG23 . 34108 3 346 . 1 1 27 27 VAL C C 13 177.547 0.400 . 1 . . . A 27 VAL C . 34108 3 347 . 1 1 27 27 VAL CA C 13 66.791 0.400 . 1 . . . A 27 VAL CA . 34108 3 348 . 1 1 27 27 VAL CB C 13 31.109 0.400 . 1 . . . A 27 VAL CB . 34108 3 349 . 1 1 27 27 VAL CG1 C 13 21.636 0.400 . 2 . . . A 27 VAL CG1 . 34108 3 350 . 1 1 27 27 VAL CG2 C 13 23.290 0.400 . 2 . . . A 27 VAL CG2 . 34108 3 351 . 1 1 27 27 VAL N N 15 116.133 0.400 . 1 . . . A 27 VAL N . 34108 3 352 . 1 1 28 28 LEU H H 1 8.330 0.020 . 1 . . . A 28 LEU H . 34108 3 353 . 1 1 28 28 LEU HA H 1 4.183 0.020 . 1 . . . A 28 LEU HA . 34108 3 354 . 1 1 28 28 LEU HB2 H 1 2.243 0.020 . 2 . . . A 28 LEU HB2 . 34108 3 355 . 1 1 28 28 LEU HB3 H 1 1.524 0.020 . 2 . . . A 28 LEU HB3 . 34108 3 356 . 1 1 28 28 LEU HG H 1 2.115 0.020 . 1 . . . A 28 LEU HG . 34108 3 357 . 1 1 28 28 LEU HD11 H 1 0.895 0.020 . 2 . . . A 28 LEU HD11 . 34108 3 358 . 1 1 28 28 LEU HD12 H 1 0.895 0.020 . 2 . . . A 28 LEU HD12 . 34108 3 359 . 1 1 28 28 LEU HD13 H 1 0.895 0.020 . 2 . . . A 28 LEU HD13 . 34108 3 360 . 1 1 28 28 LEU HD21 H 1 0.971 0.020 . 2 . . . A 28 LEU HD21 . 34108 3 361 . 1 1 28 28 LEU HD22 H 1 0.971 0.020 . 2 . . . A 28 LEU HD22 . 34108 3 362 . 1 1 28 28 LEU HD23 H 1 0.971 0.020 . 2 . . . A 28 LEU HD23 . 34108 3 363 . 1 1 28 28 LEU C C 13 178.822 0.400 . 1 . . . A 28 LEU C . 34108 3 364 . 1 1 28 28 LEU CA C 13 58.279 0.400 . 1 . . . A 28 LEU CA . 34108 3 365 . 1 1 28 28 LEU CB C 13 41.741 0.400 . 1 . . . A 28 LEU CB . 34108 3 366 . 1 1 28 28 LEU CG C 13 26.361 0.400 . 1 . . . A 28 LEU CG . 34108 3 367 . 1 1 28 28 LEU CD1 C 13 25.713 0.400 . 2 . . . A 28 LEU CD1 . 34108 3 368 . 1 1 28 28 LEU CD2 C 13 23.015 0.400 . 2 . . . A 28 LEU CD2 . 34108 3 369 . 1 1 28 28 LEU N N 15 119.783 0.400 . 1 . . . A 28 LEU N . 34108 3 370 . 1 1 29 29 VAL H H 1 8.862 0.020 . 1 . . . A 29 VAL H . 34108 3 371 . 1 1 29 29 VAL HA H 1 3.644 0.020 . 1 . . . A 29 VAL HA . 34108 3 372 . 1 1 29 29 VAL HB H 1 2.286 0.020 . 1 . . . A 29 VAL HB . 34108 3 373 . 1 1 29 29 VAL HG11 H 1 0.992 0.020 . 2 . . . A 29 VAL HG11 . 34108 3 374 . 1 1 29 29 VAL HG12 H 1 0.992 0.020 . 2 . . . A 29 VAL HG12 . 34108 3 375 . 1 1 29 29 VAL HG13 H 1 0.992 0.020 . 2 . . . A 29 VAL HG13 . 34108 3 376 . 1 1 29 29 VAL HG21 H 1 1.076 0.020 . 2 . . . A 29 VAL HG21 . 34108 3 377 . 1 1 29 29 VAL HG22 H 1 1.076 0.020 . 2 . . . A 29 VAL HG22 . 34108 3 378 . 1 1 29 29 VAL HG23 H 1 1.076 0.020 . 2 . . . A 29 VAL HG23 . 34108 3 379 . 1 1 29 29 VAL C C 13 176.622 0.400 . 1 . . . A 29 VAL C . 34108 3 380 . 1 1 29 29 VAL CA C 13 66.696 0.400 . 1 . . . A 29 VAL CA . 34108 3 381 . 1 1 29 29 VAL CB C 13 30.856 0.400 . 1 . . . A 29 VAL CB . 34108 3 382 . 1 1 29 29 VAL CG1 C 13 21.817 0.400 . 2 . . . A 29 VAL CG1 . 34108 3 383 . 1 1 29 29 VAL CG2 C 13 23.190 0.400 . 2 . . . A 29 VAL CG2 . 34108 3 384 . 1 1 29 29 VAL N N 15 118.982 0.400 . 1 . . . A 29 VAL N . 34108 3 385 . 1 1 30 30 TYR H H 1 8.416 0.020 . 1 . . . A 30 TYR H . 34108 3 386 . 1 1 30 30 TYR HA H 1 4.164 0.020 . 1 . . . A 30 TYR HA . 34108 3 387 . 1 1 30 30 TYR HB2 H 1 3.444 0.020 . 2 . . . A 30 TYR HB2 . 34108 3 388 . 1 1 30 30 TYR HB3 H 1 3.141 0.020 . 2 . . . A 30 TYR HB3 . 34108 3 389 . 1 1 30 30 TYR HD1 H 1 6.975 0.020 . 1 . . . A 30 TYR HD1 . 34108 3 390 . 1 1 30 30 TYR HD2 H 1 6.975 0.020 . 1 . . . A 30 TYR HD2 . 34108 3 391 . 1 1 30 30 TYR HE1 H 1 6.798 0.020 . 1 . . . A 30 TYR HE1 . 34108 3 392 . 1 1 30 30 TYR HE2 H 1 6.798 0.020 . 1 . . . A 30 TYR HE2 . 34108 3 393 . 1 1 30 30 TYR C C 13 177.177 0.400 . 1 . . . A 30 TYR C . 34108 3 394 . 1 1 30 30 TYR CA C 13 61.630 0.400 . 1 . . . A 30 TYR CA . 34108 3 395 . 1 1 30 30 TYR CB C 13 38.566 0.400 . 1 . . . A 30 TYR CB . 34108 3 396 . 1 1 30 30 TYR CD1 C 13 132.311 0.400 . 3 . . . A 30 TYR CD1 . 34108 3 397 . 1 1 30 30 TYR CE1 C 13 117.753 0.400 . 3 . . . A 30 TYR CE1 . 34108 3 398 . 1 1 30 30 TYR N N 15 118.203 0.400 . 1 . . . A 30 TYR N . 34108 3 399 . 1 1 31 31 LYS H H 1 8.618 0.020 . 1 . . . A 31 LYS H . 34108 3 400 . 1 1 31 31 LYS HA H 1 3.898 0.020 . 1 . . . A 31 LYS HA . 34108 3 401 . 1 1 31 31 LYS HB2 H 1 1.778 0.020 . 2 . . . A 31 LYS HB2 . 34108 3 402 . 1 1 31 31 LYS HB3 H 1 1.778 0.020 . 2 . . . A 31 LYS HB3 . 34108 3 403 . 1 1 31 31 LYS HG2 H 1 1.207 0.020 . 2 . . . A 31 LYS HG2 . 34108 3 404 . 1 1 31 31 LYS HG3 H 1 1.207 0.020 . 2 . . . A 31 LYS HG3 . 34108 3 405 . 1 1 31 31 LYS HD2 H 1 1.589 0.020 . 2 . . . A 31 LYS HD2 . 34108 3 406 . 1 1 31 31 LYS HD3 H 1 1.589 0.020 . 2 . . . A 31 LYS HD3 . 34108 3 407 . 1 1 31 31 LYS HE2 H 1 2.796 0.020 . 2 . . . A 31 LYS HE2 . 34108 3 408 . 1 1 31 31 LYS HE3 H 1 2.796 0.020 . 2 . . . A 31 LYS HE3 . 34108 3 409 . 1 1 31 31 LYS C C 13 178.389 0.400 . 1 . . . A 31 LYS C . 34108 3 410 . 1 1 31 31 LYS CA C 13 57.739 0.400 . 1 . . . A 31 LYS CA . 34108 3 411 . 1 1 31 31 LYS CB C 13 32.083 0.400 . 1 . . . A 31 LYS CB . 34108 3 412 . 1 1 31 31 LYS CG C 13 24.620 0.400 . 1 . . . A 31 LYS CG . 34108 3 413 . 1 1 31 31 LYS CD C 13 28.345 0.400 . 1 . . . A 31 LYS CD . 34108 3 414 . 1 1 31 31 LYS CE C 13 41.314 0.400 . 1 . . . A 31 LYS CE . 34108 3 415 . 1 1 31 31 LYS N N 15 115.532 0.400 . 1 . . . A 31 LYS N . 34108 3 416 . 1 1 32 32 PHE H H 1 8.413 0.020 . 1 . . . A 32 PHE H . 34108 3 417 . 1 1 32 32 PHE HA H 1 4.558 0.020 . 1 . . . A 32 PHE HA . 34108 3 418 . 1 1 32 32 PHE HB2 H 1 3.276 0.020 . 2 . . . A 32 PHE HB2 . 34108 3 419 . 1 1 32 32 PHE HB3 H 1 3.371 0.020 . 2 . . . A 32 PHE HB3 . 34108 3 420 . 1 1 32 32 PHE HD1 H 1 7.373 0.020 . 1 . . . A 32 PHE HD1 . 34108 3 421 . 1 1 32 32 PHE HD2 H 1 7.373 0.020 . 1 . . . A 32 PHE HD2 . 34108 3 422 . 1 1 32 32 PHE HE1 H 1 7.232 0.020 . 1 . . . A 32 PHE HE1 . 34108 3 423 . 1 1 32 32 PHE HE2 H 1 7.232 0.020 . 1 . . . A 32 PHE HE2 . 34108 3 424 . 1 1 32 32 PHE C C 13 175.829 0.400 . 1 . . . A 32 PHE C . 34108 3 425 . 1 1 32 32 PHE CA C 13 57.893 0.400 . 1 . . . A 32 PHE CA . 34108 3 426 . 1 1 32 32 PHE CB C 13 38.796 0.400 . 1 . . . A 32 PHE CB . 34108 3 427 . 1 1 32 32 PHE CD1 C 13 129.622 0.400 . 3 . . . A 32 PHE CD1 . 34108 3 428 . 1 1 32 32 PHE CE1 C 13 130.328 0.400 . 3 . . . A 32 PHE CE1 . 34108 3 429 . 1 1 32 32 PHE N N 15 115.517 0.400 . 1 . . . A 32 PHE N . 34108 3 430 . 1 1 33 33 TYR H H 1 7.851 0.020 . 1 . . . A 33 TYR H . 34108 3 431 . 1 1 33 33 TYR HA H 1 4.014 0.020 . 1 . . . A 33 TYR HA . 34108 3 432 . 1 1 33 33 TYR HB2 H 1 3.016 0.020 . 2 . . . A 33 TYR HB2 . 34108 3 433 . 1 1 33 33 TYR HB3 H 1 3.016 0.020 . 2 . . . A 33 TYR HB3 . 34108 3 434 . 1 1 33 33 TYR HD1 H 1 6.764 0.020 . 1 . . . A 33 TYR HD1 . 34108 3 435 . 1 1 33 33 TYR HD2 H 1 6.764 0.020 . 1 . . . A 33 TYR HD2 . 34108 3 436 . 1 1 33 33 TYR HE1 H 1 6.693 0.020 . 1 . . . A 33 TYR HE1 . 34108 3 437 . 1 1 33 33 TYR HE2 H 1 6.693 0.020 . 1 . . . A 33 TYR HE2 . 34108 3 438 . 1 1 33 33 TYR C C 13 176.118 0.400 . 1 . . . A 33 TYR C . 34108 3 439 . 1 1 33 33 TYR CA C 13 61.935 0.400 . 1 . . . A 33 TYR CA . 34108 3 440 . 1 1 33 33 TYR CB C 13 38.226 0.400 . 1 . . . A 33 TYR CB . 34108 3 441 . 1 1 33 33 TYR CD1 C 13 132.521 0.400 . 3 . . . A 33 TYR CD1 . 34108 3 442 . 1 1 33 33 TYR CE1 C 13 117.811 0.400 . 3 . . . A 33 TYR CE1 . 34108 3 443 . 1 1 33 33 TYR N N 15 121.534 0.400 . 1 . . . A 33 TYR N . 34108 3 444 . 1 1 34 34 PHE H H 1 8.191 0.020 . 1 . . . A 34 PHE H . 34108 3 445 . 1 1 34 34 PHE HA H 1 3.918 0.020 . 1 . . . A 34 PHE HA . 34108 3 446 . 1 1 34 34 PHE HB2 H 1 2.958 0.020 . 2 . . . A 34 PHE HB2 . 34108 3 447 . 1 1 34 34 PHE HB3 H 1 2.884 0.020 . 2 . . . A 34 PHE HB3 . 34108 3 448 . 1 1 34 34 PHE HD1 H 1 7.143 0.020 . 1 . . . A 34 PHE HD1 . 34108 3 449 . 1 1 34 34 PHE HD2 H 1 7.143 0.020 . 1 . . . A 34 PHE HD2 . 34108 3 450 . 1 1 34 34 PHE HE1 H 1 7.367 0.020 . 1 . . . A 34 PHE HE1 . 34108 3 451 . 1 1 34 34 PHE HE2 H 1 7.367 0.020 . 1 . . . A 34 PHE HE2 . 34108 3 452 . 1 1 34 34 PHE C C 13 177.200 0.400 . 1 . . . A 34 PHE C . 34108 3 453 . 1 1 34 34 PHE CA C 13 60.668 0.400 . 1 . . . A 34 PHE CA . 34108 3 454 . 1 1 34 34 PHE CB C 13 38.338 0.400 . 1 . . . A 34 PHE CB . 34108 3 455 . 1 1 34 34 PHE CD1 C 13 131.782 0.400 . 3 . . . A 34 PHE CD1 . 34108 3 456 . 1 1 34 34 PHE CE1 C 13 131.804 0.400 . 3 . . . A 34 PHE CE1 . 34108 3 457 . 1 1 34 34 PHE N N 15 116.906 0.400 . 1 . . . A 34 PHE N . 34108 3 458 . 1 1 35 35 HIS H H 1 8.041 0.020 . 1 . . . A 35 HIS H . 34108 3 459 . 1 1 35 35 HIS HA H 1 4.275 0.020 . 1 . . . A 35 HIS HA . 34108 3 460 . 1 1 35 35 HIS HB2 H 1 3.278 0.020 . 2 . . . A 35 HIS HB2 . 34108 3 461 . 1 1 35 35 HIS HB3 H 1 3.205 0.020 . 2 . . . A 35 HIS HB3 . 34108 3 462 . 1 1 35 35 HIS HD2 H 1 7.053 0.020 . 1 . . . A 35 HIS HD2 . 34108 3 463 . 1 1 35 35 HIS HE1 H 1 8.100 0.020 . 1 . . . A 35 HIS HE1 . 34108 3 464 . 1 1 35 35 HIS C C 13 177.183 0.400 . 1 . . . A 35 HIS C . 34108 3 465 . 1 1 35 35 HIS CA C 13 58.994 0.400 . 1 . . . A 35 HIS CA . 34108 3 466 . 1 1 35 35 HIS CB C 13 27.946 0.400 . 1 . . . A 35 HIS CB . 34108 3 467 . 1 1 35 35 HIS CD2 C 13 118.312 0.400 . 1 . . . A 35 HIS CD2 . 34108 3 468 . 1 1 35 35 HIS CE1 C 13 138.648 0.400 . 1 . . . A 35 HIS CE1 . 34108 3 469 . 1 1 35 35 HIS N N 15 118.050 0.400 . 1 . . . A 35 HIS N . 34108 3 470 . 1 1 36 36 LEU H H 1 8.136 0.020 . 1 . . . A 36 LEU H . 34108 3 471 . 1 1 36 36 LEU HA H 1 4.043 0.020 . 1 . . . A 36 LEU HA . 34108 3 472 . 1 1 36 36 LEU HB2 H 1 1.835 0.020 . 2 . . . A 36 LEU HB2 . 34108 3 473 . 1 1 36 36 LEU HB3 H 1 1.500 0.020 . 2 . . . A 36 LEU HB3 . 34108 3 474 . 1 1 36 36 LEU HG H 1 1.724 0.020 . 1 . . . A 36 LEU HG . 34108 3 475 . 1 1 36 36 LEU HD11 H 1 0.947 0.020 . 2 . . . A 36 LEU HD11 . 34108 3 476 . 1 1 36 36 LEU HD12 H 1 0.947 0.020 . 2 . . . A 36 LEU HD12 . 34108 3 477 . 1 1 36 36 LEU HD13 H 1 0.947 0.020 . 2 . . . A 36 LEU HD13 . 34108 3 478 . 1 1 36 36 LEU HD21 H 1 0.864 0.020 . 2 . . . A 36 LEU HD21 . 34108 3 479 . 1 1 36 36 LEU HD22 H 1 0.864 0.020 . 2 . . . A 36 LEU HD22 . 34108 3 480 . 1 1 36 36 LEU HD23 H 1 0.864 0.020 . 2 . . . A 36 LEU HD23 . 34108 3 481 . 1 1 36 36 LEU C C 13 178.103 0.400 . 1 . . . A 36 LEU C . 34108 3 482 . 1 1 36 36 LEU CA C 13 57.319 0.400 . 1 . . . A 36 LEU CA . 34108 3 483 . 1 1 36 36 LEU CB C 13 41.234 0.400 . 1 . . . A 36 LEU CB . 34108 3 484 . 1 1 36 36 LEU CG C 13 26.680 0.400 . 1 . . . A 36 LEU CG . 34108 3 485 . 1 1 36 36 LEU CD1 C 13 25.454 0.400 . 2 . . . A 36 LEU CD1 . 34108 3 486 . 1 1 36 36 LEU CD2 C 13 23.309 0.400 . 2 . . . A 36 LEU CD2 . 34108 3 487 . 1 1 36 36 LEU N N 15 119.526 0.400 . 1 . . . A 36 LEU N . 34108 3 488 . 1 1 37 37 MET H H 1 8.098 0.020 . 1 . . . A 37 MET H . 34108 3 489 . 1 1 37 37 MET HA H 1 4.065 0.020 . 1 . . . A 37 MET HA . 34108 3 490 . 1 1 37 37 MET HB2 H 1 1.650 0.020 . 2 . . . A 37 MET HB2 . 34108 3 491 . 1 1 37 37 MET HB3 H 1 1.893 0.020 . 2 . . . A 37 MET HB3 . 34108 3 492 . 1 1 37 37 MET HG2 H 1 2.478 0.020 . 2 . . . A 37 MET HG2 . 34108 3 493 . 1 1 37 37 MET HG3 H 1 2.248 0.020 . 2 . . . A 37 MET HG3 . 34108 3 494 . 1 1 37 37 MET HE1 H 1 1.988 0.020 . 1 . . . A 37 MET HE1 . 34108 3 495 . 1 1 37 37 MET HE2 H 1 1.988 0.020 . 1 . . . A 37 MET HE2 . 34108 3 496 . 1 1 37 37 MET HE3 H 1 1.988 0.020 . 1 . . . A 37 MET HE3 . 34108 3 497 . 1 1 37 37 MET C C 13 178.526 0.400 . 1 . . . A 37 MET C . 34108 3 498 . 1 1 37 37 MET CA C 13 57.435 0.400 . 1 . . . A 37 MET CA . 34108 3 499 . 1 1 37 37 MET CG C 13 32.208 0.400 . 1 . . . A 37 MET CG . 34108 3 500 . 1 1 37 37 MET CE C 13 17.218 0.400 . 1 . . . A 37 MET CE . 34108 3 501 . 1 1 37 37 MET N N 15 116.992 0.400 . 1 . . . A 37 MET N . 34108 3 502 . 1 1 38 38 LEU H H 1 7.631 0.020 . 1 . . . A 38 LEU H . 34108 3 503 . 1 1 38 38 LEU HA H 1 4.141 0.020 . 1 . . . A 38 LEU HA . 34108 3 504 . 1 1 38 38 LEU HB2 H 1 1.787 0.020 . 2 . . . A 38 LEU HB2 . 34108 3 505 . 1 1 38 38 LEU HB3 H 1 1.613 0.020 . 2 . . . A 38 LEU HB3 . 34108 3 506 . 1 1 38 38 LEU HG H 1 1.612 0.020 . 1 . . . A 38 LEU HG . 34108 3 507 . 1 1 38 38 LEU HD11 H 1 0.847 0.020 . 2 . . . A 38 LEU HD11 . 34108 3 508 . 1 1 38 38 LEU HD12 H 1 0.847 0.020 . 2 . . . A 38 LEU HD12 . 34108 3 509 . 1 1 38 38 LEU HD13 H 1 0.847 0.020 . 2 . . . A 38 LEU HD13 . 34108 3 510 . 1 1 38 38 LEU HD21 H 1 0.876 0.020 . 2 . . . A 38 LEU HD21 . 34108 3 511 . 1 1 38 38 LEU HD22 H 1 0.876 0.020 . 2 . . . A 38 LEU HD22 . 34108 3 512 . 1 1 38 38 LEU HD23 H 1 0.876 0.020 . 2 . . . A 38 LEU HD23 . 34108 3 513 . 1 1 38 38 LEU C C 13 179.401 0.400 . 1 . . . A 38 LEU C . 34108 3 514 . 1 1 38 38 LEU CA C 13 57.178 0.400 . 1 . . . A 38 LEU CA . 34108 3 515 . 1 1 38 38 LEU CB C 13 41.491 0.400 . 1 . . . A 38 LEU CB . 34108 3 516 . 1 1 38 38 LEU CG C 13 26.520 0.400 . 1 . . . A 38 LEU CG . 34108 3 517 . 1 1 38 38 LEU CD1 C 13 23.430 0.400 . 2 . . . A 38 LEU CD1 . 34108 3 518 . 1 1 38 38 LEU CD2 C 13 24.873 0.400 . 2 . . . A 38 LEU CD2 . 34108 3 519 . 1 1 38 38 LEU N N 15 120.432 0.400 . 1 . . . A 38 LEU N . 34108 3 520 . 1 1 39 39 LEU H H 1 7.904 0.020 . 1 . . . A 39 LEU H . 34108 3 521 . 1 1 39 39 LEU HA H 1 4.147 0.020 . 1 . . . A 39 LEU HA . 34108 3 522 . 1 1 39 39 LEU HB2 H 1 1.842 0.020 . 2 . . . A 39 LEU HB2 . 34108 3 523 . 1 1 39 39 LEU HB3 H 1 1.699 0.020 . 2 . . . A 39 LEU HB3 . 34108 3 524 . 1 1 39 39 LEU HG H 1 1.756 0.020 . 1 . . . A 39 LEU HG . 34108 3 525 . 1 1 39 39 LEU HD11 H 1 0.925 0.020 . 2 . . . A 39 LEU HD11 . 34108 3 526 . 1 1 39 39 LEU HD12 H 1 0.925 0.020 . 2 . . . A 39 LEU HD12 . 34108 3 527 . 1 1 39 39 LEU HD13 H 1 0.925 0.020 . 2 . . . A 39 LEU HD13 . 34108 3 528 . 1 1 39 39 LEU HD21 H 1 0.899 0.020 . 2 . . . A 39 LEU HD21 . 34108 3 529 . 1 1 39 39 LEU HD22 H 1 0.899 0.020 . 2 . . . A 39 LEU HD22 . 34108 3 530 . 1 1 39 39 LEU HD23 H 1 0.899 0.020 . 2 . . . A 39 LEU HD23 . 34108 3 531 . 1 1 39 39 LEU C C 13 177.942 0.400 . 1 . . . A 39 LEU C . 34108 3 532 . 1 1 39 39 LEU CA C 13 56.980 0.400 . 1 . . . A 39 LEU CA . 34108 3 533 . 1 1 39 39 LEU CB C 13 41.734 0.400 . 1 . . . A 39 LEU CB . 34108 3 534 . 1 1 39 39 LEU CG C 13 26.684 0.400 . 1 . . . A 39 LEU CG . 34108 3 535 . 1 1 39 39 LEU CD1 C 13 24.683 0.400 . 2 . . . A 39 LEU CD1 . 34108 3 536 . 1 1 39 39 LEU CD2 C 13 23.723 0.400 . 2 . . . A 39 LEU CD2 . 34108 3 537 . 1 1 39 39 LEU N N 15 120.034 0.400 . 1 . . . A 39 LEU N . 34108 3 538 . 1 1 40 40 ALA H H 1 8.175 0.020 . 1 . . . A 40 ALA H . 34108 3 539 . 1 1 40 40 ALA HA H 1 4.064 0.020 . 1 . . . A 40 ALA HA . 34108 3 540 . 1 1 40 40 ALA HB1 H 1 1.504 0.020 . 1 . . . A 40 ALA HB1 . 34108 3 541 . 1 1 40 40 ALA HB2 H 1 1.504 0.020 . 1 . . . A 40 ALA HB2 . 34108 3 542 . 1 1 40 40 ALA HB3 H 1 1.504 0.020 . 1 . . . A 40 ALA HB3 . 34108 3 543 . 1 1 40 40 ALA C C 13 178.471 0.400 . 1 . . . A 40 ALA C . 34108 3 544 . 1 1 40 40 ALA CA C 13 54.058 0.400 . 1 . . . A 40 ALA CA . 34108 3 545 . 1 1 40 40 ALA CB C 13 18.247 0.400 . 1 . . . A 40 ALA CB . 34108 3 546 . 1 1 40 40 ALA N N 15 120.017 0.400 . 1 . . . A 40 ALA N . 34108 3 547 . 1 1 41 41 GLY H H 1 7.996 0.020 . 1 . . . A 41 GLY H . 34108 3 548 . 1 1 41 41 GLY HA2 H 1 3.922 0.020 . 2 . . . A 41 GLY HA2 . 34108 3 549 . 1 1 41 41 GLY C C 13 174.921 0.400 . 1 . . . A 41 GLY C . 34108 3 550 . 1 1 41 41 GLY CA C 13 46.016 0.400 . 1 . . . A 41 GLY CA . 34108 3 551 . 1 1 41 41 GLY N N 15 104.130 0.400 . 1 . . . A 41 GLY N . 34108 3 552 . 1 1 42 42 CYS H H 1 7.958 0.020 . 1 . . . A 42 CYS H . 34108 3 553 . 1 1 42 42 CYS HA H 1 4.341 0.020 . 1 . . . A 42 CYS HA . 34108 3 554 . 1 1 42 42 CYS HB2 H 1 3.013 0.020 . 2 . . . A 42 CYS HB2 . 34108 3 555 . 1 1 42 42 CYS HB3 H 1 3.074 0.020 . 2 . . . A 42 CYS HB3 . 34108 3 556 . 1 1 42 42 CYS C C 13 174.872 0.400 . 1 . . . A 42 CYS C . 34108 3 557 . 1 1 42 42 CYS CA C 13 60.084 0.400 . 1 . . . A 42 CYS CA . 34108 3 558 . 1 1 42 42 CYS CB C 13 27.591 0.400 . 1 . . . A 42 CYS CB . 34108 3 559 . 1 1 42 42 CYS N N 15 117.699 0.400 . 1 . . . A 42 CYS N . 34108 3 560 . 1 1 43 43 ILE H H 1 7.670 0.020 . 1 . . . A 43 ILE H . 34108 3 561 . 1 1 43 43 ILE HA H 1 4.069 0.020 . 1 . . . A 43 ILE HA . 34108 3 562 . 1 1 43 43 ILE HB H 1 1.934 0.020 . 1 . . . A 43 ILE HB . 34108 3 563 . 1 1 43 43 ILE HG12 H 1 1.571 0.020 . 2 . . . A 43 ILE HG12 . 34108 3 564 . 1 1 43 43 ILE HG13 H 1 1.219 0.020 . 2 . . . A 43 ILE HG13 . 34108 3 565 . 1 1 43 43 ILE HG21 H 1 0.897 0.020 . 1 . . . A 43 ILE HG21 . 34108 3 566 . 1 1 43 43 ILE HG22 H 1 0.897 0.020 . 1 . . . A 43 ILE HG22 . 34108 3 567 . 1 1 43 43 ILE HG23 H 1 0.897 0.020 . 1 . . . A 43 ILE HG23 . 34108 3 568 . 1 1 43 43 ILE HD11 H 1 0.859 0.020 . 1 . . . A 43 ILE HD11 . 34108 3 569 . 1 1 43 43 ILE HD12 H 1 0.859 0.020 . 1 . . . A 43 ILE HD12 . 34108 3 570 . 1 1 43 43 ILE HD13 H 1 0.859 0.020 . 1 . . . A 43 ILE HD13 . 34108 3 571 . 1 1 43 43 ILE C C 13 175.367 0.400 . 1 . . . A 43 ILE C . 34108 3 572 . 1 1 43 43 ILE CA C 13 61.669 0.400 . 1 . . . A 43 ILE CA . 34108 3 573 . 1 1 43 43 ILE CB C 13 38.210 0.400 . 1 . . . A 43 ILE CB . 34108 3 574 . 1 1 43 43 ILE CG1 C 13 27.725 0.400 . 1 . . . A 43 ILE CG1 . 34108 3 575 . 1 1 43 43 ILE CG2 C 13 17.423 0.400 . 1 . . . A 43 ILE CG2 . 34108 3 576 . 1 1 43 43 ILE CD1 C 13 13.042 0.400 . 1 . . . A 43 ILE CD1 . 34108 3 577 . 1 1 43 43 ILE N N 15 118.930 0.400 . 1 . . . A 43 ILE N . 34108 3 578 . 1 1 44 44 LYS H H 1 8.107 0.020 . 1 . . . A 44 LYS H . 34108 3 579 . 1 1 44 44 LYS HA H 1 4.193 0.020 . 1 . . . A 44 LYS HA . 34108 3 580 . 1 1 44 44 LYS HB2 H 1 1.700 0.020 . 2 . . . A 44 LYS HB2 . 34108 3 581 . 1 1 44 44 LYS HB3 H 1 1.700 0.020 . 2 . . . A 44 LYS HB3 . 34108 3 582 . 1 1 44 44 LYS HG2 H 1 1.301 0.020 . 2 . . . A 44 LYS HG2 . 34108 3 583 . 1 1 44 44 LYS HG3 H 1 1.214 0.020 . 2 . . . A 44 LYS HG3 . 34108 3 584 . 1 1 44 44 LYS HD2 H 1 1.615 0.020 . 2 . . . A 44 LYS HD2 . 34108 3 585 . 1 1 44 44 LYS HD3 H 1 1.615 0.020 . 2 . . . A 44 LYS HD3 . 34108 3 586 . 1 1 44 44 LYS HE2 H 1 2.939 0.020 . 2 . . . A 44 LYS HE2 . 34108 3 587 . 1 1 44 44 LYS HE3 H 1 2.939 0.020 . 2 . . . A 44 LYS HE3 . 34108 3 588 . 1 1 44 44 LYS C C 13 175.995 0.400 . 1 . . . A 44 LYS C . 34108 3 589 . 1 1 44 44 LYS CA C 13 56.484 0.400 . 1 . . . A 44 LYS CA . 34108 3 590 . 1 1 44 44 LYS CB C 13 32.523 0.400 . 1 . . . A 44 LYS CB . 34108 3 591 . 1 1 44 44 LYS CG C 13 24.393 0.400 . 1 . . . A 44 LYS CG . 34108 3 592 . 1 1 44 44 LYS CD C 13 28.835 0.400 . 1 . . . A 44 LYS CD . 34108 3 593 . 1 1 44 44 LYS CE C 13 41.838 0.400 . 1 . . . A 44 LYS CE . 34108 3 594 . 1 1 44 44 LYS N N 15 121.979 0.400 . 1 . . . A 44 LYS N . 34108 3 595 . 1 1 45 45 TYR H H 1 7.981 0.020 . 1 . . . A 45 TYR H . 34108 3 596 . 1 1 45 45 TYR HA H 1 4.511 0.020 . 1 . . . A 45 TYR HA . 34108 3 597 . 1 1 45 45 TYR HB2 H 1 3.106 0.020 . 2 . . . A 45 TYR HB2 . 34108 3 598 . 1 1 45 45 TYR HB3 H 1 2.952 0.020 . 2 . . . A 45 TYR HB3 . 34108 3 599 . 1 1 45 45 TYR HD1 H 1 7.146 0.020 . 1 . . . A 45 TYR HD1 . 34108 3 600 . 1 1 45 45 TYR HD2 H 1 7.146 0.020 . 1 . . . A 45 TYR HD2 . 34108 3 601 . 1 1 45 45 TYR HE1 H 1 6.850 0.020 . 1 . . . A 45 TYR HE1 . 34108 3 602 . 1 1 45 45 TYR HE2 H 1 6.850 0.020 . 1 . . . A 45 TYR HE2 . 34108 3 603 . 1 1 45 45 TYR C C 13 175.829 0.400 . 1 . . . A 45 TYR C . 34108 3 604 . 1 1 45 45 TYR CA C 13 57.970 0.400 . 1 . . . A 45 TYR CA . 34108 3 605 . 1 1 45 45 TYR CB C 13 38.793 0.400 . 1 . . . A 45 TYR CB . 34108 3 606 . 1 1 45 45 TYR CD1 C 13 132.796 0.400 . 3 . . . A 45 TYR CD1 . 34108 3 607 . 1 1 45 45 TYR CE1 C 13 117.868 0.400 . 3 . . . A 45 TYR CE1 . 34108 3 608 . 1 1 45 45 TYR N N 15 119.438 0.400 . 1 . . . A 45 TYR N . 34108 3 609 . 1 1 46 46 GLY H H 1 8.187 0.020 . 1 . . . A 46 GLY H . 34108 3 610 . 1 1 46 46 GLY HA2 H 1 3.881 0.020 . 2 . . . A 46 GLY HA2 . 34108 3 611 . 1 1 46 46 GLY C C 13 173.419 0.400 . 1 . . . A 46 GLY C . 34108 3 612 . 1 1 46 46 GLY CA C 13 45.136 0.400 . 1 . . . A 46 GLY CA . 34108 3 613 . 1 1 46 46 GLY N N 15 109.698 0.400 . 1 . . . A 46 GLY N . 34108 3 614 . 1 1 47 47 ARG H H 1 8.094 0.020 . 1 . . . A 47 ARG H . 34108 3 615 . 1 1 47 47 ARG HA H 1 4.366 0.020 . 1 . . . A 47 ARG HA . 34108 3 616 . 1 1 47 47 ARG HB2 H 1 1.953 0.020 . 2 . . . A 47 ARG HB2 . 34108 3 617 . 1 1 47 47 ARG HB3 H 1 1.777 0.020 . 2 . . . A 47 ARG HB3 . 34108 3 618 . 1 1 47 47 ARG HG2 H 1 1.673 0.020 . 2 . . . A 47 ARG HG2 . 34108 3 619 . 1 1 47 47 ARG HG3 H 1 1.673 0.020 . 2 . . . A 47 ARG HG3 . 34108 3 620 . 1 1 47 47 ARG HD2 H 1 3.217 0.020 . 2 . . . A 47 ARG HD2 . 34108 3 621 . 1 1 47 47 ARG HD3 H 1 3.217 0.020 . 2 . . . A 47 ARG HD3 . 34108 3 622 . 1 1 47 47 ARG C C 13 175.466 0.400 . 1 . . . A 47 ARG C . 34108 3 623 . 1 1 47 47 ARG CA C 13 55.627 0.400 . 1 . . . A 47 ARG CA . 34108 3 624 . 1 1 47 47 ARG CB C 13 30.771 0.400 . 1 . . . A 47 ARG CB . 34108 3 625 . 1 1 47 47 ARG CG C 13 26.855 0.400 . 1 . . . A 47 ARG CG . 34108 3 626 . 1 1 47 47 ARG CD C 13 43.143 0.400 . 1 . . . A 47 ARG CD . 34108 3 627 . 1 1 47 47 ARG N N 15 119.827 0.400 . 1 . . . A 47 ARG N . 34108 3 628 . 1 1 48 48 GLY H H 1 8.015 0.020 . 1 . . . A 48 GLY H . 34108 3 629 . 1 1 48 48 GLY HA2 H 1 3.869 0.020 . 2 . . . A 48 GLY HA2 . 34108 3 630 . 1 1 48 48 GLY C C 13 176.133 0.400 . 1 . . . A 48 GLY C . 34108 3 631 . 1 1 48 48 GLY CA C 13 45.831 0.400 . 1 . . . A 48 GLY CA . 34108 3 632 . 1 1 48 48 GLY N N 15 115.598 0.400 . 1 . . . A 48 GLY N . 34108 3 stop_ save_